466	622	863	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:O-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O)	O[6](C[6]C[6]CC)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]C)	113.9270	0.000	1	113.9270	0.000	1	112.3430	5.018	2	112.3430	5.018	2	110.4317	13.469	3	110.4317	13.469	3
466	622	863	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:O-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O)	O[6](C[6]C[3x6]C[6a]H)(C[6]C[6]CO)	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>}	O[6](C[6]C[3x6]C[6a]H)(C[6]C[6]CO){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	O(C[6]C[6]O[6]C)	110.7590	0.000	1	110.7590	0.000	1	112.3430	5.018	2	112.3430	5.018	2	110.4317	13.469	3	110.4317	13.469	3
466	622	863	0:SP3_SP2_SP3	C[6]	O[6]	O	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:O-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(O)	O[6](C[6]C[5]C[6]O)(C[6]C[6]CC)	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>}	O[6](C[6]C[5]C[6]O)(C[6]C[6]CC){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5]C[6]O[6])	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	110.4317	13.469	3	110.4317	13.469	3
466	622	887	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:3:1:	4:4:	4:4:1:	C[3,6]-4:O[6]-2:S-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[3x6]-4:O-1:	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6,6])(SC[3x6]O)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HS)	S(C[6]C[3,6]O[6]H)(C[3x6]C[6,6]3)(O)	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6,6])(SC[3x6]O)(H){2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HS){1|C<4>,3|O<2>,4|H<1>}	S(C[6]C[3,6]O[6]H)(C[3x6]C[6,6]3)(O)	99.3225	0.000	1	99.3225	0.000	1	99.3225	0.000	1	105.9845	16.279	5	105.9845	16.279	5	105.9845	16.279	5
466	622	887	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:3:1:	4:4:	4:4:1:	C[6]-4:O[6]-2:S-3:H-1:	C[6,6]-4:C[6]-4:	C[3x6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[3x6]O)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,3|O<2>,4|H<1>}	S(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)(O)	109.0790	1.056	2	109.0790	1.116	2	109.0790	1.116	2	105.9845	16.279	5	105.9845	16.279	5	105.9845	16.279	5
466	622	887	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:3:1:	4:4:	4:4:1:	C[6]-4:O[6]-2:S-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,3|O<2>,4|H<1>}	S(C[6]C[6]O[6]H)(CCHH)(O)	106.2210	0.594	2	106.2210	0.353	2	106.2210	0.353	2	105.9845	16.279	5	105.9845	16.279	5	105.9845	16.279	5
466	622	893	0:SP3_SP2_SP2	C[6,6]	O[6]	O	4:2:4:2:	3:4:	4:3:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:	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])	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,3|O<2>}	O(C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]2)	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	107.7797	3.528	8
466	622	893	0:SP3_SP2_SP2	C[6]	O[6]	O	2:4:2:1:	3:4:	4:3:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]O[6]H)(CCO)	108.6140	0.000	1	108.6140	0.000	1	108.6905	0.012	2	108.6905	0.012	2	107.4300	2.974	7	107.7797	3.528	8
466	622	893	0:SP3_SP2_SP2	C[6]	O[6]	O	2:4:2:1:	3:4:	4:3:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	108.7670	0.000	1	108.7670	0.000	1	108.6905	0.012	2	108.6905	0.012	2	107.4300	2.974	7	107.7797	3.528	8
466	622	893	0:SP3_SP2_SP2	C[6]	O[6]	O	4:2:2:1:	3:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	108.0930	0.000	1	108.0930	0.000	1	108.0930	0.000	1	107.4335	0.870	2	107.4300	2.974	7	107.7797	3.528	8
466	622	893	0:SP3_SP2_SP2	C[6]	O[6]	O	4:2:2:1:	3:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[5a]C[6])(C[6]C[6]HO)	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>}	O[6](C[6]C[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<2>,1|S<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CCH)	106.7740	0.000	1	106.7740	0.000	1	106.7740	0.000	1	107.4335	0.870	2	107.4300	2.974	7	107.7797	3.528	8
466	622	893	0:SP3_SP2_SP2	C[6]	O[6]	O	4:2:2:1:	4:3:	4:3:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-3:	C[6](C[6,6]C[6]3)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]C)	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>}	O[6](C[6]C[6,6]HO)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]O[6]H)(CCO)	105.2430	0.901	2	105.2430	0.812	2	105.2430	0.812	2	106.5873	5.827	3	107.4300	2.974	7	107.7797	3.528	8
466	622	893	0:SP3_SP2_SP2	C[6]	O[6]	O	4:2:2:1:	4:3:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]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>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]O[6]H)(CCO)	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	106.5873	5.827	3	107.4300	2.974	7	107.7797	3.528	8
466	622	893	0:SP3_SP2_SP3	C[3x6]	O[6]	O	4:4:2:2:	4:3:	4:1:	C[5,4x6]-4:C[6,6]-4:O[6]-2:O-2:	C[3x6]-4:C[6]-3:	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)	O[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[5,6]O)	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>}	O[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[5,6]O){1|N<3>,3|H<1>,4|C<4>}	O(C[3x6]C[5,4x6]C[6,6]O[6])(H)	105.3710	0.000	1	105.3710	0.000	1	105.3710	0.000	1	105.3710	0.000	1	105.3710	0.000	1	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[4x6]	O[6,6]	O	4:4:2:2:	4:3:	4:1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[6,6]-3:	C[4x6]-4:H-1:	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(OH)	O[6,6](C[4x6]C[3x6]2O)(C[6,6]C[3x6]O)	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>}	O[6,6](C[4x6]C[3x6]2O)(C[6,6]C[3x6]O){3|H<1>,4|C<4>}	O(C[4x6]C[3x6]2O[6,6])(H)	105.2190	0.000	1	105.2190	0.000	1	105.2190	0.000	1	105.2190	0.000	1	105.2190	0.000	1	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6,6]	O	4:2:2:1:	4:4:	4:3:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[5,6,6]2C)(O[6,6]C[3x6])(OC)(H)	O[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]HO)	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>}	O[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]HO){1|H<1>,1|O<1>,5|C<4>}	O(C[6,6]C[3x6]O[6,6]H)(CC[6a]O)	107.4050	0.000	1	107.4050	0.000	1	107.4050	0.000	1	107.4050	0.000	1	107.4050	0.000	1	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	3:2:3:2:	3:4:	4:4:	C[6,6,6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C-4:	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)	O(C[6,6]C[6,6,6a]C[6]O[6])(CH3)	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O){2|H<1>,5|C<3>}	O(C[6,6]C[6,6,6a]C[6]O[6])(CH3)	109.1140	0.365	2	109.1140	0.133	2	109.1140	0.133	2	109.1140	0.133	2	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	3:2:4:2:	3:4:	4:1:	C[6,6]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:	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)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(H)	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	3:3:2:2:	4:3:	4:4:	C[6,6a]-3:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC)	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])	O(C[6,6]C[6,6a]C[6,6]O[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC){1|O<1>,2|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(CH3)	110.0420	0.752	2	110.0420	0.566	2	110.0420	0.566	2	110.0420	0.566	2	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	3:4:2:2:	3:4:	4:1:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	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)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	3:4:2:2:	3:4:	4:4:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	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])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O){2|O<2>,6|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	106.3635	1.518	2	106.3635	2.305	2	104.7480	4.293	4	104.7480	4.293	4	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	3:4:2:2:	3:4:	4:4:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	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])	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O){2|O<2>,6|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]N[5]O[5]H)	103.1325	0.366	2	103.1325	0.134	2	104.7480	4.293	4	104.7480	4.293	4	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:2:2:2:	3:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])2(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)	O(C[6,6]C[6,6]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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6]O[6]2)(CCHH)	106.5735	0.354	2	106.5735	0.126	2	106.5735	0.126	2	107.1500	1.060	3	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:2:2:2:	3:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	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)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)	O(C[6,6]C[6,6]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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O){1|Cl<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6,6]C[6,6]O[6]2)(SiC3)	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	107.1500	1.060	3	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:2:3:2:	3:4:	4:4:	C[6,6]-4:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]H)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(CH3)	105.1650	0.000	1	105.1650	0.000	1	105.1650	0.000	1	105.1650	0.000	1	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-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)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	110.0130	0.000	1	108.9970	2.065	2	107.5510	9.057	8	107.5510	9.057	8	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-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)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	107.9810	0.000	1	108.9970	2.065	2	107.5510	9.057	8	107.5510	9.057	8	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:	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)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	109.6590	0.000	1	109.6590	0.000	1	107.5510	9.057	8	107.5510	9.057	8	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:	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)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	104.3005	0.199	2	104.3005	0.039	2	107.5510	9.057	8	107.5510	9.057	8	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:	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)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	103.5290	0.000	1	103.5290	0.000	1	107.5510	9.057	8	107.5510	9.057	8	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:	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)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	110.0750	0.000	1	110.3125	0.113	2	107.5510	9.057	8	107.5510	9.057	8	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:	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)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	110.5500	0.000	1	110.3125	0.113	2	107.5510	9.057	8	107.5510	9.057	8	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:2:4:2:	3:4:	4:4:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:	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)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>,3|O<2>}	O(C[6,6]C[6,6]C[6]O[6])(CH3)	107.2005	0.354	2	107.2005	0.126	2	107.2005	0.126	2	107.2005	0.126	2	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:3:2:2:	3:4:	4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	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)	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(H)	110.9420	0.000	1	111.2943	0.151	4	111.2943	0.151	4	111.2943	0.151	4	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:3:2:2:	3:4:	4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	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)	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(H)	111.4117	0.380	3	111.2943	0.151	4	111.2943	0.151	4	111.2943	0.151	4	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:3:2:2:	4:2:	4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:N[6]-2:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(O[6]N[6])(OH)	O[6](C[6,6]C[6,6]C[6]O)(N[6]C[6])	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>}	O[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6,6]C[6,6]C[6]O[6])(H)	111.4010	0.000	1	111.4010	0.000	1	111.4010	0.000	1	111.4010	0.000	1	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:3:2:2:	4:3:	4:1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:H-1:	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH)	O[6](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6,6a]C[6a])	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[6,6]C[5,6]C[6,6]O[6])(H)	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	107.7705	4.208	2	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:3:2:2:	4:3:	4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-3:	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)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)	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>}	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O){1|O<1>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	107.7705	4.208	2	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:4:2:2:	3:4:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:	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)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O){2|H<1>,3|O<2>,4|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(CH3)	111.2650	0.142	4	111.2650	0.020	4	111.2650	0.020	4	111.2650	0.020	4	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:3:	4:1:	C[3,3x6]-4:C[5,6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:H-1:	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH)	O[6](C[6,6]C[3,3x6]C[5,6]O)(C[6,6]C[3x6]C[5,6])	O(C[6,6]C[3,3x6]C[5,6]O[6])(H)	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH){1|N<4>,3|C<4>,5|C<3>}	O[6](C[6,6]C[3,3x6]C[5,6]O)(C[6,6]C[3x6]C[5,6]){3|C<4>,3|O<2>,4|C<3>}	O(C[6,6]C[3,3x6]C[5,6]O[6])(H)	107.4320	0.000	1	107.4320	0.000	1	107.4320	0.000	1	108.4761	1.340	10	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:3:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-3:	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)	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])	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>}	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6]){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]O[6])(H)	109.5050	0.000	1	109.5050	0.000	1	108.5921	1.356	9	108.4761	1.340	10	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:3:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-3:	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)	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])	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>}	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	105.9670	0.000	1	105.9670	0.000	1	108.5921	1.356	9	108.4761	1.340	10	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:3:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-3:	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)	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])	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>}	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6]){2|C<3>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	108.5045	0.247	2	108.8367	0.451	7	108.5921	1.356	9	108.4761	1.340	10	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:3:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-3:	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)	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])	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>}	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6]){2|C<3>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	108.7707	0.717	4	108.8367	0.451	7	108.5921	1.356	9	108.4761	1.340	10	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:3:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-3:	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)	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])	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>}	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6]){2|C<3>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	109.7650	0.000	1	108.8367	0.451	7	108.5921	1.356	9	108.4761	1.340	10	108.4177	5.862	45	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:3:2:1:	3:4:	4:4:	O[6]-2:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	O(C[6]C[6]O[6]H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|H<1>,4|C<3>}	O(C[6]C[6]O[6]H)(CH3)	109.4810	0.000	1	109.8067	0.056	4	109.8067	0.056	4	109.8067	0.056	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:3:2:1:	3:4:	4:4:	O[6]-2:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	O(C[6]C[6]O[6]H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|H<1>,4|C<3>}	O(C[6]C[6]O[6]H)(CH3)	109.9153	0.115	3	109.8067	0.056	4	109.8067	0.056	4	109.8067	0.056	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:3:3:2:	3:4:	4:1:	O[6]-2:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){2|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:3:4:2:	3:4:	4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,4|C<3>}	O(C[6]C[6]O[6]C)(H)	108.5970	0.513	3	108.5567	0.182	4	108.9640	0.966	5	108.9640	0.966	5	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:3:4:2:	3:4:	4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|O<2>,4|C<3>}	O(C[6]C[6]O[6]C)(H)	108.4360	0.000	1	108.5567	0.182	4	108.9640	0.966	5	108.9640	0.966	5	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:3:4:2:	3:4:	4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6]C[6]O[6]C)(H)	110.5930	0.000	1	110.5930	0.000	1	108.9640	0.966	5	108.9640	0.966	5	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:3:4:2:	3:4:	4:4:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	O(C[6]C[6]O[6]C)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,4|C<3>}	O(C[6]C[6]O[6]C)(CCHH)	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:2:1:	3:4:	4:1:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(H)	104.8000	0.000	1	104.8000	0.000	1	104.8000	0.000	1	104.8000	0.000	1	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:2:1:	3:4:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)	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>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	110.8300	0.000	1	110.8300	0.000	1	108.9115	7.361	2	109.5800	4.898	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:2:1:	3:4:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)	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>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	106.9930	0.000	1	106.9930	0.000	1	108.9115	7.361	2	109.5800	4.898	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:2:1:	3:4:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(CH3)	111.6473	0.372	3	111.6473	0.138	3	109.7286	5.066	9	109.5800	4.898	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:2:1:	3:4:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	106.1225	0.815	2	106.1225	0.665	2	109.7286	5.066	9	109.5800	4.898	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:2:1:	3:4:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	109.7400	0.508	3	109.7400	0.258	3	109.7286	5.066	9	109.5800	4.898	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:2:1:	3:4:	4:4:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	111.1500	0.000	1	111.1500	0.000	1	109.7286	5.066	9	109.5800	4.898	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:2:2:	3:4:	4:4:	O[6]-2:C[6]-4:O-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(OC)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]OO)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]OO){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	O(C[6]C[6]O[6]O)(CH3)	109.7340	2.490	2	109.7340	6.202	2	109.7340	6.202	2	109.7340	6.202	2	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:3:2:	3:4:	4:1:	O[6]-2:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]C)(H)	109.9100	0.000	1	110.7355	1.363	2	109.7913	5.177	8	109.7913	5.177	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:3:2:	3:4:	4:1:	O[6]-2:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	111.5610	0.000	1	110.7355	1.363	2	109.7913	5.177	8	109.7913	5.177	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:3:2:	3:4:	4:1:	O[6]-2:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	108.6796	1.833	5	108.6796	3.361	5	109.7913	5.177	8	109.7913	5.177	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:3:2:	3:4:	4:1:	O[6]-2:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6]O[6]C)(H)	113.4610	0.000	1	113.4610	0.000	1	109.7913	5.177	8	109.7913	5.177	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:3:2:	3:4:	4:4:	O[6]-2:C[6]-4:C[5]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[5]C[6]O[6])(CH3)	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:4:2:	3:4:	4:1:	O[6]-2:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){3|C<3>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	111.2830	0.000	1	111.2830	0.000	1	109.3477	2.815	3	109.3477	2.815	3	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:4:2:	3:4:	4:1:	O[6]-2:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	108.3800	0.107	2	108.3800	0.012	2	109.3477	2.815	3	109.3477	2.815	3	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:4:2:	3:4:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CCHH)	105.4920	0.000	1	105.4920	0.000	1	108.2355	3.745	4	108.2763	2.252	6	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:4:2:	3:4:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	109.2230	0.000	1	109.1500	0.599	3	108.2355	3.745	4	108.2763	2.252	6	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:4:2:	3:4:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]O[6]C)(CH3)	109.1135	1.091	2	109.1500	0.599	3	108.2355	3.745	4	108.2763	2.252	6	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:4:2:	3:4:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:Si-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(SiC3)	108.4150	0.000	1	108.3580	0.006	2	108.3580	0.006	2	108.2763	2.252	6	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	2:4:4:2:	3:4:	4:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:Si-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(SiC3)	108.3010	0.000	1	108.3580	0.006	2	108.3580	0.006	2	108.2763	2.252	6	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	3:4:	4:1:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)	O(C[6]C[6,6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H){1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO){1|H<1>,4|C<3>}	O(C[6]C[6,6a]O[6]H)(H)	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	3:4:	4:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HO)	O(C[6]C[6,6a]O[6]H)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HO){1|O<2>,4|C<3>}	O(C[6]C[6,6a]O[6]H)(CH3)	110.4575	0.170	2	110.4575	0.029	2	110.4575	0.029	2	110.4575	0.029	2	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	4:3:	4:1:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]O)	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]HO)(C[6]C[6]O){1|H<1>,2|C<3>}	O(C[6]C[6,6]O[6]H)(H)	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	108.2330	1.890	3	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	4:3:	4:1:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6,6a]O)	O(C[6]C[6,6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H){1|H<1>,1|O<1>,3|C<3>}	O[6](C[6]C[6,6a]HO)(C[6]C[6,6a]O){3|C<3>}	O(C[6]C[6,6a]O[6]H)(H)	107.7265	1.497	2	107.7265	2.241	2	107.7265	2.241	2	108.2330	1.890	3	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	4:3:	4:4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]C)	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H){1|C<4>,1|O<1>,3|C<3>}	O[6](C[6]C[6,6]HO)(C[6]C[6]C){1|H<1>,2|C<3>}	O(C[6]C[6,6]O[6]H)(CH3)	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	110.1209	0.697	12	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	4:3:	4:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6]C)	O(C[6]C[6,6a]O[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HO)(C[6]C[6]C){1|I<1>,2|C<3>}	O(C[6]C[6,6a]O[6]H)(CCHH)	110.0877	0.583	6	110.0877	0.340	6	110.1384	0.272	8	110.1209	0.697	12	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	4:3:	4:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6]C)	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HO)(C[6]C[6]C){1|I<1>,2|C<3>}	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	110.2905	0.377	2	110.2905	0.142	2	110.1384	0.272	8	110.1209	0.697	12	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	4:3:	4:4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]C)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	110.6050	0.000	1	110.6050	0.000	1	109.9510	2.767	3	110.1209	0.697	12	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	4:3:	4:4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<4>,2|C<3>}	O(C[6]C[6]O[6]H)(CH3)	108.0600	0.000	1	108.0600	0.000	1	109.9510	2.767	3	110.1209	0.697	12	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	4:3:	4:4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]O)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]HO)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	111.1880	0.000	1	111.1880	0.000	1	109.9510	2.767	3	110.1209	0.697	12	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	O(C[6]C[6]O[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	111.1840	1.837	3	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6,6a]C)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C)(O[6]C[6])(OC[6a])(H){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO){3|C<3>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	110.8630	0.000	1	110.8630	0.000	1	111.7670	1.634	2	111.1840	1.837	3	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:3:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	112.6710	0.000	1	112.6710	0.000	1	111.7670	1.634	2	111.1840	1.837	3	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:3:2:	3:4:	4:1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	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]C)(OH){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|Cl<1>,6|C<3>}	O(C[6]C[6a]C[6]O[6])(H)	106.8270	0.000	1	106.8270	0.000	1	108.6608	1.751	5	108.6608	1.751	5	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:3:2:	3:4:	4:1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	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]S)(OH){1|Br<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|S<4>,5|C<3>}	O(C[6]C[6a]C[6]O[6])(H)	108.3265	0.480	2	109.1192	0.933	4	108.6608	1.751	5	108.6608	1.751	5	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:3:2:	3:4:	4:1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	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]S)(OH){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|S<4>,5|C<3>}	O(C[6]C[6a]C[6]O[6])(H)	109.9120	0.235	2	109.1192	0.933	4	108.6608	1.751	5	108.6608	1.751	5	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:3:2:	3:4:	4:4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]C[6]O)	O(C[6]C[6a]C[6]O[6])(CCHH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC){2|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]C[6]O){1|C<4>,1|H<1>,5|C<3>}	O(C[6]C[6a]C[6]O[6])(CCHH)	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	109.3773	0.142	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:3:2:	3:4:	4:4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,1|O<2>,5|C<3>}	O(C[6]C[6a]C[6]O[6])(CCCH)	109.2130	0.264	2	109.2053	0.035	3	109.2053	0.035	3	109.3773	0.142	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:3:2:	3:4:	4:4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){2|H<1>,5|C<3>}	O(C[6]C[6a]C[6]O[6])(CCCH)	109.1900	0.000	1	109.2053	0.035	3	109.2053	0.035	3	109.3773	0.142	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:4:2:	3:4:	4:1:	C[6,6a]-3:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)	O(C[6]C[6,6a]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO){1|H<1>,4|C<3>}	O(C[6]C[6,6a]O[6]C)(H)	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	108.9745	6.054	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:4:2:	3:4:	4:1:	C[6]-3:O[6]-2:C-4:O-2:	C[6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH)	O[6](C[6]C[6a]C[6])(C[6]C[6]CO)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]CO){1|H<1>,4|C<3>}	O(C[6]C[6]O[6]C)(H)	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	108.9745	6.054	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:4:2:	3:4:	4:1:	C[6]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(OH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]2O)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]2O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	O(C[6]C[6]2O[6])(H)	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	108.9745	6.054	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:4:2:	3:4:	4:1:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|S<4>,2|H<1>,5|C<3>}	O(C[6]C[6a]C[6]O[6])(H)	105.9190	0.000	1	105.9190	0.000	1	105.9190	0.000	1	108.9745	6.054	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:4:2:	3:4:	4:4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6a]C[6]O[6])(CH3)	109.8295	0.189	2	109.6803	0.085	3	109.6803	0.085	3	109.2050	0.469	5	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:4:2:	3:4:	4:4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6a]C[6]O[6])(CH3)	109.3820	0.000	1	109.6803	0.085	3	109.6803	0.085	3	109.2050	0.469	5	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:4:2:	3:4:	4:4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:Si-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6]C[6a]C[6]O[6])(SiC3)	108.4130	0.000	1	108.4920	0.012	2	108.4920	0.012	2	109.2050	0.469	5	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:2:4:2:	3:4:	4:4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:Si-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6]C[6a]C[6]O[6])(SiC3)	108.5710	0.000	1	108.4920	0.012	2	108.4920	0.012	2	109.2050	0.469	5	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:3:2:2:	3:4:	4:4:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|H<1>,6|C<3>}	O(C[6]C[6a]C[6]O[6])(CCCH)	106.6750	0.408	3	106.8323	0.210	4	106.8323	0.210	4	106.8323	0.210	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:3:2:2:	3:4:	4:4:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O){1|O<2>,6|C<3>}	O(C[6]C[6a]C[6]O[6])(CCCH)	107.3040	0.000	1	106.8323	0.210	4	106.8323	0.210	4	106.8323	0.210	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:4:2:2:	3:4:	4:1:	C[6]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]2O)	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>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]2O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2O[6])(H)	108.7625	0.590	2	108.7625	0.349	2	108.7625	0.349	2	108.7625	0.349	2	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:4:2:2:	4:2:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:N[6]-2:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH)	O[6](C[6]C[6a]C[6]O)(N[6]C[6])	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>}	O[6](C[6]C[6a]C[6]O)(N[6]C[6]){1|N<3>,2|C<4>,3|C<3>}	O(C[6]C[6a]C[6]O[6])(H)	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	3:4:2:2:	4:2:	4:3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:N[6]-2:	C[6]-4:N[5a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a])	O[6](C[6]C[6a]C[6]O)(N[6]C[6])	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>}	O[6](C[6]C[6a]C[6]O)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]O[6])(N[5a]C[5a]2)	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	109.7110	0.000	1	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]O[6]H)(H)	110.2805	0.354	2	109.8492	0.496	4	109.8492	0.496	4	110.0084	0.816	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6]O[6]H)(H)	109.4180	0.786	2	109.8492	0.496	4	109.8492	0.496	4	110.0084	0.816	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)	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>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	O(C[6]C[6]O[6]H)(H)	110.0375	0.582	2	110.0375	0.339	2	110.0375	0.339	2	110.0084	0.816	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(H)	111.8310	0.000	1	111.8310	0.000	1	110.8687	0.863	3	110.0084	0.816	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(H)	110.3875	0.581	2	110.3875	0.337	2	110.8687	0.863	3	110.0084	0.816	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]HO)	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>}	O[6](C[6]C[6,6a]O)(C[6]C[6]HO){2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	109.3830	0.000	1	109.3830	0.000	1	109.0070	0.283	2	110.0084	0.816	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]HO)	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>}	O[6](C[6]C[6a]C[6])(C[6]C[6]HO){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]O[6]H)(H)	108.6310	0.000	1	108.6310	0.000	1	109.0070	0.283	2	110.0084	0.816	11	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[3x6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HO){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[3x6]O[6]H)(CH3)	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	109.1488	3.841	15	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)	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>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	109.1488	3.841	15	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HO)	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>}	O[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HO){2|H<1>,5|C<4>}	O(C[6]C[6]O[6]H)(CCHH)	108.1510	0.000	1	108.1510	0.000	1	109.3045	2.661	2	109.1488	3.841	15	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	110.4580	0.000	1	110.4580	0.000	1	109.3045	2.661	2	109.1488	3.841	15	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	109.5155	1.578	4	109.5155	2.490	4	109.2404	5.202	7	109.1488	3.841	15	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	105.0920	0.000	1	105.0920	0.000	1	109.2404	5.202	7	109.1488	3.841	15	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	111.6550	0.000	1	111.6550	0.000	1	109.2404	5.202	7	109.1488	3.841	15	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|Br<1>,1|O<2>,4|C<3>}	O(C[6]C[6]O[6]H)(CH3)	109.8740	0.000	1	109.8740	0.000	1	109.2404	5.202	7	109.1488	3.841	15	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]H)(C[6]C[6]HO)	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>}	O[6](C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]O[6]H)(CCHH)	110.4040	0.000	1	110.4040	0.000	1	110.3990	0.000	2	109.1488	3.841	15	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]HO)	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>}	O[6](C[6]C[6a]C[6])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	110.3940	0.000	1	110.3940	0.000	1	110.3990	0.000	2	109.1488	3.841	15	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:C[5]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6a]N[6])(C[6]C[6]HO)	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>}	O[6](C[6]C[6a]N[6])(C[6]C[6]HO){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	107.2185	0.433	2	107.2185	0.188	2	107.2185	0.188	2	109.1488	3.841	15	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:2:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N[6]-2:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H)	O[6](C[6]C[6]HO)(N[6]C[6])	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>}	O[6](C[6]C[6]HO)(N[6]C[6]){2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	112.1030	0.000	1	112.1030	0.000	1	112.1030	0.000	1	112.1030	0.000	1	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:1:	C[3,6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OH)(H)	O[6](C[6]C[3,6,6]HO)(C[6]C[6]O)	O(C[6]C[3,6,6]O[6]H)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[3,6,6]HO)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[3,6,6]O[6]H)(H)	110.1420	0.000	1	110.1420	0.000	1	110.1420	0.000	1	108.0315	2.824	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:1:	C[3x6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H)	O[6](C[6]C[3x6]HO)(C[6]C[6,6]H)	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>}	O[6](C[6]C[3x6]HO)(C[6]C[6,6]H){2|C<3>,2|C<4>}	O(C[6]C[3x6]O[6]H)(H)	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	108.0315	2.824	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]H)	O(C[6]C[5,6]O[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[5,6]O[6]H)(H)	106.6940	0.349	2	106.6940	0.122	2	106.6940	0.122	2	108.0315	2.824	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[3,6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OC)(H)	O[6](C[6]C[3,6,6]HO)(C[6]C[6]O)	O(C[6]C[3,6,6]O[6]H)(CH3)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[3,6,6]HO)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[3,6,6]O[6]H)(CH3)	107.5910	0.000	1	107.5910	0.000	1	107.5910	0.000	1	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]O)	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	O[6](C[6]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[5,6]O[6]H)(CCHH)	113.2480	0.000	1	113.2480	0.000	1	112.3573	0.602	3	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]O)	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[5,6]O[6]H)(CCHH)	111.8310	0.000	1	111.8310	0.000	1	112.3573	0.602	3	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]O)	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	O[6](C[6]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5,6]O[6]H)(CCHH)	111.9930	0.000	1	111.9930	0.000	1	112.3573	0.602	3	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[5,6]HO)(C[6]C[5,6]H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[5,6]H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	109.3410	0.000	1	109.3410	0.000	1	108.0545	3.310	2	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H){1|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	106.7680	0.000	1	106.7680	0.000	1	108.0545	3.310	2	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	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](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]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>}	O[6](C[6]C[6,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]H)	104.2970	2.843	2	104.2970	8.080	2	104.2970	8.080	2	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	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>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<3>,3|C<4>}	O(C[6]C[6]O[6]H)(CH3)	110.7270	0.000	1	110.7270	0.000	1	110.5560	0.080	3	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]C)	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>}	O[6](C[6]C[6]HO)(C[6]C[6]C){2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	110.7120	0.000	1	110.7120	0.000	1	110.5560	0.080	3	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]C)	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>}	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	110.2290	0.000	1	110.2290	0.000	1	110.5560	0.080	3	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]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>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)2	105.9803	0.942	3	105.9803	0.887	3	109.4404	9.346	8	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]C)	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>}	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<4>,1|N<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	111.3165	1.339	4	111.3165	1.793	4	109.4404	9.346	8	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]HO)(C[6]C[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<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HO)(C[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)	112.3160	0.000	1	112.3160	0.000	1	109.4404	9.346	8	109.2925	9.288	19	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	3:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)	108.6697	0.580	3	108.6697	0.336	3	108.6697	0.336	3	107.3582	2.262	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	3:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)	104.3530	0.000	1	104.3530	0.000	1	106.5714	1.726	5	107.3582	2.262	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	3:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)	107.2880	0.000	1	107.2880	0.000	1	106.5714	1.726	5	107.3582	2.262	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	3:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)	106.6250	0.000	1	106.6250	0.000	1	106.5714	1.726	5	107.3582	2.262	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	3:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)	107.2955	0.647	2	107.2955	0.419	2	106.5714	1.726	5	107.3582	2.262	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HO)	O(C[6]C[5,6]O[6]H)(CCO)	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HO){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]O[6]H)(CCO)	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]HH)	O(C[6]C[5,6]O[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[5,6]O[6]H)(CCO)	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)	O(C[6]C[5,6]O[6]H)(C[5]C[5]2)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H){4|C<4>,4|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[5,6]HO){1|H<1>,4|C<4>}	O(C[6]C[5,6]O[6]H)(C[5]C[5]2)	104.0910	0.000	1	104.0910	0.000	1	104.0910	0.000	1	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6]C[5,3x6]O[6]H)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HO)	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>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HO){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]O[6]H)(CCO)	105.3100	0.000	1	105.3100	0.000	1	105.3100	0.000	1	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[4,6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H)	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)	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>}	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCO)	111.3167	1.231	4	111.3167	1.516	4	111.3167	1.516	4	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CCO)	103.5130	0.000	1	103.5130	0.000	1	106.1393	7.096	3	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	108.8390	0.000	1	108.8390	0.000	1	106.1393	7.096	3	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(COO)	106.0660	0.000	1	106.0660	0.000	1	106.1393	7.096	3	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCO)	110.3590	0.000	1	110.3590	0.000	1	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,4|F<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	107.1830	0.000	1	107.1830	0.000	1	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|I<1>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCO)	110.4320	0.000	1	110.4320	0.000	1	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCO)	108.0995	4.188	2	107.6375	6.192	4	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCO)	107.1755	0.426	2	107.6375	6.192	4	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCH)	107.2150	0.000	1	107.2150	0.000	1	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCN)	111.0820	0.000	1	111.1860	0.022	2	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCN)	111.2900	0.000	1	111.1860	0.022	2	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCO)	106.6130	2.885	3	107.8357	6.634	12	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(C[6]C[6]O[6]H)(CCO)	106.5125	0.209	2	107.8357	6.634	12	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCO)	108.7377	2.664	7	107.8357	6.634	12	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[6]O)	105.3800	0.000	1	105.3800	0.000	1	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCO)	105.7360	0.000	1	105.7360	0.000	1	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]C)	105.8300	0.000	1	105.8300	0.000	1	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	109.2100	0.000	1	109.2100	0.000	1	108.0113	5.746	26	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	107.5925	0.931	2	107.5925	0.867	2	109.0535	4.798	86	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	108.3800	0.600	2	108.3800	0.360	2	109.0535	4.798	86	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	110.0752	1.842	5	110.0752	3.391	5	109.0535	4.798	86	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CC)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CC)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	114.1190	0.000	1	114.1190	0.000	1	109.0535	4.798	86	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	107.1520	0.000	1	108.9758	4.753	76	109.0535	4.798	86	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	108.0840	0.000	1	108.9758	4.753	76	109.0535	4.798	86	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	109.3393	0.530	3	108.9758	4.753	76	109.0535	4.798	86	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	108.9987	2.240	71	108.9758	4.753	76	109.0535	4.798	86	108.7805	5.539	123	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:2:2:	3:4:	4:4:	C[6]-4:O[6]-2:N-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]NO)	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>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]NO){1|Cl<1>,1|C<2>,1|C<4>,3|C<3>}	O(C[6]C[6]O[6]N)(CCHH)	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:3:2:	3:4:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[5,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)	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>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO){1|N<2>,2|H<1>,3|C<4>}	O(C[6]C[6]O[6]C)(H)	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	107.0747	0.914	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:3:2:	3:4:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]O[6]C)(H)	106.3900	0.000	1	106.6037	0.040	3	106.6037	0.040	3	107.0747	0.914	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:3:2:	3:4:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]C)(H)	106.7105	0.105	2	106.6037	0.040	3	106.6037	0.040	3	107.0747	0.914	4	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:3:2:	4:3:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH)	O[6](C[6]C[6]CO)(C[6]C[6]C)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]C){1|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	108.8500	0.000	1	108.8500	0.000	1	108.1070	1.104	2	108.6160	4.673	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH)	O[6](C[6,6]C[6,6]N[6])(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]N[6])(C[6]C[6]CO){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(H)	107.3640	0.000	1	107.3640	0.000	1	108.1070	1.104	2	108.6160	4.673	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	111.7630	0.000	1	111.7630	0.000	1	108.8185	17.340	2	108.6160	4.673	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CO)	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>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	105.8740	0.000	1	105.8740	0.000	1	108.8185	17.340	2	108.6160	4.673	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH)	O[6](C[6]C[6,6a]O)(C[6]C[6]CO)	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>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CO){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]O[6]C)(H)	107.7860	0.000	1	107.7860	0.000	1	108.7692	4.525	4	108.6160	4.673	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH)	O[6](C[6]C[6,6a]O)(C[6]C[6]CO)	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>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CO){2|C<3>,2|H<1>}	O(C[6]C[6]O[6]C)(H)	107.7950	0.000	1	107.7950	0.000	1	108.7692	4.525	4	108.6160	4.673	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	3:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	O[6](C[6]C[6a]C[6])(C[6]C[6]CO)	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>}	O[6](C[6]C[6a]C[6])(C[6]C[6]CO){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]C)(H)	109.7480	3.121	2	109.7480	9.742	2	108.7692	4.525	4	108.6160	4.673	8	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	3:4:	4:4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)	O(C[6]C[5,6]O[6]C)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC){1|H<1>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]O[6]C)(CCHH)	110.5810	0.000	1	110.5810	0.000	1	110.3420	0.052	5	109.9346	0.446	9	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	3:4:	4:4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)	O(C[6]C[5,6]O[6]C)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC){1|H<1>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]O[6]C)(CCHH)	110.2823	0.214	4	110.2823	0.046	4	110.3420	0.052	5	109.9346	0.446	9	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	3:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-3:C[6]-4:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]C)(SiC3)	109.1680	0.000	1	109.1680	0.000	1	109.1680	0.000	1	109.9346	0.446	9	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	3:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6,6]C)(C[6]C[6]CO)	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>}	O[6](C[6]C[6,6]C)(C[6]C[6]CO){2|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	109.5510	0.000	1	109.5510	0.000	1	109.5110	0.703	3	109.9346	0.446	9	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	3:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6a]C[6])(C[6]C[6]CO)	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>}	O[6](C[6]C[6a]C[6])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(CH3)	109.4910	1.185	2	109.4910	1.404	2	109.5110	0.703	3	109.9346	0.446	9	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N[6]-2:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	O[6](C[6]C[6]CO)(N[6]C[6])	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>}	O[6](C[6]C[6]CO)(N[6]C[6]){2|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	110.1895	0.411	2	110.1895	0.169	2	110.1895	0.169	2	110.1895	0.169	2	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	4:3:	4:1:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH)	O[6](C[6]C[5,6]CO)(C[6]C[5,6]C)	O(C[6]C[5,6]O[6]C)(H)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	O[6](C[6]C[5,6]CO)(C[6]C[5,6]C){4|C<4>}	O(C[6]C[5,6]O[6]C)(H)	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	4:3:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CO)(C[6]C[6]C)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]C){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	109.8860	0.000	1	109.8860	0.000	1	108.4473	0.398	14	108.4473	0.398	14	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:2:4:2:	4:3:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CO)(C[6]C[6]O)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	108.3366	0.495	13	108.3366	0.245	13	108.4473	0.398	14	108.4473	0.398	14	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:3:2:2:	3:4:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O)	O(C[6]C[5,6]C[6a]O[6])(CCHH)	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O){1|Cl<1>,1|O<2>,1|S<2>,5|C<3>}	O(C[6]C[5,6]C[6a]O[6])(CCHH)	110.2910	0.000	1	110.2910	0.000	1	110.0925	0.079	2	110.0925	0.079	2	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP2_SP3	C[6]	O[6]	O	4:3:2:2:	3:4:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O)	O(C[6]C[5,6]C[6a]O[6])(CH3)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6]C[5,6]C[6a]O[6])(CH3)	109.8940	0.000	1	109.8940	0.000	1	110.0925	0.079	2	110.0925	0.079	2	109.0240	4.264	313	108.9233	4.533	361
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:2:4:2:	4:4:	4:1:	C[4x6]-4:O[6,6]-2:C[6]-4:O-2:	C[4x6]-4:C[3x6]-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)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6]O)	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>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	O(C[3x6]C[4x6]O[6,6]C[6])(H)	108.9331	0.676	8	108.9331	0.457	8	108.9331	0.457	8	108.9331	0.457	8	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:2:4:2:	4:4:	4:4:	C[4x6]-4:O[6,6]-2:C[6]-4:O-2:	C[4x6]-4:C[3x6]-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)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6]O)	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>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	O(C[3x6]C[4x6]O[6,6]C[6])(CH3)	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:3:2:2:	4:2:	4:4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[3x6]-4:O[6,6]-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)	O[6,6](C[3x6]C[6,6]2O)(O[6,6]C[3x6])	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>}	O[6,6](C[3x6]C[6,6]2O)(O[6,6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[3x6]C[6,6]2O[6,6])(SiC3)	104.0475	0.309	2	104.0475	0.095	2	104.0475	0.095	2	104.0475	0.095	2	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:3:2:2:	4:4:	4:1:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:H-1:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH)	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	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]O)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|O<1>,5|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	106.8780	0.000	1	106.8780	0.000	1	106.8780	0.000	1	106.8780	0.000	1	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:	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)	O[6,6](C[3x6]C[3x6]C[6,6]O)(C[3x6]C[6,6]O[6,6]C)	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>}	O[6,6](C[3x6]C[3x6]C[6,6]O)(C[3x6]C[6,6]O[6,6]C){1|C<3>,2|C<4>,5|H<1>}	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	107.2650	0.000	1	107.2650	0.000	1	107.2650	0.000	1	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:	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)	O[6,6](C[3x6]C[3x6]C[6,6]O)(C[6,6]C[4x6]HH)	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>}	O[6,6](C[3x6]C[3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|O<2>,2|H<1>,4|C<4>}	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[4x6]-4:C[6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:	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)	O[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[4x6]C[6]O)	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>}	O[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[4x6]C[6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[3x6]C[4x6]O[6,6]C[6])(H)	105.9410	0.105	2	105.9410	0.011	2	105.9410	0.011	2	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:	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)	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	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>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	106.6013	0.174	3	106.4898	0.212	11	106.4898	0.212	11	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:	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)	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	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>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	106.4765	0.746	2	106.4898	0.212	11	106.4898	0.212	11	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:	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)	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	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>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	106.6190	0.000	1	106.4898	0.212	11	106.4898	0.212	11	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:	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)	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	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>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|H<1>,1|O<2>,5|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	106.5392	0.589	4	106.4898	0.212	11	106.4898	0.212	11	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:	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)	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	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>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|H<1>,1|O<2>,5|C<4>}	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	105.8550	0.000	1	106.4898	0.212	11	106.4898	0.212	11	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:	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)	O[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[4x6]HH)	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>}	O[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[4x6]HH){1|C<3>,2|H<1>,4|C<4>}	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	107.1005	0.496	2	106.8170	0.364	3	106.8872	0.262	4	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:	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)	O[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[4x6]HH)	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>}	O[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[4x6]HH){2|C<3>,2|H<1>,3|C<4>}	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	106.2500	0.000	1	106.8170	0.364	3	106.8872	0.262	4	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:	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)	O[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[4x6]HH)	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>}	O[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[4x6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	107.0980	0.000	1	107.0980	0.000	1	106.8872	0.262	4	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	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[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]2O)	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>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]2O){3|H<1>,5|C<4>}	O(C[3x6]C[6,6]2O[6,6])(H)	105.6940	0.000	1	105.6940	0.000	1	106.0660	0.465	5	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	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[3x6]-4:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH)	O[6,6](C[3x6]C[6,6]2O)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>}	O[6,6](C[3x6]C[6,6]2O)2{2|C<4>,2|O<2>,6|H<1>}	O(C[3x6]C[6,6]2O[6,6])(H)	106.1590	0.750	4	106.1590	0.563	4	106.0660	0.465	5	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-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)	O[6,6](C[3x6]C[6,6]2O)(C[6,6]C[4x6]HH)	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>}	O[6,6](C[3x6]C[6,6]2O)(C[6,6]C[4x6]HH){2|H<1>,5|C<4>}	O(C[3x6]C[6,6]2O[6,6])(H)	105.8980	0.000	1	105.8980	0.000	1	105.7417	0.076	3	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[6,6]-4:	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)	O[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)	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>}	O[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH){3|H<1>,4|C<4>}	O(C[3x6]C[6,6]2O[6,6])(H)	105.6635	0.340	2	105.6635	0.116	2	105.7417	0.076	3	106.4274	0.432	27	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[3x6]-4:C[3x6]-4:	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)	O[6,6](C[3x6]C[4x6]C[6]C)(C[3x6]C[6,6]2O)	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>}	O[6,6](C[3x6]C[4x6]C[6]C)(C[3x6]C[6,6]2O){1|Br<1>,1|C<3>,3|C<4>,4|H<1>}	O(C[3x6]C[6,6]2O[6,6])(CH3)	105.3947	0.215	3	105.3947	0.046	3	105.3947	0.046	3	106.1195	0.377	11	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[3x6]-4:	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)	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2O)	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>}	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2O){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	O(C[3x6]C[6,6]2O[6,6])(CH3)	106.3115	0.325	2	106.3914	0.215	8	106.3914	0.215	8	106.1195	0.377	11	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6,6]	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[3x6]-4:	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)	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2O)	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>}	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2O){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	O(C[3x6]C[6,6]2O[6,6])(CH3)	106.4180	0.526	6	106.3914	0.215	8	106.3914	0.215	8	106.1195	0.377	11	106.7612	1.926	50	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[3x6]	O[6]	O	4:3:2:2:	4:4:	4:4:	C[5x6]-4:C[6,6]-3:O[6]-2:O-2:	C[3x6]-4:C[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)	O[6](C[3x6]C[5x6]C[6,6]O)(C[6]C[6]HH)	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>}	O[6](C[3x6]C[5x6]C[6,6]O)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	O(C[3x6]C[5x6]C[6,6]O[6])(CH3)	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[4x6]	O[3x6]	O	4:4:2:2:	4:4:	4:1:	C[5,5x6]-4:C[6,6]-4:O[3x6]-2:O-2:	C[4x6]-4:C[4x6]-4:	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)	O[3x6](C[4x6]C[5,5x6]C[6,6]O)(C[4x6]C[5x6]O[6,6]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>}	O[3x6](C[4x6]C[5,5x6]C[6,6]O)(C[4x6]C[5x6]O[6,6]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[4x6]C[5,5x6]C[6,6]O[3x6])(H)	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[4x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[4x6]-4:	C[4x6]-4:H-1:	C[4x6](C[3x6]C[3x6]C[6]H)2(O[6,6]C[4x6])(OH)	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[4x6]C[3x6]2O)	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>}	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[4x6]C[3x6]2O){5|H<1>,6|C<4>}	O(C[4x6]C[3x6]2O[6,6])(H)	106.2650	0.000	1	106.2650	0.000	1	106.2650	0.000	1	106.0567	9.198	3	106.0567	9.198	3	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[4x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[6,6]-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)	O[6,6](C[4x6]C[3x6]2O)(C[6,6]C[3x6]HH)	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>}	O[6,6](C[4x6]C[3x6]2O)(C[6,6]C[3x6]HH){1|H<1>,6|C<4>}	O(C[4x6]C[3x6]2O[6,6])(H)	102.9250	0.000	1	102.9250	0.000	1	102.9250	0.000	1	106.0567	9.198	3	106.0567	9.198	3	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[4x6]	O[6,6]	O	4:4:2:2:	4:4:	4:1:	C[5x6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[4x6]-4:C[4x6]-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)	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[4x6]C[5x6]C[6,6]O)	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>}	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[4x6]C[5x6]C[6,6]O){2|C<3>,4|H<1>,5|C<4>}	O(C[4x6]C[5x6]C[6,6]O[6,6])(H)	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	106.0567	9.198	3	106.0567	9.198	3	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6,6]	O	2:4:4:2:	4:4:	4:1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:	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)	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)	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>}	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	O(C[6,6]O[6,6]C[6]2)(H)	107.2476	0.732	5	107.1817	0.455	6	106.9019	0.927	7	106.9019	0.927	7	108.1204	3.258	14	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6,6]	O	2:4:4:2:	4:4:	4:1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:	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)	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)	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>}	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	O(C[6,6]O[6,6]C[6]2)(H)	106.8520	0.000	1	107.1817	0.455	6	106.9019	0.927	7	106.9019	0.927	7	108.1204	3.258	14	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6,6]	O	2:4:4:2:	4:4:	4:1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:	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)	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)	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>}	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O){2|C<4>,2|O<2>,6|H<1>}	O(C[6,6]O[6,6]C[6]2)(H)	105.2230	0.000	1	105.2230	0.000	1	106.9019	0.927	7	106.9019	0.927	7	108.1204	3.258	14	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6,6]	O	2:4:4:2:	4:4:	4:4:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:	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)	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)	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>}	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	O(C[6,6]O[6,6]C[6]2)(CH3)	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	108.1204	3.258	14	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6,6]	O	4:2:2:1:	4:4:	4:4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(OC)(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)	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>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]O[6,6]H)(CH3)	111.0000	0.000	1	111.0000	0.000	1	110.4290	0.652	2	110.0926	1.379	5	108.1204	3.258	14	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6,6]	O	4:2:2:1:	4:4:	4:4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:	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)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)	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>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO){1|C<4>,2|O<2>,4|H<1>}	O(C[6,6]C[3x6]O[6,6]H)(CH3)	109.8580	0.000	1	109.8580	0.000	1	110.4290	0.652	2	110.0926	1.379	5	108.1204	3.258	14	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6,6]	O	4:2:2:1:	4:4:	4:4:	C[4x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:C-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]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|C<3>,4|C<4>,4|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]HO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6,6]C[4x6]O[6,6]H)(CH3)	111.5980	0.000	1	111.5980	0.000	1	110.3065	3.336	2	110.0926	1.379	5	108.1204	3.258	14	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6,6]	O	4:2:2:1:	4:4:	4:4:	C[4x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:C-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H)	O[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[4x6]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>}	O[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[4x6]HO){1|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[4x6]O[6,6]H)(CH3)	109.0150	0.000	1	109.0150	0.000	1	110.3065	3.336	2	110.0926	1.379	5	108.1204	3.258	14	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6,6]	O	4:2:2:1:	4:4:	4:4:	C[5,3x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:C-4:	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H)	O[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HO)	O(C[6,6]C[5,3x6]O[6,6]H)(CCHH)	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HO){1|C<3>,1|H<1>,2|C<4>}	O(C[6,6]C[5,3x6]O[6,6]H)(CCHH)	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	110.0926	1.379	5	108.1204	3.258	14	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6,6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6,6]-2:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:	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)	O[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2O)	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>}	O[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2O){2|C<4>,2|F<1>,2|O<2>,4|H<1>}	O(C[6,6]O[6,6]C[6]2)(H)	106.9350	0.000	1	106.9350	0.000	1	106.9350	0.000	1	106.9350	0.000	1	108.1204	3.258	14	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	3:4:2:2:	4:2:	4:1:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-4:O[6]-2:	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)	O[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])	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>}	O[6](C[6,6]C[6,6]C[6]O)(O[6]C[6]){1|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	110.1370	0.000	1	110.1370	0.000	1	110.1370	0.000	1	110.1370	0.000	1	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	3:4:2:2:	4:4:	4:1:	C[6,6]-3: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](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]3)	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>}	O[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O(C[6,6]C[6,6]C[6]O[6])(H)	109.5930	0.000	1	109.5930	0.000	1	109.5930	0.000	1	111.0965	4.521	2	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	3:4:2:2:	4:4:	4:1:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	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)	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6,6]CC)	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>}	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6,6]CC){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(H)	112.6000	0.000	1	112.6000	0.000	1	112.6000	0.000	1	111.0965	4.521	2	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:2:2:2:	4:4:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	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)	O[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)	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>}	O[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[6,6]O[6]2)(SiC3)	113.0650	0.000	1	113.0650	0.000	1	113.0650	0.000	1	113.0650	0.000	1	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:3:2:2:	4:2:	4:1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:O[6]-2:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	O[6](C[6,6]C[5,6]C[6,6]O)(O[6]C[6])	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O[6](C[6,6]C[5,6]C[6,6]O)(O[6]C[6]){1|H<1>,3|C<3>,3|C<4>}	O(C[6,6]C[5,6]C[6,6]O[6])(H)	111.0540	0.000	1	111.1480	0.018	2	111.1480	0.018	2	111.5126	0.334	5	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:3:2:2:	4:2:	4:1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:O[6]-2:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	O[6](C[6,6]C[5,6]C[6,6]O)(O[6]C[6])	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|O<1>,3|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]O)(O[6]C[6]){1|H<1>,2|C<3>,4|C<4>}	O(C[6,6]C[5,6]C[6,6]O[6])(H)	111.2420	0.000	1	111.1480	0.018	2	111.1480	0.018	2	111.5126	0.334	5	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:3:2:2:	4:2:	4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:O[6]-2:	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)	O[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])	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>}	O[6](C[6,6]C[6,6]C[6]O)(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O(C[6,6]C[6,6]C[6]O[6])(H)	111.5395	0.770	2	111.7557	0.437	3	111.7557	0.437	3	111.5126	0.334	5	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:3:2:2:	4:2:	4:1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:O[6]-2:	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)	O[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])	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>}	O[6](C[6,6]C[6,6]C[6]O)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>}	O(C[6,6]C[6,6]C[6]O[6])(H)	112.1880	0.000	1	111.7557	0.437	3	111.7557	0.437	3	111.5126	0.334	5	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:3:2:2:	4:4:	4:1:	C[3,6]-4:C[6,6]-3:O[6]-2:O-2:	C[5,5,6]-4:C[6,6]-4:	C[6,6]-4:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6])(O[6]C[5,5,6])(OH)	O[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6,6]O)	O(C[6,6]C[3,6]C[6,6]O[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6])(O[6]C[5,5,6])(OH){2|C<3>,4|C<4>}	O[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6,6]O){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[3,6]C[6,6]O[6])(H)	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:3:2:2:	4:4:	4:4:	C[5,6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	C[6,6]-4:C-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC)	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)	O(C[6,6]C[5,6,6]C[6]O[6])(CH3)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC){2|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[6,6]C[5,6,6]C[6]O[6])(CH3)	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:2:	4:1:	C[3x6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:O[6]-2:	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)	O[6](C[6,6]C[3x6]C[6]O)(O[6]C[3x6])	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>}	O[6](C[6,6]C[3x6]C[6]O)(O[6]C[3x6]){1|O<2>,2|H<1>,5|C<4>}	O(C[6,6]C[3x6]C[6]O[6])(H)	102.5530	0.000	1	102.5530	0.000	1	102.5530	0.000	1	107.3570	17.309	3	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:2:	4:1:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:O[6]-2:	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)	O[6](C[6,6]C[5,6,6]C[6]O)(O[6]C[6])	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>}	O[6](C[6,6]C[5,6,6]C[6]O)(O[6]C[6]){1|C<3>,1|H<1>,6|C<4>}	O(C[6,6]C[5,6,6]C[6]O[6])(H)	109.7590	0.000	2	109.7590	0.000	2	109.7590	0.000	2	107.3570	17.309	3	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[3x6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	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)	O[6](C[6,6]C[3x6]C[6]O)(C[6]C[5a]C[6]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>}	O[6](C[6,6]C[3x6]C[6]O)(C[6]C[5a]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6]O[6])(H)	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	109.4044	1.834	9	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-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]HH)(O[6]C[6])(OH)	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]CH)	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>}	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]CH){2|H<1>,3|C<3>,3|C<4>}	O(C[6,6]C[5,6,6]C[6]O[6])(H)	109.1935	0.030	2	109.1935	0.001	2	109.1935	0.001	2	109.4044	1.834	9	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[5,6]-4:C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6]-4:	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)	O[6](C[6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]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>}	O[6](C[6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H){1|N<2>,1|S<2>,2|O<2>,3|C<4>,4|H<1>}	O(C[6,6]C[5,6]C[6,6]O[6])(H)	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	109.4044	1.834	9	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[5,6]-4:C[6,6]-4:	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)	O[6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]C[6]O)	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>}	O[6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	108.8905	0.426	2	108.8905	0.182	2	108.8905	0.182	2	109.4044	1.834	9	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	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)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]C[6a]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>}	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	110.1120	0.000	1	110.1120	0.000	1	108.9330	4.048	3	109.4044	1.834	9	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	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)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)	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>}	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH){3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	110.0770	0.000	1	110.0770	0.000	1	108.9330	4.048	3	109.4044	1.834	9	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	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)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)	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>}	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(H)	106.6100	0.000	1	106.6100	0.000	1	108.9330	4.048	3	109.4044	1.834	9	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6,6]	O[6]	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	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)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]C[6a]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>}	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]C[6a]H){1|C<2>,3|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]O[6])(CH3)	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	110.0192	4.569	24	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	2:2:2:1:	4:4:	4:4:	O[6]-2:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6])2(OC)(H)	O[6](C[6]C[6]HH)(C[6]O[6]HO)	O(C[6]O[6]2H)(CCHH)	C[6](O[6]C[6])2(OC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HO){1|C<4>,1|H<1>,1|N<3>}	O(C[6]O[6]2H)(CCHH)	107.6730	1.496	2	107.6730	2.239	2	107.6730	2.239	2	107.6730	2.239	2	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	2:2:4:2:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:O-2:	C[3x6]-4:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[3x6])2(CH3)(OC)	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CO)	O(C[6]O[6]2C)(CH3)	C[6](O[6]C[3x6])2(CH3)(OC){2|H<1>,3|C<4>}	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CO){2|C<4>,2|H<1>,2|O<2>}	O(C[6]O[6]2C)(CH3)	107.6710	3.891	2	107.6710	15.136	2	107.6710	15.136	2	107.5850	9.712	4	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	2:2:4:2:	4:4:	4:4:	O[6]-2:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[6,6])2(CH3)(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)	O(C[6]O[6]2C)(CH3)	C[6](O[6]C[6,6])2(CH3)(OC){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO){1|O<1>,2|C<4>,2|H<1>}	O(C[6]O[6]2C)(CH3)	107.4990	3.738	2	107.4990	13.971	2	107.4990	13.971	2	107.5850	9.712	4	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	2:3:2:1:	4:4:	4:4:	O[6]-2:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](O[6]C[5,6])(C[6]N[6]C)(OC)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)	O(C[6]C[6]O[6]H)(CC[6a]2H)	C[6](O[6]C[5,6])(C[6]N[6]C)(OC)(H){1|H<1>,2|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO){1|N<2>,4|C<3>}	O(C[6]C[6]O[6]H)(CC[6a]2H)	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	2:3:4:2:	4:4:	4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH)	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH){1|Cl<1>,1|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(H)	104.0690	0.000	1	104.0690	0.000	1	104.0690	0.000	1	109.5483	22.561	3	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	2:3:4:2:	4:4:	4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO){1|Br<1>,1|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	112.4960	0.000	1	112.2880	0.087	2	112.2880	0.087	2	109.5483	22.561	3	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	2:3:4:2:	4:4:	4:1:	O[6]-2:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	112.0800	0.000	1	112.2880	0.087	2	112.2880	0.087	2	109.5483	22.561	3	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:1:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)	O(C[6]C[6,6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO){1|C<4>,5|C<3>}	O(C[6]C[6,6a]O[6]H)(H)	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:2:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH)	O(C[6]C[6,6a]O[6]H)(OC[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH){2|C<3>,2|H<1>}	O(C[6]C[6,6a]O[6]H)(OC[6])	112.7430	0.090	3	112.7430	0.008	3	112.7430	0.008	3	112.7430	0.008	3	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[5,6]-3:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]O[6]H)(CH3)	112.3400	0.000	2	112.5850	0.180	3	112.5850	0.180	3	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[5,6]-3:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]O[6]H)(CH3)	113.0750	0.000	1	112.5850	0.180	3	112.5850	0.180	3	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[5a,6]-3:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HO)	O(C[6]C[5a,6]O[6]H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HO){2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[5a,6]O[6]H)(CH3)	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[5a,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H)	O[6](C[6]C[5a,6]HO)(C[6]C[6]CH)	O(C[6]C[5a,6]O[6]H)(CCCH)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[5a,6]HO)(C[6]C[6]CH){1|C<3>,1|N<2>,1|O<1>}	O(C[6]C[5a,6]O[6]H)(CCCH)	112.4650	0.000	1	112.4650	0.000	1	112.4650	0.000	1	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[6,6]-3:O[6]-2:O-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H)	O[6](B[6]C[6a]2O[6])(C[6]C[6,6]HO)	O(C[6]C[6,6]O[6]H)(CCHH)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H){1|C<4>,1|O<2>,4|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6,6]HO){6|C<3>}	O(C[6]C[6,6]O[6]H)(CCHH)	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[5,6]HO)(C[6]C[6,6]HO){1|C<3>,3|C<4>}	O(C[6]C[6,6]O[6]H)(CH3)	111.0090	0.000	1	111.0090	0.000	1	111.0090	0.000	1	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	111.1675	0.022	2	111.1675	0.000	2	111.1675	0.000	2	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH)	O(C[6]C[6,6a]O[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH){2|C<3>,2|H<1>}	O(C[6]C[6,6a]O[6]H)2	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|H<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCCH)	111.9210	0.000	1	111.9210	0.000	1	111.5333	0.602	9	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	111.8665	0.856	2	111.8665	0.733	2	111.5333	0.602	9	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|N<2>,2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	112.2300	0.973	2	112.2300	0.947	2	111.5333	0.602	9	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)2	O(C[6]C[6]O[6]H)(CC[6a]2H)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|Ni<4>,1|C<3>,1|H<1>,1|O<2>}	O[6](C[6]C[6]HO)2{1|N<3>,2|C<3>}	O(C[6]C[6]O[6]H)(CC[6a]2H)	111.0130	0.342	2	111.0130	0.117	2	111.5333	0.602	9	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)2	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|Ni<4>,1|C<3>,1|H<1>,1|O<2>}	O[6](C[6]C[6]HO)2{1|N<3>,2|C<3>}	O(C[6]C[6]O[6]H)(CH3)	110.8300	0.376	2	110.8300	0.142	2	111.5333	0.602	9	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]O)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(O[6]C[6])(OC[6])(H){2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	112.7850	0.640	3	112.7850	0.410	3	112.8346	0.504	5	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	112.1410	0.000	1	112.1410	0.000	1	112.8346	0.504	5	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:2:1:	4:4:	4:4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	113.6770	0.000	1	113.6770	0.000	1	112.8346	0.504	5	111.7748	1.092	24	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:3:2:	3:4:	4:4:	C[6]-3:O[6]-2:C-3:O-2:	N[6]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC)	O[6](N[6]C[6a]C[6])(C[6]C[6]CO)	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CO){2|H<1>,4|C<3>}	O(C[6]C[6]O[6]C)(CH3)	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:3:2:	4:4:	4:1:	C[6,6a]-3:O[6]-2:C-3:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH)	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CO)	O(C[6]C[6,6a]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CO){1|C<4>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]O[6]C)(H)	105.3670	0.000	2	105.3670	0.000	2	105.3670	0.000	2	105.3670	0.000	2	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:2:4:2:	4:4:	4:1:	C[6]-3:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(OH)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CO)	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CO){1|O<1>,1|O<2>,4|C<3>}	O(C[6]C[6]O[6]C)(H)	103.3070	0.000	1	103.3070	0.000	1	103.3070	0.000	1	103.3070	0.000	1	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:3:2:2:	4:4:	4:1:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH)	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]O)	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH){1|H<1>,1|O<2>,6|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6]O){1|C<4>,2|O<1>,5|C<3>}	O(C[6]C[6a]C[6]O[6])(H)	103.8700	0.000	2	103.8700	0.000	2	103.8700	0.000	2	103.8700	0.000	2	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:4:2:2:	4:2:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:O[6]-2:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH)	O[6](C[6]C[6a]C[6]O)(O[6]C[5,6])	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>}	O[6](C[6]C[6a]C[6]O)(O[6]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6a]C[6]O[6])(H)	111.1570	0.000	1	111.1570	0.000	1	111.1570	0.000	1	111.1570	0.000	1	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:4:2:2:	4:4:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	O[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)	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>}	O[6](C[6]C[6a]C[6]O)(C[6]C[6]HH){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	110.8070	0.000	1	110.8255	0.001	2	110.9580	0.142	4	110.9580	0.142	4	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:4:2:2:	4:4:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	O[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)	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>}	O[6](C[6]C[6a]C[6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	110.8440	0.000	1	110.8255	0.001	2	110.9580	0.142	4	110.9580	0.142	4	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:4:2:2:	4:4:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH)	O[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)	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>}	O[6](C[6]C[6a]C[6]O)(C[6]C[6]CH){1|N<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	111.0905	0.596	2	111.0905	0.355	2	110.9580	0.142	4	110.9580	0.142	4	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:4:2:2:	4:4:	4:4:	C[5a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC)	O[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)	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>}	O[6](C[6]C[5a]C[6]O)(C[6]C[6]CH){1|N<2>,1|S<2>,2|C<4>,3|H<1>}	O(C[6]C[5a]C[6]O[6])(CH3)	111.1940	0.086	2	111.1940	0.007	2	111.1940	0.007	2	110.7717	0.539	3	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	3:4:2:2:	4:4:	4:4:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]O)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]O){1|C<4>,1|S<3>,2|C<3>,2|O<2>,4|H<1>}	O(C[6]C[6a]C[6]O[6])(CH3)	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	110.7717	0.539	3	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	N[5,6]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H)	O[6](N[5,6]C[5,5,6]O[5])(C[6]C[5,6]HO)	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](N[5,6]C[5,5,6]O[5])(C[6]C[5,6]HO){1|H<1>,5|C<4>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	113.9930	0.000	1	113.9930	0.000	1	113.9930	0.000	1	110.3320	28.546	3	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	N[4,6]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H)	O[6](N[4,6]C[4,6]C[4])(C[6]C[6]HO)	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>}	O[6](N[4,6]C[4,6]C[4])(C[6]C[6]HO){1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	104.2010	0.000	1	104.2010	0.000	1	104.2010	0.000	1	110.3320	28.546	3	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	3:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	N[5,6]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[5,6])(OC)(H)	O[6](N[5,6]C[5,6]O[5])(C[6]C[6]HO)	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>}	O[6](N[5,6]C[5,6]O[5])(C[6]C[6]HO){3|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	110.3320	28.546	3	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H)	O[6](C[6]C[6]HO)(N[6]C[6]O)	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>}	O[6](C[6]C[6]HO)(N[6]C[6]O){2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	112.2740	0.000	1	112.2740	0.000	1	112.7030	0.368	2	112.7030	0.368	2	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:3:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H)	O[6](C[6]C[6]HO)(N[6]C[6]O)	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>}	O[6](C[6]C[6]HO)(N[6]C[6]O){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	113.1320	0.000	1	113.1320	0.000	1	112.7030	0.368	2	112.7030	0.368	2	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[3x6]-4:O[6]-2:O-2:H-1:	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)	O[6](C[6]C[3x6]HO)(C[6]C[6,6]HH)	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>}	O[6](C[6]C[3x6]HO)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	O(C[6]C[3x6]O[6]H)(H)	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	O(C[6]C[5,6]O[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<4>,3|O<2>,4|H<1>}	O(C[6]C[5,6]O[6]H)(H)	112.0240	0.102	2	112.0240	0.010	2	112.0240	0.010	2	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	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:H-1:	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)	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>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO){1|H<1>,1|O<2>,6|C<4>}	O(C[6]C[6,6]O[6]H)(H)	106.4920	0.000	1	106.4920	0.000	1	106.4920	0.000	1	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HO)	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>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HO){6|C<4>}	O(C[6]C[6,6]O[6]H)(H)	107.2480	0.000	1	107.2480	0.000	1	107.2480	0.000	1	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H)	O[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HO)	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>}	O[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HO){1|C<3>,4|H<1>,5|C<4>}	O(C[6]C[6]O[6]H)(H)	107.2250	0.000	1	107.2250	0.000	1	109.8290	5.094	3	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H)	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HO)	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>}	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HO){3|H<1>,5|C<4>}	O(C[6]C[6]O[6]H)(H)	111.1310	0.127	2	111.1310	0.016	2	109.8290	5.094	3	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)	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>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)(H)	105.6690	0.000	1	105.6690	0.000	1	108.5205	16.262	2	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)	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>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(H)	111.3720	0.000	1	111.3720	0.000	1	108.5205	16.262	2	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]O[6]H)(H)	110.8200	0.000	1	110.8200	0.000	1	109.9169	7.522	7	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){3|C<4>,5|H<1>}	O(C[6]C[6]O[6]H)(H)	107.1530	0.000	1	107.1530	0.000	1	109.9169	7.522	7	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]O[6]H)(H)	107.0615	0.801	2	107.0615	0.642	2	109.9169	7.522	7	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|F<1>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(H)	112.6415	0.613	2	112.6415	0.376	2	109.9169	7.522	7	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(H)	112.0390	0.000	1	112.0390	0.000	1	109.9169	7.522	7	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	107.4280	0.000	1	107.3980	0.002	2	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]O[6]H)(H)	107.3680	0.000	1	107.3980	0.002	2	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[5,6]C[5]H)(C[6]C[6]HO)	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>}	O[6](C[6]C[5,6]C[5]H)(C[6]C[6]HO){2|C<4>,3|H<1>,3|O<2>}	O(C[6]C[6]O[6]H)(H)	110.6770	0.000	1	110.6770	0.000	1	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HO){2|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)(H)	111.6030	0.000	1	111.6030	0.000	1	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HO){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	108.7020	0.000	1	108.7020	0.000	1	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(H)	109.9827	2.289	3	109.9827	5.241	3	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]O[6]H)(H)	110.8705	0.749	2	110.8705	0.561	2	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]HO)(C[6]O[6]CH)	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>}	O[6](C[6]C[6]HO)(C[6]O[6]CH){3|C<4>}	O(C[6]C[6]O[6]H)(H)	108.0180	0.000	1	108.0180	0.000	1	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){2|O<2>,3|C<4>}	O(C[6]C[6]O[6]H)(H)	108.0900	0.000	1	108.0900	0.000	1	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(C[6]C[6]O[6]H)(H)	110.5390	3.403	2	110.5390	11.578	2	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	108.0182	0.594	4	108.0182	0.353	4	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	110.4010	0.000	1	110.4010	0.000	1	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	108.8473	2.624	3	109.8663	8.742	4	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	112.9230	0.000	1	109.8663	8.742	4	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	107.2630	0.000	1	108.7936	10.837	45	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(H)	112.0810	0.000	1	108.7936	10.837	45	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(C[6]C[6]O[6]H)(H)	105.7045	1.312	2	108.7936	10.837	45	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	106.8030	0.000	1	108.7936	10.837	45	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(H)	109.0381	3.351	39	108.7936	10.837	45	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(H)	105.6700	0.000	1	108.7936	10.837	45	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	108.3340	0.000	1	108.3340	0.000	1	108.9947	8.370	69	109.1352	8.004	86	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-3:	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(NOO)	111.4445	0.112	2	111.4445	0.013	2	108.4702	5.742	6	109.1542	4.552	10	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-3:	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(NC[6a]C)	107.1590	0.945	3	107.1590	0.894	3	108.4702	5.742	6	109.1542	4.552	10	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-3:	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(NOO)	106.4550	0.000	1	106.4550	0.000	1	108.4702	5.742	6	109.1542	4.552	10	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N[5]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(N[5]C[5]2)	110.6050	0.000	1	110.6050	0.000	1	110.1803	1.746	4	109.1542	4.552	10	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N[5]-3:	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(N[5]C[5]2)	111.0340	0.000	1	111.0340	0.000	1	110.1803	1.746	4	109.1542	4.552	10	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N[5]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(N[5]C[5]2)	109.5410	1.874	2	109.5410	3.511	2	110.1803	1.746	4	109.1542	4.552	10	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[3,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[3,6]C[3,5,6]N[3,5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[3,6]HO)(C[6]C[5,6]CH)	O(C[6]C[3,6]O[6]H)(CH3)	C[6](C[3,6]C[3,5,6]N[3,5]H)(O[6]C[6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[3,6]HO)(C[6]C[5,6]CH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[3,6]O[6]H)(CH3)	110.3570	3.992	2	110.3570	15.939	2	110.3570	15.939	2	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)	O(C[6]C[5,5,6]O[6]H)(CH3)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,5,6]O[6]H)(CH3)	111.4810	0.000	2	111.6710	0.048	4	111.6710	0.048	4	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)	O(C[6]C[5,5,6]O[6]H)(CH3)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,5,6]O[6]H)(CH3)	111.8610	0.000	2	111.6710	0.048	4	111.6710	0.048	4	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HO)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HO){2|H<1>,4|C<4>}	O(C[6]C[5,6]O[6]H)(CH3)	107.2210	0.000	1	107.2210	0.000	1	107.2210	0.000	1	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,1|P<4>,1|S<4>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	O(C[6]C[5,6]O[6]H)(CH3)	111.9400	0.000	1	111.9400	0.000	1	112.1447	0.764	3	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<4>,3|O<2>,4|H<1>}	O(C[6]C[5,6]O[6]H)(CH3)	113.1030	0.000	1	112.2470	1.465	2	112.1447	0.764	3	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){2|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<4>,3|O<2>,4|H<1>}	O(C[6]C[5,6]O[6]H)(CH3)	111.3910	0.000	1	112.2470	1.465	2	112.1447	0.764	3	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6,6]HO){1|C<3>,3|C<4>}	O(C[6]C[5,6]O[6]H)(CH3)	107.2560	0.000	1	107.2560	0.000	1	111.6829	3.982	7	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]CH)	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[5,6]O[6]H)(CCHH)	112.9640	0.000	1	112.9640	0.000	1	111.6829	3.982	7	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]CH)	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[5,6]HO)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]O[6]H)(CH3)	112.3120	0.411	5	112.3120	0.169	5	111.6829	3.982	7	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[3,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[3,6])(OC)(H)	O[6](C[3,6]C[3]2C[6])(C[6]C[6,6]HO)	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>}	O[6](C[3,6]C[3]2C[6])(C[6]C[6,6]HO){2|C<4>,2|O<2>,5|H<1>}	O(C[6]C[6,6]O[6]H)(CH3)	113.3690	0.000	1	113.3690	0.000	1	113.3690	0.000	1	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	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](C[6,6]C[6,6]C[6]O)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO){2|C<4>,3|H<1>,3|O<2>}	O(C[6]C[6,6]O[6]H)(CH3)	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)	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>}	O[6](C[6]C[6,6]HH)(C[6]C[6,6]HO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6,6]O[6]H)(CC3)	113.0990	0.000	1	113.0990	0.000	1	109.9518	9.645	6	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]CH)	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>}	O[6](C[6]C[6,6]HO)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]O[6]H)(CH3)	112.5965	0.083	2	112.5965	0.007	2	109.9518	9.645	6	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]CC)	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>}	O[6](C[6]C[6,6]HO)(C[6]C[6]CC){1|C<4>,2|H<1>,2|S<2>}	O(C[6]C[6,6]O[6]H)(CH3)	107.6700	0.000	1	107.1397	0.300	3	109.9518	9.645	6	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]CC)	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>}	O[6](C[6]C[6,6]HO)(C[6]C[6]CC){1|C<4>,2|H<1>,2|S<2>}	O(C[6]C[6,6]O[6]H)(CH3)	106.8745	0.422	2	107.1397	0.300	3	109.9518	9.645	6	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[3,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H)	O[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)	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>}	O[6](C[3,6]C[3]2C[6])(C[6]C[6]HO){1|C<4>,3|O<2>,5|H<1>}	O(C[6]C[6]O[6]H)(CH3)	113.3480	0.000	1	113.3480	0.000	1	113.3480	0.000	1	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)	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>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	107.0560	0.000	1	107.0560	0.000	1	108.3810	4.418	5	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)	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>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CC[6]HH)	107.5410	0.000	1	107.5410	0.000	1	108.3810	4.418	5	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)	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>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CH3)	107.5945	0.032	2	107.5945	0.001	2	108.3810	4.418	5	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)	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>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CH3)	112.1190	0.000	1	112.1190	0.000	1	108.3810	4.418	5	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)	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>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)2	110.4063	0.263	6	110.4063	0.069	6	110.4063	0.069	6	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	111.1740	1.788	2	111.1740	3.195	2	111.1740	3.195	2	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)(CCHH)	112.6730	0.000	1	112.6730	0.000	1	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)(CH3)	113.1810	0.000	1	113.1810	0.000	1	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]O[6]H)(CCHH)	111.7410	0.401	3	111.7410	0.161	3	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	110.6670	0.000	1	110.6670	0.000	1	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]O[6]H)(CH3)	106.9260	0.000	1	106.9260	0.000	1	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	111.8840	0.000	1	111.8840	0.000	1	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,2|O<2>,5|H<1>}	O(C[6]C[6]O[6]H)(CH3)	111.2670	0.000	1	111.3877	3.160	6	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(CH3)	107.8610	0.000	1	111.3877	3.160	6	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6]O[6]H)(CH3)	112.2995	0.087	4	111.3877	3.160	6	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	111.9950	0.000	1	111.9950	0.000	1	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CH3)	113.1015	0.262	2	111.5192	3.180	21	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CH3)	111.4410	0.000	1	111.5192	3.180	21	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CH3)	112.1356	0.959	8	111.5192	3.180	21	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CH3)	110.1135	2.435	2	111.5192	3.180	21	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CH3)	110.5270	2.545	6	111.5192	3.180	21	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CH3)	111.8930	0.764	2	111.5192	3.180	21	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CH3)	112.2060	0.000	1	112.1592	0.410	13	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CH3)	112.1553	0.669	12	112.1592	0.410	13	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	108.5580	0.000	1	108.5580	0.000	1	111.5881	2.551	50	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]O[6]H)2	109.8050	3.284	2	109.8050	10.783	2	109.5084	3.105	7	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,2|O<2>,5|H<1>}	O(C[6]C[6]O[6]H)2	110.7585	0.319	2	110.7585	0.102	2	109.5084	3.105	7	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	108.4773	0.792	3	108.4773	0.627	3	109.5084	3.105	7	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[3x6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5,5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	106.8490	0.000	1	106.8490	0.000	1	106.8490	0.000	1	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	105.5020	0.000	1	105.5020	0.000	1	105.5020	0.000	1	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)	112.3400	0.000	1	112.3400	0.000	1	111.1042	2.014	17	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5,5,6]C[5]H)(C[6]C[6]O[6]H)	108.6210	0.000	1	108.6210	0.000	1	111.1042	2.014	17	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5,5]C[5]H)(C[6]C[6]O[6]H)	112.9350	0.000	1	112.9350	0.000	1	111.1042	2.014	17	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	110.9640	0.000	1	111.0625	1.627	14	111.1042	2.014	17	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	109.6740	0.000	1	111.0625	1.627	14	111.1042	2.014	17	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	113.3590	0.000	1	111.0625	1.627	14	111.1042	2.014	17	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	110.7162	1.303	5	111.0625	1.627	14	111.1042	2.014	17	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	111.2162	1.132	6	111.0625	1.627	14	111.1042	2.014	17	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[3,6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[3,6]CH)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	112.0440	0.332	2	112.0440	0.110	2	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]C[6]C)(C[6]C[6]HO)	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>}	O[6](C[6]C[6,6]C[6]C)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	106.2390	0.000	1	106.2390	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	110.9520	0.000	1	110.9520	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	108.0180	0.000	1	108.0180	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CH3)	109.2818	2.094	4	109.2818	4.386	4	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	112.2125	0.960	2	112.2125	0.921	2	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CH3)	113.5520	0.000	1	113.5520	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	112.4495	1.213	2	112.4495	1.471	2	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CH3)	112.6003	0.882	3	112.6003	0.777	3	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	107.4645	0.307	4	107.4565	0.111	6	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){2|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)(CH3)	107.4405	0.521	2	107.4565	0.111	6	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	112.4670	0.000	1	112.4670	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	112.7550	0.000	1	112.7550	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CCHH)	112.8520	0.000	1	112.8520	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CCCH)	111.5403	0.572	3	110.1226	3.982	5	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(CCCH)	107.9960	0.444	2	110.1226	3.982	5	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	107.9750	0.556	2	107.5247	0.763	3	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	106.6240	0.000	1	107.5247	0.763	3	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]CH)	107.7440	0.000	1	107.7440	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	111.6010	0.000	1	110.5021	2.499	9	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<2>,1|N<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	110.3120	0.000	1	110.5021	2.499	9	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	111.3340	0.644	5	110.5021	2.499	9	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	107.3390	0.000	1	110.5021	2.499	9	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	108.5970	0.000	1	110.5021	2.499	9	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	107.8595	0.896	2	108.0550	0.516	3	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	108.4460	0.000	1	108.0550	0.516	3	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(CC[5]CH)	107.8510	0.000	1	107.8510	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	112.5855	1.302	2	112.5855	1.695	2	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)	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>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	107.5240	0.000	1	107.5240	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCCH)	112.6260	0.000	1	112.6260	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	112.0560	0.000	1	112.0560	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHO)	107.5360	0.652	2	107.5360	0.425	2	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	108.6300	0.000	1	110.7660	9.125	2	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	112.9020	0.000	1	110.7660	9.125	2	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|I<1>,1|N<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	111.9150	0.000	1	110.2728	5.929	10	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	110.5946	2.651	7	110.2728	5.929	10	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	108.3255	0.456	2	110.2728	5.929	10	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC3)	105.1240	0.000	1	105.1240	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CCCH)	106.9773	0.520	3	107.3517	0.550	7	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCCH)	106.4200	0.000	1	107.3517	0.550	7	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCCH)	108.0367	0.178	3	107.3517	0.550	7	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(C[6]C[6]O[6]H)(CCHH)	106.7380	0.000	1	109.2663	4.629	18	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	112.8420	0.027	2	109.2663	4.629	18	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCHH)	108.9581	1.799	15	109.2663	4.629	18	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCHO)	106.2350	0.000	1	106.2350	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[5]CC)	107.3936	0.244	5	107.3936	0.059	5	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CC[5]CH)	108.2580	0.000	1	108.2580	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[5]HH)	107.8860	0.000	1	107.8860	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[6]HH)	108.4583	2.631	3	108.4583	6.921	3	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]CH)	107.1540	0.317	2	107.1540	0.100	2	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	108.6230	0.223	2	108.6740	0.033	3	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	108.7760	0.000	1	108.6740	0.033	3	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	113.1980	0.000	1	110.9877	5.508	59	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CH3)	112.3145	0.564	2	110.9877	5.508	59	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(C[6]C[6]O[6]H)(CH3)	108.8960	0.000	1	110.9877	5.508	59	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CH3)	112.0210	0.000	1	110.9877	5.508	59	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CH3)	111.5420	0.000	1	110.9877	5.508	59	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	112.5980	0.000	1	110.9877	5.508	59	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	112.6020	0.000	1	110.9877	5.508	59	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CH3)	110.9056	2.426	47	110.9877	5.508	59	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	113.1360	0.000	1	110.9877	5.508	59	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CH3)	107.5820	0.385	2	110.9877	5.508	59	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CH3)	111.9280	0.000	1	110.9877	5.508	59	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCCH)	112.2490	0.000	1	112.2490	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CCHH)	112.7180	0.000	1	112.7180	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[6]HH)	105.8850	0.000	1	105.8850	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	112.3720	0.000	1	112.0320	0.231	2	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	111.6920	0.000	1	112.0320	0.231	2	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(CH3)	108.3005	2.175	6	108.3005	4.729	6	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	107.8510	0.000	1	107.8510	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	108.0415	1.484	2	108.0415	2.203	2	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	108.2340	0.269	2	108.2340	0.072	2	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]CH)	110.7360	0.000	1	110.7360	0.000	1	109.8738	5.921	185	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[4]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[4]C[4]2H)	107.3713	0.964	3	107.3713	0.928	3	107.3713	0.928	3	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	108.8295	2.194	4	108.8295	4.813	4	108.8295	4.813	4	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	112.1395	0.798	2	112.1395	0.637	2	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	111.3570	1.304	2	111.3570	1.700	2	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.1050	0.163	2	109.1407	12.445	3	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	113.2120	0.000	1	109.1407	12.445	3	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.4480	0.000	1	107.4480	0.000	1	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	111.8280	0.000	1	108.4310	8.830	3	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	106.7325	0.592	2	108.4310	8.830	3	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	107.5165	0.599	2	107.5165	0.359	2	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]H)	104.9875	0.706	2	104.9875	0.499	2	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	108.8947	1.740	3	110.4934	3.930	126	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){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)	110.7943	0.723	12	110.4934	3.930	126	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	112.3847	0.857	4	110.4934	3.930	126	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){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)	111.8510	0.000	1	110.4934	3.930	126	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	110.4204	2.074	106	110.4934	3.930	126	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)2	110.9985	0.314	4	111.0665	2.578	33	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)2	111.0758	1.713	29	111.0665	2.578	33	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.2995	0.957	4	107.2995	0.915	4	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	107.9130	0.000	1	107.9130	0.000	1	110.3723	4.442	179	110.2960	5.089	487	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:3:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[5,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)	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>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]O[6]C)(H)	106.8500	0.158	2	106.8500	0.025	2	106.8500	0.025	2	109.1915	7.401	4	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:3:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	111.1820	0.000	1	111.1820	0.000	1	111.5330	0.246	2	109.1915	7.401	4	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:3:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	111.8840	0.000	1	111.8840	0.000	1	111.5330	0.246	2	109.1915	7.401	4	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:3:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-3:O-2:	C[5,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CO)	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>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CO){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	113.4125	0.142	2	113.4125	0.020	2	113.4125	0.020	2	111.6445	8.282	6	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:3:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(COO)(OC)	O[6](C[6]C[5,6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[5,6]CH)(C[6]C[6]CO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]C)(CH3)	111.1130	0.000	1	111.1130	0.000	1	110.7605	10.671	4	111.6445	8.282	6	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:3:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]O[6]C)(CH3)	112.9415	0.387	2	112.9415	0.150	2	110.7605	10.671	4	111.6445	8.282	6	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:3:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OC)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]O[6]C)(CH3)	106.0460	0.000	1	106.0460	0.000	1	110.7605	10.671	4	111.6445	8.282	6	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:2:	4:2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:	C[6]-4:O-2:	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO)	O[6](C[6]C[6]CO)(O[6]C[6])	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>}	O[6](C[6]C[6]CO)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]O[6]C)(OH)	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:3:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N[6]-3:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	O[6](C[6]C[6]CO)(N[6]C[6]O)	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>}	O[6](C[6]C[6]CO)(N[6]C[6]O){2|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	109.7430	0.000	2	110.6475	1.091	4	110.6475	1.091	4	110.6475	1.091	4	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:3:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N[6]-3:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	O[6](C[6]C[6]CO)(N[6]C[6]O)	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>}	O[6](C[6]C[6]CO)(N[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	111.5520	0.000	2	110.6475	1.091	4	110.6475	1.091	4	110.6475	1.091	4	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[3,6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6])(CH3)(OH)	O[6](C[6]C[3,6]CO)(C[6]C[6]CH)	O(C[6]C[3,6]O[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6])(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[3,6]CO)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[3,6]O[6]C)(H)	110.8010	0.000	1	110.8010	0.000	1	112.6370	2.582	3	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[3,6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH)	O[6](C[6]C[3,6]CO)(C[6]C[6]HH)	O(C[6]C[3,6]O[6]C)(H)	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[3,6]CO)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[3,6]O[6]C)(H)	113.5550	0.327	2	113.5550	0.107	2	112.6370	2.582	3	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH)	O[6](C[6]C[4x6]HH)(C[6]C[6]CO)	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>}	O[6](C[6]C[4x6]HH)(C[6]C[6]CO){2|H<1>,3|C<4>}	O(C[6]C[6]O[6]C)(H)	110.2380	0.000	1	110.2380	0.000	1	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH)	O[6](C[6]C[5,6]HH)(C[6]C[6]CO)	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>}	O[6](C[6]C[5,6]HH)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(H)	111.8470	0.000	1	111.8470	0.000	1	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH)	O[6](C[6]C[6,6]HH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6,6]HH)(C[6]C[6]CO){2|H<1>,3|C<4>}	O(C[6]C[6]O[6]C)(H)	111.6730	0.000	1	111.6730	0.000	1	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	O[6](C[6]C[6]CC)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	O(C[6]C[6]O[6]C)(H)	104.3130	0.000	1	104.3130	0.000	1	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6]O[6]C)(H)	110.1600	0.000	2	110.1600	0.000	2	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){2|H<1>,3|C<4>}	O(C[6]C[6]O[6]C)(H)	110.6560	0.099	2	110.6560	0.010	2	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)	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>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,5|C<3>}	O(C[6]C[6]O[6]C)(H)	107.9190	0.000	1	107.9190	0.000	1	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	110.8480	0.000	1	110.8480	0.000	1	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]O[6]C)(H)	111.4610	0.434	2	111.4610	0.188	2	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	111.1320	0.000	1	111.1320	0.000	1	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH)	O[6](C[6]C[6]CC)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	105.6250	0.000	1	105.6250	0.000	1	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	O[6](C[6]C[6]CC)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]C)(H)	113.0725	0.324	4	113.0725	0.105	4	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]C)(H)	112.1750	0.400	2	112.1750	0.160	2	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	112.4643	1.190	3	112.7390	1.246	4	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	113.5630	0.000	1	112.7390	1.246	4	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	110.7130	0.000	1	110.7130	0.000	1	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(H)	111.3685	0.636	2	111.3685	0.404	2	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(H)	110.4995	0.460	4	110.4995	0.212	4	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(H)	110.8885	2.393	4	110.8885	5.725	4	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(H)	111.3706	0.543	7	111.3706	0.295	7	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	O[6](C[6]C[6]O[6]H)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]CO){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]O[6]C)(H)	109.4760	0.000	1	109.4760	0.000	1	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(H)	111.0410	0.000	1	111.0410	0.000	1	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|N<3>,1|P<4>,2|H<1>}	O(C[6]C[6]O[6]C)(H)	110.0710	0.000	1	110.0710	0.000	1	110.9984	3.385	45	111.0263	3.641	49	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CO)	O(C[6]C[5,6]O[6]C)(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC){2|O<2>,4|C<4>}	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5,6]O[6]C)(CH3)	110.6170	0.000	1	110.6170	0.000	1	110.6170	0.000	1	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO){1|H<1>,1|N<2>,2|O<2>,3|C<4>}	O(C[6]C[6]O[6]C)(CH3)	109.6020	0.000	1	110.6222	0.335	5	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.7420	0.000	1	110.6222	0.335	5	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6]O[6]C)(CH3)	110.9223	0.089	3	110.6222	0.335	5	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]2H)(C[6]C[6]CO){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6]O[6]C)(CH3)	110.0870	0.000	1	110.0870	0.000	1	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.7280	0.000	1	110.2770	0.268	56	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.4270	0.000	1	110.2770	0.268	56	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]O[6]C)(CH3)	110.6507	0.507	3	110.2770	0.268	56	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|H<1>,2|F<1>,2|O<2>,3|C<4>}	O(C[6]C[6]O[6]C)(CH3)	110.4320	0.000	2	110.2770	0.268	56	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6]O[6]C)(CH3)	110.0502	0.341	11	110.2770	0.268	56	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|S<2>,2|C<4>,2|H<1>,3|O<2>}	O(C[6]C[6]O[6]C)(CH3)	109.4130	0.000	1	110.2770	0.268	56	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|C<4>,2|H<1>,4|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.9750	0.000	1	110.2770	0.268	56	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6]O[6]C)(CH3)	110.2555	0.047	2	110.2770	0.268	56	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.2173	0.575	29	110.2770	0.268	56	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(CH3)	110.7574	0.135	5	110.2770	0.268	56	110.3018	0.273	62	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(CH3)	111.0530	0.000	1	111.0530	0.000	1	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	O[6](C[6]C[6,6]HH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6,6]HH)(C[6]C[6]CO){2|H<1>,3|C<4>}	O(C[6]C[6]O[6]C)(CH3)	110.4620	0.000	1	110.4620	0.000	1	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]C)(CC[6a]CH)	104.6700	0.000	1	104.6700	0.000	1	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]C)(CCCH)	111.8100	0.444	2	111.8100	0.197	2	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(CCHH)	111.8040	0.000	1	111.8040	0.000	1	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.9090	0.000	1	110.9090	0.000	1	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|N<3>,4|H<1>}	O(C[6]C[6]O[6]C)(CCHH)	110.5080	0.000	1	110.5080	0.000	1	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[3]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6]C[3]C[6]H)(C[6]C[6]CO){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]O[6]C)(CH3)	110.4050	0.000	1	110.4050	0.000	1	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6]O[6]C)(CH3)	109.8430	0.000	1	110.4417	0.316	4	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO)	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>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6]O[6]C)(CH3)	110.6413	0.485	3	110.4417	0.316	4	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.7675	0.018	2	110.6611	0.042	12	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	O(C[6]C[6]O[6]C)(CH3)	110.6259	0.228	9	110.6611	0.042	12	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.7650	0.000	1	110.6611	0.042	12	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CC)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.4728	0.732	6	110.4728	0.536	6	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]O[6]C)(CCHH)	110.2555	0.718	2	110.2555	0.515	2	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.0885	0.084	2	110.4518	0.178	10	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|O<1>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.3080	0.389	2	110.4518	0.178	10	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	109.9500	0.000	1	110.4518	0.178	10	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	111.1470	0.000	1	110.4518	0.178	10	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.6570	0.279	4	110.4518	0.178	10	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.6850	0.000	1	110.5252	0.169	9	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.4927	0.468	6	110.5252	0.169	9	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:2:4:2:	4:4:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	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>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]O[6]C)(CH3)	110.5430	0.470	2	110.5252	0.169	9	110.4947	0.938	52	110.3917	0.576	115	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:3:2:2:	4:4:	4:1:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH)	O[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]HH)	O(C[6]C[5,6]C[6a]O[6])(H)	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH){2|C<4>,4|C<3>,5|H<1>}	O[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[5,6]C[6a]O[6])(H)	110.9330	0.000	1	110.9330	0.000	1	110.9330	0.000	1	110.4860	0.400	2	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:3:2:2:	4:4:	4:1:	C[6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6]-4:	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)	O[6](C[6]C[5,6]C[6a]2)(C[6]C[6a]C[6]O)	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>}	O[6](C[6]C[5,6]C[6a]2)(C[6]C[6a]C[6]O){1|Ru<10>,1|H<1>,2|C<4>,7|C<3>}	O(C[6]C[6a]C[6]O[6])(H)	110.0390	0.000	1	110.0390	0.000	1	110.0390	0.000	1	110.4860	0.400	2	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:3:2:2:	4:4:	4:4:	C[6]-4:C[6a]-3:O[6]-2:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6]O)	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>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6]O){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]O[6])(CH3)	111.1595	1.589	2	111.1595	2.525	2	111.1595	2.525	2	111.1595	2.525	2	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:4:2:2:	4:2:	4:1:	C[3]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:O[6]-2:	C[6]-4:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]HH)(O[6]O[6])(OH)	O[6](C[6]C[3]C[6]O)(O[6]C[5,6])	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>}	O[6](C[6]C[3]C[6]O)(O[6]C[5,6]){3|H<1>,5|C<4>}	O(C[6]C[3]C[6]O[6])(H)	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[5,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	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)	O[6](C[6]C[5,6]C[6]O)(C[6]C[6,6]HH)	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>}	O[6](C[6]C[5,6]C[6]O)(C[6]C[6,6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6]O[6])(H)	107.6380	0.000	1	107.6380	0.000	1	107.6380	0.000	1	108.9915	3.664	2	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:4:2:2:	4:4:	4:1:	C[6]-4:C[5]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH)	O[6](C[6]C[5]C[6]O)(C[6]C[6,6]CH)	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>}	O[6](C[6]C[5]C[6]O)(C[6]C[6,6]CH){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5]C[6]O[6])(H)	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	108.9915	3.664	2	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC)	O[6](C[6]C[5]C[6]O)(C[6]C[6]CH)	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>}	O[6](C[6]C[5]C[6]O)(C[6]C[6]CH){1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[5]C[6]O[6])(CH3)	111.9280	0.000	2	111.9280	0.000	2	111.7697	0.075	3	111.7697	0.075	3	110.2351	5.036	829	109.9939	5.535	922
466	622	893	0:SP3_SP3_SP3	C[6]	O[6]	O	4:4:2:2:	4:4:	4:4:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC)	O[6](C[6]C[5]C[6]O)(C[6]C[6]CH)	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>}	O[6](C[6]C[5]C[6]O)(C[6]C[6]CH){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5]C[6]O[6])(CH3)	111.4530	0.000	1	111.4530	0.000	1	111.7697	0.075	3	111.7697	0.075	3	110.2351	5.036	829	109.9939	5.535	922
466	622	899	0:SP3_SP-NON_SP3	C[6]	O[6]	C	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:C-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(C)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	C(C[6]C[6]O[6]H)	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[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)	106.5740	0.000	1	106.5740	0.000	1	106.5740	0.000	1	106.5740	0.000	1	106.5740	0.000	1	106.5740	0.000	1
466	622	902	0:SP3_SP2_SP3	C[6]	O[6]	C[3]	3:4:2:1:	4:4:	4:4:2:	C[3]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:Si[6]-4:	C[6]-4:C[3]-4:N[3]-2:	C[6](C[3]C[3]N[3])(C[6]C[6]HO)(O[6]Si[6])(H)	O[6](C[6]C[3]C[6]H)(Si[6]O[6]CC)	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3])	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[6](C[6]C[3]C[6]H)(Si[6]O[6]CC){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]){1|Si<4>,1|C<4>,1|H<1>,1|O<2>}	108.0490	0.000	2	108.0490	0.000	2	108.0490	0.000	2	108.0490	0.000	2	108.0490	0.000	2	108.0490	0.000	2
466	622	909	0:SP3_SP2_SP2	C[6]	O[6]	S	2:4:2:1:	3:4:	4:3:	O[6]-2:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(SC[6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(SC[6a])(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS){1|C<4>,2|C<3>,3|H<1>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1
466	622	909	0:SP3_SP2_SP3	C[6,6]	O[6,6]	S	4:2:2:1:	4:4:	4:3:	C[3x6]-4:O[6,6]-2:S-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:C[6a]-3:	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(SC[6a])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)	S(C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(SC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	S(C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]2)	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	3:2:2:1:	4:4:	4:3:	C[6]-3:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]H)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]H)(O[6]C[6])(SC[6a])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<3>,1|O<2>,2|H<1>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	110.7875	1.275	2	110.7875	1.625	2	110.7875	1.625	2	110.7875	1.625	2	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	3:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[5a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)	107.2410	0.000	1	107.2410	0.000	1	108.5133	1.223	3	108.4237	0.923	7	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	3:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[5a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[5a]N[5a]O[5a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[5a]N[5a]O[5a])(C[6]C[6]O[6]H)	109.2420	0.000	1	109.2420	0.000	1	108.5133	1.223	3	108.4237	0.923	7	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	3:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[5a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[5a]N[5a]S[5a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[5a]N[5a]S[5a])(C[6]C[6]O[6]H)	109.0570	0.000	1	109.0570	0.000	1	108.5133	1.223	3	108.4237	0.923	7	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	3:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	108.4410	0.000	1	108.4410	0.000	1	108.3565	1.017	4	108.4237	0.923	7	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	3:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	107.6275	0.309	2	107.6275	0.095	2	108.3565	1.017	4	108.4237	0.923	7	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	3:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HS)	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	109.7300	0.000	1	109.7300	0.000	1	108.3565	1.017	4	108.4237	0.923	7	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[5,6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HS)	S(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HS){1|C<4>,3|O<2>,4|H<1>}	S(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)	113.0360	0.000	1	113.1150	0.012	2	113.1150	0.012	2	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[5,6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HS)	S(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HS){1|C<4>,3|O<2>,4|H<1>}	S(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)	113.1940	0.000	1	113.1150	0.012	2	113.1150	0.012	2	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6,6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6,6]HS)(C[6]C[6]CH)	S(C[6]C[6,6]O[6]H)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(SC[6a])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[6,6]HS)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6,6]O[6]H)(C[6a]C[6a]2)	109.4670	0.000	1	109.4670	0.000	1	111.6455	9.492	2	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6,6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6,6]HH)(C[6]C[6,6]HS)	S(C[6]C[6,6]O[6]H)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(SC[6a])(H){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6]HH)(C[6]C[6,6]HS){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	S(C[6]C[6,6]O[6]H)(C[6a]C[6a]2)	113.8240	0.000	1	113.8240	0.000	1	111.6455	9.492	2	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6a]C[6a]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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,3|O<2>,4|H<1>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	114.0260	0.000	1	110.6135	23.290	2	110.6135	23.290	2	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6a]C[6a]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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,3|O<2>,4|H<1>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	107.2010	0.000	1	110.6135	23.290	2	110.6135	23.290	2	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(CCO)	106.6310	1.558	2	106.6310	2.429	2	108.1327	3.689	6	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CC[5]O)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(CC[5]O)	107.0820	0.000	1	107.0820	0.000	1	108.1327	3.689	6	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CC[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(CC[6]S)	111.1570	0.000	1	111.1570	0.000	1	108.1327	3.689	6	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CC[6a]N)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(CC[6a]N)	108.0460	0.000	1	108.0460	0.000	1	108.1327	3.689	6	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CNS)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(CNS)	109.2490	0.000	1	109.2490	0.000	1	108.1327	3.689	6	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HS){1|C<4>,1|O<2>,3|H<1>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	113.3700	0.000	1	113.3700	0.000	1	110.5682	12.674	13	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[5,6]HO)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	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[6](C[6]C[5,6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	106.3460	2.964	3	106.3460	8.786	3	110.5682	12.674	13	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6,6]HO)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	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[6](C[6]C[6,6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	112.9350	0.000	1	112.9350	0.000	1	110.5682	12.674	13	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	113.8470	0.000	1	113.8470	0.000	1	110.5682	12.674	13	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6a]C[6a]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[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)	111.6513	2.986	6	111.6513	8.919	6	110.5682	12.674	13	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6a]N[6a]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[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(C[6a]N[6a]2)	108.2880	0.000	1	108.2880	0.000	1	110.5682	12.674	13	110.2772	10.504	25	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP2_SP3	C[6]	O[6]	S	4:2:2:3:	4:4:	4:3:	C[6]-4:O[6]-2:S-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(COO)	O[6](C[6]C[5,6]CH)(C[6]C[6]CS)	S(C[6]C[6]O[6]C)(C[6a]C[6a]2)	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(COO){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]CS){1|C<4>,1|N<3>,3|H<1>}	S(C[6]C[6]O[6]C)(C[6a]C[6a]2)	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	109.9894	8.367	35	110.0102	8.143	36
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	3:2:2:1:	4:4:	4:1:	C[6]-3:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]O)(O[6]C[6])(SH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]O)(O[6]C[6])(SH)(H){1|C<1>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(H)	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:2:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:S-2:	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(SS)	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(SS)	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[5,6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(SC)(H)	O[6](C[6]C[5,6]HS)(C[6]C[6]CH)	S(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(SC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HS)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	S(C[6]C[5,6]O[6]H)(CCHH)	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(SC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(SC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	S(C[6]C[6]O[6]H)(CCHH)	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[5]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[5]C[5,6a]C[6a]C[5])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[5]C[5,6a]C[6a]C[5])(C[6]C[6]O[6]H)	108.2480	0.000	1	108.2480	0.000	1	108.2480	0.000	1	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CCHS)	C[6](C[6]C[6]HH)(O[6]C[6])(SC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HS){1|C<4>,4|H<1>}	S(C[6]C[6]O[6]H)(CCHS)	111.5347	2.747	3	111.5347	7.545	3	109.7795	5.882	17	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CHHS)	C[6](C[6]C[6]HH)(O[6]C[6])(SC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HS){1|C<4>,4|H<1>}	S(C[6]C[6]O[6]H)(CHHS)	112.8870	0.000	1	112.8870	0.000	1	109.7795	5.882	17	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HN)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CC[5]HH)	C[6](C[6]C[6]HN)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	S(C[6]C[6]O[6]H)(CC[5]HH)	113.1280	0.000	1	113.1280	0.000	1	109.7795	5.882	17	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(CCHH)	109.4150	2.447	6	109.4150	5.987	6	109.7795	5.882	17	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CC[6a]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(CC[6a]CH)	107.4650	0.000	1	107.4650	0.000	1	109.7795	5.882	17	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(CC[6a]HH)	107.6190	0.000	1	107.6190	0.000	1	109.7795	5.882	17	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(CH3)	108.6680	0.000	1	108.6680	0.000	1	109.7795	5.882	17	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CH3)	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[6](C[6]C[6a]C[6]H)(C[6]C[6]HS){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(CH3)	108.6080	1.266	2	108.6080	1.602	2	109.7795	5.882	17	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(SC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	S(C[6]C[6]O[6]H)(CCHH)	108.1740	0.000	1	108.1740	0.000	1	109.7795	5.882	17	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:S-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(SCOO)	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(SCOO)	108.1560	0.000	1	108.1560	0.000	1	108.4787	0.078	3	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	909	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:S-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(SC[6a]OO)	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(SC[6a]OO)	108.6400	0.000	2	108.6400	0.000	2	108.4787	0.078	3	109.4100	4.839	23	109.4200	4.963	25	109.4200	4.963	25
466	622	914	0:SP3_SP2_SP2	C[6,6]	O[6]	N[6]	4:2:2:4:	3:4:	4:3:	C[6,6]-4:O[6]-2:N[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[5,6]-3:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[5,6])(CH3)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	N[6](C[6,6]C[6,6]O[6]C)(C[5,6]N[5,6]S[5])	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[5,6])(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]O[6]C)(C[5,6]N[5,6]S[5]){1|C<3>,2|H<1>,3|C<4>}	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1
466	622	914	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:2:2:1:	4:4:	3:4:	C[6,6]-4:N[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a])(O[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H){2|C<4>,2|H<1>,3|C<3>}	112.5870	0.000	1	112.5870	0.000	1	112.5870	0.000	1	112.5870	0.000	1	109.1613	8.850	3	109.1613	8.850	3
466	622	914	0:SP3_SP2_SP3	C[6,6]	O[6]	N[6]	4:2:2:1:	4:4:	4:3:	C[6,6]-4:N[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6])(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O){1|O<2>,2|C<4>,3|H<1>}	107.4485	0.313	2	107.4485	0.098	2	107.4485	0.098	2	107.4485	0.098	2	109.1613	8.850	3	109.1613	8.850	3
466	622	914	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	2:2:3:1:	3:4:	3:4:	O[6]-2:N[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6])(CCO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]CH)	C[6](O[6]C[6,6a])(N[6]C[6])(CCO)(H){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]CH){4|C<3>}	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	112.5898	9.234	4	112.5898	9.234	4
466	622	914	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:1:	3:4:	3:4:	O[6]-2:N[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(N[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|Br<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	108.2590	0.000	1	108.2590	0.000	1	108.2590	0.000	1	108.2590	0.000	1	112.5898	9.234	4	112.5898	9.234	4
466	622	914	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:1:	4:3:	4:3:	C[6a]-3:N[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])	N[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H){2|H<1>,5|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	112.8310	0.000	1	112.8310	0.000	1	112.8310	0.000	1	112.8310	0.000	1	112.5898	9.234	4	112.5898	9.234	4
466	622	914	6:SP3_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:4:	4:3:	4:3:	C[6a]-3:N[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH)	O[6](C[6]C[6a]N[6]C)(C[6]C[6]C)	N[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]N[6]C)(C[6]C[6]C){1|H<1>,3|C<3>}	N[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	112.5898	9.234	4	112.5898	9.234	4
466	622	921	0:SP3_SP2_SP3	C[6]	O[6]	Se	4:2:2:1:	3:4:	4:3:	C[6]-4:O[6]-2:Se-2:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HH)(O[6]C[6,6])(SeC[6a])(H)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]SeH)	Se(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HH)(O[6]C[6,6])(SeC[6a])(H){2|C<3>,2|H<1>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]SeH){1|C<4>,2|H<1>,3|C<3>}	Se(C[6]C[6]O[6]H)(C[6a]C[6a]2)	110.0390	0.000	1	110.0390	0.000	1	110.0390	0.000	1	110.0390	0.000	1	110.0390	0.000	1	110.0390	0.000	1
466	622	921	0:SP3_SP3_SP3	C[6]	O[6]	Se	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:Se-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SeC)(H)	O[6](C[6]C[6]SeH)(C[6]C[6]CH)	Se(C[6]C[6]O[6]H)(CCHH)	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[6](C[6]C[6]SeH)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	Se(C[6]C[6]O[6]H)(CCHH)	113.5330	0.000	1	113.5330	0.000	1	113.1440	0.303	2	113.1440	0.303	2	113.1440	0.303	2	113.1440	0.303	2
466	622	921	0:SP3_SP3_SP3	C[6]	O[6]	Se	4:2:2:1:	4:4:	4:4:	C[6]-4:O[6]-2:Se-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HS)(O[6]C[6])(SeC)(H)	O[6](C[6]C[6]SeH)(C[6]C[6]HH)	Se(C[6]C[6]O[6]H)(CF3)	C[6](C[6]C[6]HS)(O[6]C[6])(SeC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]SeH)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>}	Se(C[6]C[6]O[6]H)(CF3)	112.7550	0.000	1	112.7550	0.000	1	113.1440	0.303	2	113.1440	0.303	2	113.1440	0.303	2	113.1440	0.303	2
466	622	922	0:SP3_SP3_SP3	C[6,6]	O[6]	S[6]	4:3:2:1:	4:4:	4:4:1:	C[6,6]-4:S[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6]H)(S[6]C[6]O)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH)	S[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6]H)(S[6]C[6]O)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	S[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1
466	622	924	0:SP3_SP-NON_SP2	C[6]	O[6]	Br	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:Br-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br)	O[6](C[6]C[6]BrC)(C[6]C[6]O)	Br(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br){1|C<4>,1|O<1>}	O[6](C[6]C[6]BrC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	Br(C[6]C[6]O[6]C)	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1
466	622	930	0:SP3_SP2_SP2	C[6,6]	O[6]	C	2:2:3:3:	3:4:	4:2:1:	O[6,6]-2:O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C)	C(C[6,6]O[6,6]C[6]O[6])(OC)(O)	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C(C[6,6]O[6,6]C[6]O[6])(OC)(O)	104.9410	0.000	1	104.9410	0.000	1	104.9410	0.000	1	104.9410	0.000	1	107.2640	10.206	11	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6,6]	O[6]	C	3:2:4:3:	3:4:	4:2:1:	C[6,6]-3:O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(COO){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	107.2640	10.206	11	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6,6]	O[6]	C	4:2:2:3:	3:4:	4:2:1:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C[5a,6]-3:C[6,6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(COO)	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]C)	C(C[6,6]C[6,6]O[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C(C[6,6]C[6,6]O[6]2)(OC)(O)	100.2980	0.000	1	100.2980	0.000	1	100.2980	0.000	1	105.3560	51.167	2	107.2640	10.206	11	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6,6]	O[6]	C	4:2:2:3:	3:4:	4:2:1:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C(C[6,6]C[6,6]O[6]2)(OC)(O)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]O[6]2)(OC)(O)	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	105.3560	51.167	2	107.2640	10.206	11	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6,6]	O[6]	C	4:2:2:3:	3:4:	4:3:1:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6]2F)(O[6]C[6,6a])(O[6]C[6])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	C[6,6](C[6,6]C[6]2F)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	107.2640	10.206	11	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6,6]	O[6]	C	4:2:3:3:	3:4:	4:2:1:	C[6,6]-4:O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6a]N[6]H)(O[6]C[6,6a])(C[6]O[6]O)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	C[6,6](C[6,6]C[6,6a]N[6]H)(O[6]C[6,6a])(C[6]O[6]O)(COO){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	105.4590	0.000	1	105.4590	0.000	1	105.4590	0.000	1	105.4590	0.000	1	107.2640	10.206	11	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6,6]	O[6]	C	4:2:4:3:	3:4:	4:2:1:	C[6,6]-4:O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	107.5930	0.000	1	107.5930	0.000	1	107.4920	0.020	2	107.4920	0.020	2	107.2640	10.206	11	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6,6]	O[6]	C	4:2:4:3:	3:4:	4:2:1:	C[6,6]-4:O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6]2Cl)(O[6]C[6,6a])(C[6]C[6]HO)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	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[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(OC)(O)	107.3910	0.000	1	107.3910	0.000	1	107.4920	0.020	2	107.4920	0.020	2	107.2640	10.206	11	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6,6]	O[6]	C	4:3:2:3:	3:4:	4:2:1:	C[6,6]-4:N[6]-3:O[6]-2:C-3:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C(C[6,6]C[6,6]N[6]O[6])(OC)(O)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(COO){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]N[6]O[6])(OC)(O)	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	107.2640	10.206	11	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6,6]	O[6]	C	4:4:2:3:	4:3:	4:4:1:	C[5,6]-4:C[6,6]-4:O[6]-2:C-3:	C[6,6]-4:C[6]-3:	C[6,6]-4:C-4:O-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO)	O[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]O)	C(C[6,6]C[5,6]C[6,6]O[6])(CH3)(O)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]O[6])(CH3)(O)	106.3550	0.099	2	106.3550	0.010	2	106.3550	0.010	2	106.3550	0.010	2	107.2640	10.206	11	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:2:3:1:	3:4:	4:3:2:	O[6]-2:N[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-3:O-2:	C[6](O[6]C[6,6a])(N[6]C[6])(CCO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C(C[6]N[6]O[6]H)(CC[6a]H)(OC)	C[6](O[6]C[6,6a])(N[6]C[6])(CCO)(H){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,3|C<3>}	C(C[6]N[6]O[6]H)(CC[6a]H)(OC)	105.9020	0.000	1	105.9020	0.000	1	105.9020	0.000	1	105.9020	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:2:3:1:	3:4:	4:4:1:	O[6]-2:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:C-4:H-1:	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6]H)(C[6]O[6]CH)	C(C[6]O[6]2H)(CCHH)(H)	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H){2|C<4>,2|H<1>}	O[6](C[6]C[6,6]H)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	C(C[6]O[6]2H)(CCHH)(H)	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:2:4:3:	3:4:	4:3:1:	O[6]-2:O[6]-2:C-4:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C(C[6]O[6]2C)(CHH)(H)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|H<1>,3|C<3>}	C(C[6]O[6]2C)(CHH)(H)	113.1260	0.000	1	113.1260	0.000	1	113.1260	0.000	1	110.8235	10.603	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:2:4:3:	3:4:	4:3:1:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH)	O[6](C[6]C[6,6a]O)(C[6]O[6]CC)	C(C[6]O[6]2C)(CHH)(H)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CC){2|C<3>}	C(C[6]O[6]2C)(CHH)(H)	108.5210	0.000	1	108.5210	0.000	1	108.5210	0.000	1	110.8235	10.603	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:2:4:3:	4:3:	4:3:2:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:C[6]-3:	C[6]-4:C-3:C-2:	C[6](O[6]C[6])2(CC3)(CCC)	O[6](C[6]O[6]CC)(C[6]C[6]C)	C(C[6]O[6]2C)(CCO)(CO)	C[6](O[6]C[6])2(CC3)(CCC){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]C){2|C<3>}	C(C[6]O[6]2C)(CCO)(CO)	109.3810	0.000	1	109.3810	0.000	1	108.0665	3.456	2	108.0665	3.456	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:2:4:3:	4:3:	4:3:2:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:C[6]-3:	C[6]-4:C-3:C-2:	C[6](O[6]C[6])2(CC3)(CCC)	O[6](C[6]O[6]CC)(C[6]C[6]O)	C(C[6]O[6]2C)(CCO)(CO)	C[6](O[6]C[6])2(CC3)(CCC){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	C(C[6]O[6]2C)(CCO)(CO)	106.7520	0.000	1	106.7520	0.000	1	108.0665	3.456	2	108.0665	3.456	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:3:3:1:	3:4:	4:2:1:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(COO)(H){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(OC)(O)	110.6960	0.000	1	110.6960	0.000	1	110.5685	0.033	2	110.5685	0.033	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:3:3:1:	3:4:	4:2:1:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(H){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){2|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(OC)(O)	110.4410	0.000	1	110.4410	0.000	1	110.5685	0.033	2	110.5685	0.033	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:3:3:1:	3:4:	4:3:1:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CNO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(NC[6a]C)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CNO)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(NC[6a]C)(O)	104.0990	0.000	1	104.0990	0.000	1	104.0990	0.000	1	104.0990	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:3:3:1:	3:4:	4:4:1:	O[6]-2:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:O-1:	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C(C[6]N[6]O[6]H)(CCHH)(O)	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]N[6]O[6]H)(CCHH)(O)	110.4730	0.000	1	110.4730	0.000	1	110.4730	0.000	1	110.4730	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:3:3:2:	3:4:	4:2:1:	O[6]-2:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){2|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(OC)(O)	101.0950	0.000	1	101.0950	0.000	1	101.0950	0.000	1	101.0950	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:3:3:3:	3:4:	4:2:1:	O[6]-2:C[6]-3:N-3:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)	C(C[6]C[6]O[6]N)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN){2|H<1>,3|C<3>}	C(C[6]C[6]O[6]N)(OC)(O)	103.6420	0.000	1	103.6420	0.000	1	103.6420	0.000	1	103.6420	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:3:4:3:	3:4:	4:2:1:	O[6]-2:C[6]-3:C-4:C-3:	C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO)	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO){3|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC){1|H<1>,1|S<2>,3|C<3>}	C(C[6]C[6]O[6]C)(OC)(O)	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	106.2908	11.927	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:3:4:3:	3:4:	4:2:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO){2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|C<4>,2|C<3>,2|O<1>}	C(C[6]C[6]O[6]C)(OC)(O)	108.1725	0.592	2	108.1725	0.350	2	108.1725	0.350	2	106.2908	11.927	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:3:4:3:	3:4:	4:2:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	C(C[6]C[6]O[6]C)(OC)(O)	101.1480	0.000	1	101.1480	0.000	1	101.1480	0.000	1	106.2908	11.927	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:3:4:3:	3:4:	4:3:1:	O[6]-2:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6]O[6]C)(CCH)(H)	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:1:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(O)	105.7410	0.000	1	105.7410	0.000	1	109.1488	4.082	5	109.1488	4.082	5	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:1:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OH)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(OH)(O)	109.1370	0.000	1	109.1370	0.000	1	109.1488	4.082	5	109.1488	4.082	5	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:1:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(COO)(H){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(O)	109.7340	0.000	1	109.7340	0.000	1	109.1488	4.082	5	109.1488	4.082	5	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:1:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC[5])(O)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(COO)(H){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(OC[5])(O)	110.1440	0.000	1	110.1440	0.000	1	109.1488	4.082	5	109.1488	4.082	5	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:1:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OCa)(O)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(COO)(H){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(OCa)(O)	110.9880	0.000	1	110.9880	0.000	1	109.1488	4.082	5	109.1488	4.082	5	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:1:	3:4:	4:3:1:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	107.2530	0.000	1	107.2530	0.000	1	108.8315	4.983	2	108.8315	4.983	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:1:	3:4:	4:3:1:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CCH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CCH)(H){1|S<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(CHH)(H)	110.4100	0.000	1	110.4100	0.000	1	108.8315	4.983	2	108.8315	4.983	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:1:	3:4:	4:4:1:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CClHH)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCO)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(CClHH)(O)	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:2:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:N-2:O-1:	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(NC[6])(O)	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6]O)(NC[6])(O)	103.9370	0.000	1	103.9370	0.000	1	103.9370	0.000	1	103.0960	3.153	8	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:2:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]O)(OC)(O)	101.7780	0.000	1	102.2670	0.478	2	102.9759	3.544	7	103.0960	3.153	8	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:2:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]O)(OC)(O)	102.7560	0.000	1	102.2670	0.478	2	102.9759	3.544	7	103.0960	3.153	8	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:2:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(OC)(O)	103.2594	2.201	5	103.2594	4.845	5	102.9759	3.544	7	103.0960	3.153	8	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:3:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:N-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(NC[6a])(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2{2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(NC[6a])(O)	109.9550	0.000	1	109.6960	0.134	2	109.6960	0.134	2	108.3115	6.505	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:3:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:N-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(NC[6a])(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2{2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(NC[6a])(O)	109.4370	0.000	1	109.6960	0.134	2	109.6960	0.134	2	108.3115	6.505	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:3:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]N[6]CH)(COO)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(COO)2{1|S<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(OC)(O)	106.9270	3.422	2	106.9270	11.713	2	106.9270	11.713	2	108.3115	6.505	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:3:	3:4:	4:3:1:	O[6]-2:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(NCH)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2{2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(NCH)(O)	106.5170	0.311	2	106.5223	0.048	3	107.5923	4.611	4	107.5923	4.611	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:3:	3:4:	4:3:1:	O[6]-2:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(NCH)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2{2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(NCH)(O)	106.5330	0.000	1	106.5223	0.048	3	107.5923	4.611	4	107.5923	4.611	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:3:3:	3:4:	4:3:1:	O[6]-2:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(NC[6a]H)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2{2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(NC[6a]H)(O)	110.8020	0.000	1	110.8020	0.000	1	107.5923	4.611	4	107.5923	4.611	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:4:3:	3:4:	4:2:1:	O[6]-2:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(COO){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(OC)(O)	109.5060	0.638	2	109.5060	0.407	2	109.5060	0.407	2	109.5060	0.407	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:4:3:	3:4:	4:3:1:	O[6]-2:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]C)(CHH)(H)	106.0710	1.875	2	106.0710	3.517	2	106.0710	3.517	2	107.1908	6.257	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	2:4:4:3:	3:4:	4:3:1:	O[6]-2:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CNO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(NHH)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CNO){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(NHH)(O)	108.3105	3.200	2	108.3105	10.238	2	108.3105	10.238	2	107.1908	6.257	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	3:2:2:3:	3:4:	4:3:1:	C[6a]-3:O[6]-2:O[6]-2:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C){1|H<1>,5|C<3>}	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	112.9420	1.090	2	112.9420	1.189	2	112.9420	1.189	2	112.9420	1.189	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	3:2:2:3:	4:3:	4:3:1:	C[6a]-3:O[6]-2:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH)	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O){4|C<3>}	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	107.2525	0.316	2	107.2525	0.100	2	107.2525	0.100	2	108.2960	3.317	3	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	3:2:2:3:	4:3:	4:3:1:	C[6a]-3:S[6]-2:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH)	O[6](C[6]C[6a]S[6]C)(C[6]C[6,6a]O)	C(C[6]C[6a]O[6]S[6])(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]S[6]C)(C[6]C[6,6a]O){4|C<3>}	C(C[6]C[6a]O[6]S[6])(CC[6a]2)(H)	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	108.2960	3.317	3	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	3:2:3:1:	3:4:	4:2:1:	N[6]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C(C[6]N[6]O[6]H)(OC)(O)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]N[6]O[6]H)(OC)(O)	105.9620	0.000	1	105.9620	0.000	1	105.9620	0.000	1	105.9620	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	3:2:3:1:	4:3:	4:2:1:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	C(C[6]C[6,6a]O[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	C(C[6]C[6,6a]O[6]H)(OC)(O)	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	3:2:3:1:	4:3:	4:3:1:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	C(C[6]C[6,6a]O[6]H)(CHH)(H)	109.0870	0.204	2	109.0870	0.041	2	109.0870	0.041	2	109.0870	0.041	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	3:2:3:1:	4:3:	4:4:3:	C[6,6]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:C-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	C(C[6]C[6,6]O[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]O){1|H<1>,2|C<3>}	C(C[6]C[6,6]O[6]H)(CH3)(CHH)	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	3:2:4:3:	3:4:	4:2:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO)	O[6](C[6]C[6,6]O)(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO){1|C<3>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]O)(C[6]C[6]CC){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(OC)(O)	108.8006	2.243	5	108.8006	5.029	5	108.8006	5.029	5	108.8006	5.029	5	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	3:3:2:3:	3:4:	4:3:1:	C[6,6a]-3:C[5a]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]C)	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]C){1|H<1>,1|S<2>,5|C<3>}	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	3:3:2:3:	4:3:	4:2:1:	C[6a]-3:N[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6a]N[6]C)(C[6]C[6]O)	C(C[6]C[6a]N[6]O[6])(OC)(O)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C(C[6]C[6a]N[6]O[6])(OC)(O)	106.3180	0.000	1	106.3180	0.000	1	106.3180	0.000	1	106.3180	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	3:3:2:3:	4:3:	4:3:3:	C[6,6a]-3:C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C)	O[6](C[6]C[6,6a]C[6]C)(C[6]C[6a]C[6])	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C){1|Ir<8>,1|H<1>,6|C<3>}	O[6](C[6]C[6,6a]C[6]C)(C[6]C[6a]C[6]){1|N<3>,6|C<3>}	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	104.6480	0.000	1	104.6480	0.000	1	104.6480	0.000	1	104.6480	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	3:4:2:3:	4:3:	4:4:1:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C)	C(C[6]C[6a]C[6]O[6])(CCHH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(CCHH)(O)	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	109.6340	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:2:1:	C[5,6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(COO)(H)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)	C(C[6]C[5,6]O[6]H)(OC)(O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(COO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[5,6]CH){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[5,6]O[6]H)(OC)(O)	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	107.7405	3.443	6	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(COO)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(COO)(H){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(O)	105.4800	0.000	1	105.4800	0.000	1	105.4800	0.000	1	107.7405	3.443	6	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(OC)(O)	109.1220	0.000	1	108.7827	0.273	3	107.9162	3.185	4	107.7405	3.443	6	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(OC)(O)	108.6130	0.611	2	108.7827	0.273	3	107.9162	3.185	4	107.7405	3.443	6	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(O)	105.3170	0.000	1	105.3170	0.000	1	107.9162	3.185	4	107.7405	3.443	6	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H)	O[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]CH){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]O[6]H)(CCH)(H)	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	108.7344	3.108	12	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CC[6a]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CC[6a]O)(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	110.9037	0.279	3	110.9037	0.078	3	110.9037	0.078	3	108.7344	3.108	12	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[5,6]HH)(O[6]C[6,6a])(CNO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(NHH)(O)	C[6](C[6]C[5,6]HH)(O[6]C[6,6a])(CNO)(H){1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(NHH)(O)	109.0930	0.000	1	109.0930	0.000	1	109.8390	1.113	2	108.7344	3.108	12	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[5a]O[6]H)(O[6]C[6,6a])(CNO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(NC[6a]H)(O)	C[6](C[6]C[5a]O[6]H)(O[6]C[6,6a])(CNO)(H){1|S<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(NC[6a]H)(O)	110.5850	0.000	1	110.5850	0.000	1	109.8390	1.113	2	108.7344	3.108	12	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(H)	106.8360	0.000	1	106.8360	0.000	1	107.7836	0.403	5	108.7344	3.108	12	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|S<4>,2|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(CHH)(H)	108.0205	0.404	4	108.0205	0.163	4	107.7836	0.403	5	108.7344	3.108	12	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6a]O)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6a]O)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	105.6630	0.000	1	105.6630	0.000	1	105.6630	0.000	1	108.7344	3.108	12	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:4:3:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CCC)(H)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)(CCH)	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	107.4220	2.110	3	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:4:3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)(CCH)	106.3080	0.000	1	106.6005	0.171	2	106.6005	0.171	2	107.4220	2.110	3	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	3:4:	4:4:3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)(CCH)	106.8930	0.000	1	106.6005	0.171	2	106.6005	0.171	2	107.4220	2.110	3	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:2:1:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(O[6]C[6])(COO)(H)	O[6](C[6]C[6,6]CH)(C[6]C[5a,6]O)	C(C[6]C[6,6]O[6]H)(OC)(O)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(O[6]C[6])(COO)(H){1|O<1>,4|C<3>}	O[6](C[6]C[6,6]CH)(C[6]C[5a,6]O){1|C<4>,3|C<3>}	C(C[6]C[6,6]O[6]H)(OC)(O)	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(O)	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	2	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:3:1:	C[5,6,6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H)	O[6](C[6]C[5,6,6]CH)(C[6]O[6]O)	C(C[6]C[5,6,6]O[6]H)(CHH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[5,6,6]CH)(C[6]O[6]O){1|H<1>,2|C<4>}	C(C[6]C[5,6,6]O[6]H)(CHH)(H)	106.3480	0.000	1	106.3480	0.000	1	106.3480	0.000	1	106.4986	2.753	11	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:3:1:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]H)	C(C[6]C[6,6]O[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]O[6]H)(CHH)(H)	105.9460	0.000	1	105.9460	0.000	1	105.9460	0.000	1	106.4986	2.753	11	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:3:1:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:N[5]-3:O-1:	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(CN[5]O)(H)	O[6](C[6]C[6,6]CH)(C[6]N[6]C)	C(C[6]C[6,6]O[6]H)(N[5]C[5]2)(O)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(CN[5]O)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[6](C[6]C[6,6]CH)(C[6]N[6]C){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6,6]O[6]H)(N[5]C[5]2)(O)	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	106.4986	2.753	11	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|F<1>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	107.6850	1.643	2	107.6850	2.700	2	105.9813	2.081	7	106.4986	2.753	11	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(CCH)(H)	106.4320	0.000	1	106.4320	0.000	1	105.9813	2.081	7	106.4986	2.753	11	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C(C[6]C[6]O[6]H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6]H)(H)	105.1330	0.000	2	105.1330	0.000	2	105.9813	2.081	7	106.4986	2.753	11	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	104.9030	0.000	1	104.9030	0.000	1	105.9813	2.081	7	106.4986	2.753	11	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,1|S<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<3>,4|H<1>}	C(C[6]C[6]O[6]H)(CHH)(H)	104.8980	0.000	1	104.8980	0.000	1	105.9813	2.081	7	106.4986	2.753	11	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	107.3400	0.000	1	107.3400	0.000	1	107.3400	0.000	1	106.4986	2.753	11	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:3:3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-3:C-3:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]C)	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H){1|H<1>,5|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	106.2150	0.000	1	106.2150	0.000	1	106.2150	0.000	1	106.2150	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:1:	4:3:	4:4:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-4:O-1:	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C(C[6]C[6]O[6]H)(CH3)(O)	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H){1|O<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CH3)(O)	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:2:	3:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[5,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH){1|H<1>,3|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO){1|N<2>,2|H<1>,3|C<4>}	C(C[6]C[6]O[6]O)(OC)(O)	102.5850	0.000	1	102.5850	0.000	1	102.5850	0.000	1	104.8765	2.569	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:2:	3:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]O[6]O)(OC)(O)	105.6980	0.000	1	105.6403	0.354	3	105.6403	0.354	3	104.8765	2.569	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:2:	3:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]O)(OC)(O)	105.6115	0.838	2	105.6403	0.354	3	105.6403	0.354	3	104.8765	2.569	4	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:2:	4:3:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH)	O[6](C[6]C[6]CO)(C[6]C[6]C)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH){1|H<1>,3|C<3>}	O[6](C[6]C[6]CO)(C[6]C[6]C){1|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(OC)(O)	100.6730	0.000	1	100.6730	0.000	1	100.6730	0.000	1	100.6730	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:3:	3:4:	4:2:1:	C[6,6]-4:O[6]-2:C-3:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6]2S[6])(O[6]C[6,6a])(COO)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C(C[6]C[6,6]O[6]C)(OC)(O)	C[6](C[6,6]C[6]2S[6])(O[6]C[6,6a])(COO)2{1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|S<2>,4|C<3>}	C(C[6]C[6,6]O[6]C)(OC)(O)	104.7095	3.077	2	104.7095	9.466	2	104.7095	9.466	2	102.9784	13.723	3	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:3:	3:4:	4:2:1:	C[6]-4:O[6]-2:N-3:C-3:	C[6,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CN)	C(C[6]C[6]O[6]N)(OC)(O)	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO){1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CN){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]O[6]N)(OC)(O)	99.5162	0.000	1	99.5162	0.000	1	99.5162	0.000	1	102.9784	13.723	3	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:3:	4:3:	4:2:1:	C[6,6]-4:O[6]-2:C-3:C-3:	C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(COO)2	O[6](C[6]C[6,6]CC)(C[6]C[6]O)	C(C[6]C[6,6]O[6]C)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(COO)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]C[6,6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]O[6]C)(OC)(O)	105.2155	4.655	2	105.2155	21.668	2	105.2155	21.668	2	105.7883	11.818	3	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:3:	4:3:	4:2:1:	C[6]-4:O[6]-2:C-3:C-3:	C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO)	O[6](C[6]C[6]CC)(C[6]C[6]O)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO){1|O<1>,2|C<3>}	O[6](C[6]C[6]CC)(C[6]C[6]O){1|Cl<1>,1|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(OC)(O)	106.9340	0.000	1	106.9340	0.000	1	106.9340	0.000	1	105.7883	11.818	3	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:3:3:	4:3:	4:3:1:	C[6]-4:O[6]-2:C-3:C-3:	C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO)	O[6](C[6]C[6]CC)(C[6]C[6]O)	C(C[6]C[6]O[6]C)(CC[6a]H)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO){1|O<1>,2|C<3>}	O[6](C[6]C[6]CC)(C[6]C[6]O){1|Cl<1>,1|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[6a]H)(H)	105.1890	0.000	1	105.1890	0.000	1	105.1890	0.000	1	105.1890	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:4:3:	3:4:	4:2:1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C(C[6]C[5]C[6]O[6])(OC)(O)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[5]C[6]O[6])(OC)(O)	108.8260	0.000	1	109.4986	3.170	5	109.4986	3.170	5	109.4986	3.170	5	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:4:3:	3:4:	4:2:1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C(C[6]C[5]C[6]O[6])(OC)(O)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[5]C[6]O[6])(OC)(O)	109.6220	2.459	3	109.4986	3.170	5	109.4986	3.170	5	109.4986	3.170	5	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:4:3:	3:4:	4:2:1:	C[5]-4:O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C(C[6]C[5]C[6]O[6])(OC)(O)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(COO){1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|O<2>,4|C<3>,4|H<1>}	C(C[6]C[5]C[6]O[6])(OC)(O)	109.8010	0.000	1	109.4986	3.170	5	109.4986	3.170	5	109.4986	3.170	5	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP2	C[6]	O[6]	C	4:2:4:3:	3:4:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[5,6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH)	O[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(CCC)(H)	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH){2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CC){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCC)(H)	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	107.3473	7.912	120	107.3403	8.028	131
466	622	930	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C	4:2:3:3:	4:4:	4:4:1:	C[4x6]-4:O[6,6]-2:C[6]-3:C-3:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C-4:O-1:	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO)	O[6,6](C[3x6]C[4x6]C[6]C)(C[3x6]C[6,6]2O)	C(C[3x6]C[4x6]O[6,6]C[6])(CBrHH)(O)	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO){1|O<2>,3|C<4>,4|H<1>}	O[6,6](C[3x6]C[4x6]C[6]C)(C[3x6]C[6,6]2O){1|Br<1>,1|C<3>,3|C<4>,4|H<1>}	C(C[3x6]C[4x6]O[6,6]C[6])(CBrHH)(O)	106.0680	0.264	2	106.0680	0.070	2	106.7563	1.456	3	106.7563	1.456	3	106.7563	1.456	3	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[3x6]	O[6,6]	C	4:2:3:3:	4:4:	4:4:1:	C[4x6]-4:O[6,6]-2:C[6]-3:C-3:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:C-4:O-1:	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO)	O[6,6](C[3x6]C[4x6]C[6]C)(C[3x6]C[6,6]2O)	C(C[3x6]C[4x6]O[6,6]C[6])(CC[5,5]HH)(O)	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO){1|O<2>,3|C<4>,4|H<1>}	O[6,6](C[3x6]C[4x6]C[6]C)(C[3x6]C[6,6]2O){1|Br<1>,1|C<3>,3|C<4>,4|H<1>}	C(C[3x6]C[4x6]O[6,6]C[6])(CC[5,5]HH)(O)	108.1330	0.000	1	108.1330	0.000	1	106.7563	1.456	3	106.7563	1.456	3	106.7563	1.456	3	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6,6]	O[6,6]	C	2:2:3:3:	4:4:	4:2:1:	O[6,6]-2:O[6]-2:C[6]-3:C-3:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO)	O[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]C)	C(C[6,6]O[6,6]C[6]O[6])(OC)(O)	C[6,6](O[6,6]C[6,6])(O[6]C[6,6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	O[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6,6]O[6,6]C[6]O[6])(OC)(O)	105.8240	0.000	1	105.8240	0.000	1	105.8240	0.000	1	105.8240	0.000	1	105.8240	0.000	1	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6,6]	O[6]	C	4:2:2:3:	4:4:	4:3:1:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C[6,6]-4:C[6]-4:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6]2F)(O[6]C[6,6a])(O[6]C[6])(CCH)	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	C[6,6](C[6,6]C[6]2F)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	105.6560	0.000	1	105.6560	0.000	1	107.0512	3.015	5	107.0512	3.015	5	106.3408	2.574	9	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6,6]	O[6]	C	4:2:2:3:	4:4:	4:3:1:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C[6,6]-4:C[6]-4:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CCH)	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)	C(C[6,6]C[6,6]O[6]2)(CCH)(H)	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CCH){2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]O[6]2)(CCH)(H)	107.4000	1.791	4	107.4000	3.208	4	107.0512	3.015	5	107.0512	3.015	5	106.3408	2.574	9	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6,6]	O[6]	C	4:3:2:3:	4:4:	4:3:1:	C[5,6,6]-4:C[6]-3:O[6]-2:C-3:	C[6,6]-4:C[6]-4:	C[6,6]-4:C-3:H-1:	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH)	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|O<2>}	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	105.6970	0.000	1	105.6970	0.000	1	105.6970	0.000	1	105.6970	0.000	1	106.3408	2.574	9	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6,6]	O[6]	C	4:4:2:3:	4:3:	4:2:1:	C[3,6,6]-4:C[6]-4:O[6]-2:C-3:	C[6,6]-4:N[6]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(O[6]N[6])(COO)	O[6](C[6,6]C[3,6,6]C[6]C)(N[6]C[6]C)	C(C[6,6]C[3,6,6]C[6]O[6])(OC)(O)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(O[6]N[6])(COO){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[3,6,6]C[6]C)(N[6]C[6]C){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]O[6])(OC)(O)	104.6130	0.000	1	104.6130	0.000	1	104.6130	0.000	1	104.6130	0.000	1	106.3408	2.574	9	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6,6]	O[6]	C	4:4:2:3:	4:4:	4:2:1:	C[5,6]-4:C[6,6]-4:O[6]-2:C-3:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:O-2:O-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)	O[6](C[5,6]C[5,6]N[5,5]C)(C[6,6]C[5,6]C[6,6]C)	C(C[6,6]C[5,6]C[6,6]O[6])(OC)(O)	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[6](C[5,6]C[5,6]N[5,5]C)(C[6,6]C[5,6]C[6,6]C){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]O[6])(OC)(O)	105.7505	1.384	2	105.7505	1.915	2	105.7505	1.915	2	105.7505	1.915	2	106.3408	2.574	9	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	2:2:3:1:	4:4:	4:4:1:	O[6]-2:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:H-1:	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	C(C[6]O[6]2H)(CCHH)(H)	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H){2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[6]O[6]2H)(CCHH)(H)	110.7020	0.000	1	110.7020	0.000	1	110.7020	0.000	1	110.7020	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	2:2:4:3:	4:4:	4:1:1:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6]-4:H-1:H-1:	C[6](O[6]C[6])2(CH3)(CHH)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C(C[6]O[6]2C)(H)2	C[6](O[6]C[6])2(CH3)(CHH){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	C(C[6]O[6]2C)(H)2	112.3830	0.000	1	107.7337	16.417	3	108.6700	14.451	4	108.6700	14.451	4	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	2:2:4:3:	4:4:	4:1:1:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6]-4:H-1:H-1:	C[6](O[6]C[6])2(CH3)(CHH)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C(C[6]O[6]2C)(H)2	C[6](O[6]C[6])2(CH3)(CHH){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	C(C[6]O[6]2C)(H)2	105.4090	0.639	2	107.7337	16.417	3	108.6700	14.451	4	108.6700	14.451	4	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	2:2:4:3:	4:4:	4:1:1:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6]-4:H-1:H-1:	C[6](O[6]C[6])2(CH3)(CHH)	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	C(C[6]O[6]2C)(H)2	C[6](O[6]C[6])2(CH3)(CHH){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]O[6]2C)(H)2	111.4790	0.000	1	111.4790	0.000	1	108.6700	14.451	4	108.6700	14.451	4	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	2:3:3:1:	4:4:	4:3:1:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:N-3:O-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CNO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(NHH)(O)	C[6](O[6]C[6,6])(C[6]C[6]H)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(NHH)(O)	113.3130	0.000	1	113.3130	0.000	1	113.3130	0.000	1	114.6960	3.825	2	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	2:3:3:1:	4:4:	4:3:1:	O[6]-2:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)	C(C[6]N[6]O[6]H)(CHH)(H)	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H){1|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH){1|S<4>,3|C<4>,3|H<1>}	C(C[6]N[6]O[6]H)(CHH)(H)	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	114.6960	3.825	2	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	3:2:3:1:	4:4:	4:3:1:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	O[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]CH)	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(CHH)(H)	106.4230	0.000	1	106.4230	0.000	1	106.4230	0.000	1	108.2330	6.552	2	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	3:2:3:1:	4:4:	4:3:1:	N[6]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H)	O[6](C[6]C[5,5,6,6]HH)(C[6]N[6]CH)	C(C[6]N[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H){2|C<4>,3|H<1>}	O[6](C[6]C[5,5,6,6]HH)(C[6]N[6]CH){1|S<4>,3|C<4>}	C(C[6]N[6]O[6]H)(C[6a]C[6a]2)(O)	110.0430	0.000	1	110.0430	0.000	1	110.0430	0.000	1	108.2330	6.552	2	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	3:2:3:2:	3:4:	4:3:1:	C[6]-3:O[6]-2:C-3:O-2:	N[6]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC)	O[6](N[6]C[6a]C[6])(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CO){2|H<1>,4|C<3>}	C(C[6]C[6]O[6]O)(C[6a]C[6a]2)(O)	106.8450	0.000	1	106.8450	0.000	1	106.8450	0.000	1	106.8450	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	3:2:3:2:	4:4:	4:3:1:	C[6,6a]-3:O[6]-2:C-3:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH)	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CO)	C(C[6]C[6,6a]O[6]O)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH){1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CO){1|C<4>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]O[6]O)(C[6a]C[6a]2)(O)	109.7840	0.000	2	109.7840	0.000	2	109.7840	0.000	2	109.7840	0.000	2	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	3:2:4:3:	3:4:	4:4:1:	C[6]-3:O[6]-2:C-4:C-3:	N[6]-3:C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO)	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(CCHH)(O)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO){1|C<3>,1|C<4>,1|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(CCHH)(O)	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	3:2:4:3:	4:2:	4:2:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:O[6]-2:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO)	O[6](C[6]C[6]CC)(O[6]C[6])	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO){2|C<4>}	O[6](C[6]C[6]CC)(O[6]C[6]){1|C<3>,3|H<1>}	C(C[6]C[6]O[6]C)(OC)(O)	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	3:2:4:3:	4:4:	4:2:1:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)(COO)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)(COO){1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC){1|O<1>,4|C<3>}	C(C[6]C[6]O[6]C)(OC)(O)	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	110.2030	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	3:4:2:3:	4:4:	4:3:1:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:2:3:	4:4:	4:2:1:	C[6]-4:O[6]-2:S-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(COO)	O[6](C[6]C[5,6]CH)(C[6]C[6]CS)	C(C[6]C[6]O[6]S)(OC)(O)	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(COO){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]CS){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]O[6]S)(OC)(O)	107.1800	0.000	1	107.1800	0.000	1	107.1800	0.000	1	107.1800	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	3:4:	4:3:1:	C[3x6]-4:O[6]-2:C-3:H-1:	N[5,6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[3x6]C[3x6]C[6]2)(O[6]N[5,6])(CCH)(H)	O[6](N[5,6]C[5,6,6]O[5])(C[6]C[3x6]CH)	C(C[6]C[3x6]O[6]H)(CCC)(H)	C[6](C[3x6]C[3x6]C[6]2)(O[6]N[5,6])(CCH)(H){1|O<2>,4|C<4>,5|H<1>}	O[6](N[5,6]C[5,6,6]O[5])(C[6]C[3x6]CH){1|H<1>,5|C<4>}	C(C[6]C[3x6]O[6]H)(CCC)(H)	103.5845	0.177	2	103.5845	0.032	2	103.5845	0.032	2	104.3800	1.914	3	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	3:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	N[6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H)	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H){1|C<4>,3|C<3>}	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(CHH)(H)	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	104.3800	1.914	3	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	3:4:	4:4:3:	C[6]-4:O[6]-2:C-3:H-1:	N[6]-3:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CF3)(CCC)	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H){1|C<4>,3|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(CF3)(CCC)	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:2:	4:3:3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:	C[6]-4:C-3:C-3:	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H)	O[6](C[6]C[6]CH)(O[6]C[6])	C(C[6]C[6]O[6]H)(CHH)(COO)	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H){1|C<4>}	O[6](C[6]C[6]CH)(O[6]C[6]){1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(CHH)(COO)	105.2810	0.000	1	106.8355	4.833	2	106.8355	4.833	2	106.8355	4.833	2	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:2:	4:3:3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:	C[6]-4:C-3:C-3:	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H)	O[6](C[6]C[6]CH)(O[6]C[6])	C(C[6]C[6]O[6]H)(CHH)(COO)	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H){1|C<4>}	O[6](C[6]C[6]CH)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CHH)(COO)	108.3900	0.000	1	106.8355	4.833	2	106.8355	4.833	2	106.8355	4.833	2	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:3:	4:3:1:	C[3x6]-4:O[6]-2:C-3:H-1:	C[6]-4:N[6]-3:	C[6]-4:C-3:H-1:	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H)	O[6](C[6]C[3x6]CH)(N[6]C[6]O)	C(C[6]C[3x6]O[6]H)(CCC)(H)	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[3x6]CH)(N[6]C[6]O){1|H<1>,3|C<4>}	C(C[6]C[3x6]O[6]H)(CCC)(H)	105.9110	4.141	2	105.9110	17.146	2	105.9110	17.146	2	105.9110	17.146	2	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:1:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C(C[6]C[6]O[6]H)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(CHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)(O)	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	108.2990	1.301	4	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:1:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]FH)	C(C[6]C[6]O[6]H)(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[6](C[6]C[6]CH)(C[6]C[6]FH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(O)2	108.6700	0.000	1	108.6700	0.000	1	108.1263	1.773	3	108.2990	1.301	4	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:1:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C(C[6]C[6]O[6]H)(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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(O)2	107.8545	1.761	2	107.8545	3.103	2	108.1263	1.773	3	108.2990	1.301	4	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:2:1:	C[5,6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C-2:H-1:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C(C[6]C[5,6]O[6]H)(CC)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCH)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(CC)(H)	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	107.1349	4.025	22	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[6]O[6]H)(NN)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(NN)(H)	105.9510	0.000	1	105.9510	0.000	1	105.9510	0.000	1	107.1349	4.025	22	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[3,6]CC)(O[6]C[6])(COO)(H)	O[6](C[6]C[3,6]CO)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](C[6]C[3,6]CC)(O[6]C[6])(COO)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[3,6]CO)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(OC)(O)	105.6690	0.000	1	105.6690	0.000	1	107.2004	4.370	20	107.1349	4.025	22	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)2	C(C[6]C[6]O[6]H)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(OC)(O)	107.9143	0.706	3	107.9143	0.498	3	107.2004	4.370	20	107.1349	4.025	22	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]O[6]H)(OC)(O)	106.9040	0.000	1	106.9040	0.000	1	107.2004	4.370	20	107.1349	4.025	22	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HI)	C(C[6]C[6]O[6]H)(OC)(O)	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[6](C[6]C[6]CH)(C[6]C[6]HI){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(O)	104.5300	0.000	2	104.5300	0.000	2	107.2004	4.370	20	107.1349	4.025	22	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	C(C[6]C[6]O[6]H)(OC)(O)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(O)	107.7045	0.316	2	107.7045	0.100	2	107.2004	4.370	20	107.1349	4.025	22	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(O)	105.8885	0.967	4	105.8885	0.936	4	107.2004	4.370	20	107.1349	4.025	22	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C(C[6]C[6]O[6]H)(OH)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(O)	107.9100	1.778	3	107.9100	3.161	3	107.2004	4.370	20	107.1349	4.025	22	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]SeH)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC)(O)	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[6](C[6]C[6]SeH)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(O)	107.3520	0.000	1	107.3520	0.000	1	107.2004	4.370	20	107.1349	4.025	22	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(COO)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(COO)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(OC)(O)	107.3250	0.485	2	107.3250	0.235	2	107.2004	4.370	20	107.1349	4.025	22	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]O[6]CH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C(C[6]C[6]O[6]H)(OC)(O)	C[6](C[6]O[6]CH)(O[6]C[6])(COO)(H){1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(O)	113.9370	0.000	1	113.9370	0.000	1	107.2004	4.370	20	107.1349	4.025	22	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[5,6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(O[6]C[6,6])(CC[6a]O)(H)	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]CH)	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(O[6]C[6,6])(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]CH){2|H<1>,3|C<3>,3|C<4>}	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(O)	103.1065	0.210	2	103.1065	0.044	2	103.1065	0.044	2	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)	C(C[6]C[6,6]O[6]H)(CC[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6]C[6,6]CC)(C[6]C[6,6]CH){2|H<1>,3|C<4>}	C(C[6]C[6,6]O[6]H)(CC[6a]H)(H)	110.0430	0.000	1	110.0430	0.000	1	110.0430	0.000	1	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	B[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H)	O[6](B[6]N[6,6]CC)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H){1|C<3>,1|N<3>,2|C<4>}	O[6](B[6]N[6,6]CC)(C[6]C[6]CH){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(H)	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCH)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	105.2620	0.000	1	105.2620	0.000	1	105.2620	0.000	1	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6]O[6]H)(CHH)(H)	105.6260	0.000	1	105.6260	0.000	1	106.5410	1.674	2	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,3|H<1>,3|O<2>}	C(C[6]C[6]O[6]H)(CHH)(H)	107.4560	0.000	1	107.4560	0.000	1	106.5410	1.674	2	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCH)(H){2|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	107.8830	0.000	1	107.8830	0.000	1	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CCC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){2|H<1>,3|C<4>}	O[6](C[6]C[6]CC)(C[6]C[6]CH){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CCC)(H)	113.8957	1.188	3	113.8957	1.412	3	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	106.7840	0.000	1	106.7840	0.000	1	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|H<1>,2|C<4>,2|S<4>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CHH)(H)	111.8240	0.000	1	111.8240	0.000	1	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	106.6245	0.672	2	106.6245	0.452	2	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)2	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	105.7443	0.553	3	105.7443	0.306	3	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)2	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CHH)(H)	107.1410	1.614	5	107.1410	2.603	5	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)2	C(C[6]C[6]O[6]H)(CHI)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(CHI)(H)	107.9485	1.916	2	107.9485	3.669	2	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)2	C(C[6]C[6]O[6]H)(CHO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CHO)(H)	105.6520	0.000	1	105.6520	0.000	1	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)2	C(C[6]C[6]O[6]H)(CHS)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CHS)(H)	107.0470	0.000	1	107.0470	0.000	1	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	108.9410	0.000	1	108.9410	0.000	1	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(CCH)(H)	107.6527	0.459	4	107.6527	0.210	4	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCH)(H)	107.2280	0.000	1	107.2280	0.000	1	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(CCH)(H)	107.6430	0.000	1	107.6430	0.000	1	108.0513	6.545	27	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6a]O)(H)	O[6](C[6]C[6]CH)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)	102.6170	0.000	1	102.6170	0.000	1	102.6170	0.000	1	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]CC)(O[6]C[6])(CNO)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C(C[6]C[6]O[6]H)(NCH)(O)	C[6](C[6]C[6]CC)(O[6]C[6])(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){3|C<4>}	C(C[6]C[6]O[6]H)(NCH)(O)	107.7035	0.831	2	107.7035	0.690	2	109.5787	11.643	9	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CNO)(H)	O[6](C[6]C[6]CH)2	C(C[6]C[6]O[6]H)(NHH)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(NHH)(O)	109.5143	0.805	3	109.5143	0.647	3	109.5787	11.643	9	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C(C[6]C[6]O[6]H)(NHH)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(NHH)(O)	107.3590	4.045	2	107.3590	16.359	2	109.5787	11.643	9	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CNO)(H)	O[6](C[6]C[6]CH)2	C(C[6]C[6]O[6]H)(NCH)(O)	C[6](C[6]N[6]HH)(O[6]C[6])(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6]CH)2{1|N<3>,4|H<1>}	C(C[6]C[6]O[6]H)(NCH)(O)	110.3960	0.000	1	110.3960	0.000	1	109.5787	11.643	9	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6]O[6]CH)(O[6]C[6])(CNO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C(C[6]C[6]O[6]H)(NCC)(O)	C[6](C[6]O[6]CH)(O[6]C[6])(CNO)(H){1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(NCC)(O)	117.1440	0.000	1	117.1440	0.000	1	109.5787	11.643	9	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:P[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	O[6](C[6]C[6]CH)(P[6]O[6]BO)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(P[6]O[6]BO){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(H)	112.1390	0.083	2	112.1390	0.007	2	108.9412	11.207	6	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:P[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	O[6](C[6]C[6]CH)(P[6]O[6]BO)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(P[6]O[6]BO){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CHH)(H)	105.6460	0.293	2	105.6460	0.086	2	108.9412	11.207	6	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:P[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	O[6](C[6]C[6]CH)(P[6]O[6]OO)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	O[6](C[6]C[6]CH)(P[6]O[6]OO){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(H)	111.6610	0.000	1	111.6610	0.000	1	108.9412	11.207	6	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:P[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	O[6](C[6]C[6]CH)(P[6]O[6]OO)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	O[6](C[6]C[6]CH)(P[6]O[6]OO){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CHH)(H)	106.4160	0.000	1	106.4160	0.000	1	108.9412	11.207	6	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:1:	P[6]-4:O[6]-2:C-3:H-1:	B[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H)	O[6](B[6]C[6a]2C[6])(C[6]P[6]CH)	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H){1|C<4>,2|H<1>,6|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]P[6]CH){1|C<4>,2|H<1>,6|C<3>}	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	111.9400	0.000	1	111.9400	0.000	1	111.9400	0.000	1	108.1634	9.192	51	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:3:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6]O[6]HH)(O[6]C[6,6])(CCC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CHH)(COO)	C[6](C[6]O[6]HH)(O[6]C[6,6])(CCC)(H){1|H<1>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<4>,3|O<2>,4|H<1>}	C(C[6]C[6]O[6]H)(CHH)(COO)	108.6643	1.519	3	108.6643	2.307	3	108.6643	2.307	3	108.6643	2.307	3	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:3:4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H)	O[6](C[6]C[6]CH)2	C(C[6]C[6]O[6]H)(CC[5]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{2|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(CC[5]H)(CH3)	106.9370	0.000	1	106.9370	0.000	1	106.9370	0.000	1	106.9370	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:4:1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[6]O[6]H)(CCHH)(O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(O)	110.5545	0.722	2	110.5545	0.521	2	110.5545	0.521	2	110.5545	0.521	2	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:4:3:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCC)(H)	O[6](C[6]C[5]C[6]O)(C[6]C[6,6]CH)	C(C[6]C[6,6]O[6]H)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6]C[5]C[6]O)(C[6]C[6,6]CH){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]O[6]H)(CH3)(CCH)	105.6890	0.000	1	105.6890	0.000	1	105.6890	0.000	1	108.5124	3.474	5	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:4:3:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCC)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CH3)(CHH)	107.6980	0.000	1	107.6980	0.000	1	109.2917	1.933	3	108.5124	3.474	5	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:4:3:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CH3)(CHH)	110.2550	0.000	1	110.0885	0.055	2	109.2917	1.933	3	108.5124	3.474	5	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:4:3:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CH3)(CHH)	109.9220	0.000	1	110.0885	0.055	2	109.2917	1.933	3	108.5124	3.474	5	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:1:	4:4:	4:4:3:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[6]O[6]H)(CHHO)(CCH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H){1|C<3>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CHHO)(CCH)	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.5124	3.474	5	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:2:	4:4:	3:4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[5,6]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)	C(C[6]C[6,6]C[6])(C[6]C[6]O[6]O)(H)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH){1|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(C[6]C[6]O[6]O)(H)	112.0430	0.164	2	112.0430	0.027	2	112.0430	0.027	2	112.0430	0.027	2	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	O[6](C[6]C[6]CH)(C[6]C[6]CN)	C(C[6]C[6]O[6]N)(OC)(O)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|N<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]CN){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]O[6]N)(OC)(O)	109.0290	0.000	1	110.0743	1.348	3	110.0743	1.348	3	107.6850	5.897	11	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	O[6](C[6]C[6]CH)(C[6]C[6]CN)	C(C[6]C[6]O[6]N)(OC)(O)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]CN){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]O[6]N)(OC)(O)	111.3240	0.000	1	110.0743	1.348	3	110.0743	1.348	3	107.6850	5.897	11	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	O[6](C[6]C[6]CH)(C[6]C[6]CN)	C(C[6]C[6]O[6]N)(OC)(O)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]CN){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]N)(OC)(O)	109.8700	0.000	1	110.0743	1.348	3	110.0743	1.348	3	107.6850	5.897	11	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[5,6]-4:C[6]-4:	C[6]-4:S-2:O-1:	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(SC)(O)	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC){1|C<4>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CO){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(SC)(O)	108.0345	0.274	2	108.0345	0.075	2	108.0345	0.075	2	107.6850	5.897	11	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(OC)(O)	104.9380	0.000	1	104.9380	0.000	1	104.4300	0.516	2	107.6850	5.897	11	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6,6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(OC)(O)	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>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(OC)(O)	103.9220	0.000	1	103.9220	0.000	1	104.4300	0.516	2	107.6850	5.897	11	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]HH)(O[6]C[6])(COO)(OC)	O[6](C[6]C[5,6]CH)(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[5,6]HH)(O[6]C[6])(COO)(OC){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]CO){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(OC)(O)	104.1050	0.000	1	104.1050	0.000	1	106.9270	15.927	2	107.6850	5.897	11	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OC)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OC){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]O[6]O)(OC)(O)	109.7490	0.000	1	109.7490	0.000	1	106.9270	15.927	2	107.6850	5.897	11	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C[6]-4:	C[6]-4:S-2:O-1:	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)	C(C[6]C[6]O[6]O)(SC)(O)	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]O)(SC)(O)	107.7645	0.180	2	107.7645	0.033	2	107.7645	0.033	2	107.6850	5.897	11	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:3:	3:4:	4:2:1:	C[6]-4:O[6]-2:C-3:C-3:	N[6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]HH)(O[6]N[6])(COO)2	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[5,6]HH)(O[6]N[6])(COO)2{1|C<3>,1|H<1>,2|C<4>}	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]C)(OC)(O)	108.1243	2.322	4	108.1243	5.391	4	108.1243	5.391	4	108.1243	5.391	4	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:3:3:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:C-3:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)2	O[6](C[6]C[6]CC)2	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)2{1|C<3>,3|C<4>}	O[6](C[6]C[6]CC)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(OC)(O)	107.7340	1.059	2	107.7340	1.122	2	107.7340	1.122	2	107.7340	1.122	2	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:2:	4:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:O[6]-2:	C[6]-4:H-1:O-1:	C[6](C[6]C[6]HH)(O[6]O[6])(CCCH)(CHO)	O[6](C[6]C[6]CC)(O[6]C[6])	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]C[6]HH)(O[6]O[6])(CCCH)(CHO){1|C<4>,2|H<1>}	O[6](C[6]C[6]CC)(O[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)(O)	107.2710	0.000	1	107.2710	0.000	1	107.2710	0.000	1	107.2710	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:2:	4:2:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:O[6]-2:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(COO)	O[6](C[6]C[6]CC)(O[6]C[6])	C(C[6]C[6]O[6]C)(OC)(O)	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(COO){1|C<4>,2|H<1>}	O[6](C[6]C[6]CC)(O[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(OC)(O)	104.9570	0.000	1	104.9570	0.000	1	104.9570	0.000	1	104.9570	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:2:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:O[6]-2:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH)	O[6](C[6]C[6]CC)(O[6]C[3x6])	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH){1|C<4>}	O[6](C[6]C[6]CC)(O[6]C[3x6]){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCH)(H)	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:4:	4:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6]-4:H-1:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(CHO)	O[6](C[6]C[6,6]HO)(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(CHO){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6,6]HO)(C[6]C[6]CC){1|C<4>,2|H<1>,2|S<2>}	C(C[6]C[6]O[6]C)(H)(O)	107.8920	0.000	1	107.8920	0.000	1	105.4950	4.378	3	106.6420	8.181	4	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:4:	4:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6]-4:H-1:O-1:	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO)	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO){1|O<2>,2|C<4>}	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]C)(H)(O)	104.2965	0.370	2	104.2965	0.137	2	105.4950	4.378	3	106.6420	8.181	4	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:4:	4:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(COO)	O[6](C[6]C[6]CC)2	C(C[6]C[6]O[6]C)(O)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(COO){2|H<1>,3|C<4>}	O[6](C[6]C[6]CC)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(O)2	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	106.6420	8.181	4	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6]-4:N-2:H-1:	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN)	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C(C[6]C[6]O[6]C)(NN)(H)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN){1|O<2>,2|C<4>}	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]C)(NN)(H)	102.1075	1.456	2	102.1075	2.120	2	102.1075	2.120	2	105.3873	33.332	3	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(COO)	O[6](C[6]C[6]CC)2	C(C[6]C[6]O[6]C)(OH)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(COO){2|H<1>,3|C<4>}	O[6](C[6]C[6]CC)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(OH)(O)	111.9470	0.000	1	111.9470	0.000	1	111.9470	0.000	1	105.3873	33.332	3	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH)	O[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	C(C[6]C[6]O[6]C)(CHH)(H)	106.7480	0.000	1	106.7480	0.000	1	108.8520	3.905	7	108.5529	4.063	8	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	C(C[6]C[6]O[6]C)(CHH)(H)	109.8020	0.000	1	109.2027	3.653	6	108.8520	3.905	7	108.5529	4.063	8	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|O<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]O[6]C)(CHH)(H)	108.5050	0.000	1	109.2027	3.653	6	108.8520	3.905	7	108.5529	4.063	8	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	C(C[6]C[6]O[6]C)(CHH)(H)	109.2272	2.410	4	109.2027	3.653	6	108.8520	3.905	7	108.5529	4.063	8	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:2:4:3:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH)	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH){2|C<4>,3|H<1>}	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCH)(H)	106.4590	0.000	1	106.4590	0.000	1	106.4590	0.000	1	108.5529	4.063	8	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:3:2:3:	4:4:	4:2:1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(COO)	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)	C(C[6]C[6a]C[6]O[6])(OC)(O)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(COO){4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(OC)(O)	109.3400	0.000	1	109.3400	0.000	1	107.7836	1.260	5	107.7836	1.260	5	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:3:2:3:	4:4:	4:2:1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C(C[6]C[6a]C[6]O[6])(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(OC)(O)	106.6850	0.000	2	107.3945	0.671	4	107.7836	1.260	5	107.7836	1.260	5	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:3:2:3:	4:4:	4:2:1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C(C[6]C[6a]C[6]O[6])(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]O[6])(OC)(O)	108.1040	0.000	2	107.3945	0.671	4	107.7836	1.260	5	107.7836	1.260	5	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:3:2:3:	4:4:	4:3:1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	110.3590	0.000	1	110.3590	0.000	1	110.3590	0.000	1	110.3590	0.000	1	108.0709	7.467	158	107.9436	7.237	171
466	622	930	0:SP3_SP2_SP3	C[6]	O[6]	C	4:4:2:3:	4:4:	4:1:1:	C[6]-4:C-4:O[6]-2:C-3:	C[6]-4:C[6]-4:	C[6]-4:H-1:O-1:	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO)	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO){1|O<2>,2|C<4>}	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]C)(H)(O)	108.9145	0.886	2	108.9145	0.785	2	108.9145	0.785	2	108.9145	0.785	2	108.0709	7.467	158	107.9436	7.237	171
466	622	941	0:SP3_SP2_SP2	C[6,6]	O[6]	N	4:4:2:2:	3:4:	4:3:	C[6,6]-4:C[6]-4:O[6]-2:N-2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C-3:	C[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(O[6]C[6,6a])(NC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]N)	N(C[6,6]C[6,6]C[6]O[6])(CC[6a]H)	C[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(O[6]C[6,6a])(NC){1|N<4>,2|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]N){2|C<4>,3|H<1>,4|C<3>}	N(C[6,6]C[6,6]C[6]O[6])(CC[6a]H)	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	107.2593	3.138	3
466	622	941	0:SP3_SP2_SP2	C[6]	O[6]	N	2:3:4:2:	3:4:	4:3:	O[6]-2:C[6]-3:C-4:N-2:	C[6,6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)	N(C[6]C[6]O[6]C)(CC[6]O)	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6]C[6]O[6]C)(CC[6]O)	107.1250	0.000	1	107.1250	0.000	1	107.1250	0.000	1	107.1250	0.000	1	106.3420	1.226	2	107.2593	3.138	3
466	622	941	0:SP3_SP2_SP2	C[6]	O[6]	N	4:2:2:2:	3:4:	4:1:	C[6]-4:O[6]-2:N-2:O-2:	C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]NO)	N(C[6]C[6]O[6]O)(H)	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]NO){1|Cl<1>,1|C<2>,1|C<4>,3|C<3>}	N(C[6]C[6]O[6]O)(H)	105.5590	0.000	1	105.5590	0.000	1	105.5590	0.000	1	105.5590	0.000	1	106.3420	1.226	2	107.2593	3.138	3
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	3:2:2:1:	4:4:	4:4:	C[6]-3:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:S-4:	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H)	O[6](C[6]C[6]HN)(C[6]O[6]CH)	N(C[6]C[6]O[6]H)(SCOO)	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H){1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HN)(C[6]O[6]CH){1|C<3>,1|C<4>}	N(C[6]C[6]O[6]H)(SCOO)	114.0030	0.000	1	114.0030	0.000	1	114.0030	0.000	1	114.0030	0.000	1	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	3:2:4:2:	4:4:	4:4:	N[6]-3:O[6]-2:C-4:N-2:	C[6]-4:C[6]-4:	C[6]-4:C-4:	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]CN)	N(C[6]N[6]O[6]C)(CCHH)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC){1|C<4>,3|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]CN){1|S<4>,4|C<3>}	N(C[6]N[6]O[6]C)(CCHH)	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:2:1:	4:4:	4:2:	C[6]-4:O[6]-2:N-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:N-2:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HN){1|H<1>,1|O<2>,4|C<4>}	N(C[6]C[6]O[6]H)(NN)	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	108.4887	4.619	11	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:2:1:	4:4:	4:2:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(CO)	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	108.4887	4.619	11	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:2:1:	4:4:	4:2:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N(C[6]C[6]O[6]H)(NN)	113.7040	0.000	1	113.7040	0.000	1	108.3096	4.576	9	108.4887	4.619	11	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:2:1:	4:4:	4:2:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(NN)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(NN)	106.7110	0.059	2	107.6794	0.627	7	108.3096	4.576	9	108.4887	4.619	11	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:2:1:	4:4:	4:2:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(NN)	108.0668	0.531	5	107.6794	0.627	7	108.3096	4.576	9	108.4887	4.619	11	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:2:1:	4:4:	4:2:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:N-2:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(NN)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(NN)	107.3260	0.000	1	107.3260	0.000	1	108.3096	4.576	9	108.4887	4.619	11	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:N-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CC[6a]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,3|O<2>,4|H<1>}	N(C[6]C[6]O[6]H)(CC[6a]H)	104.6740	0.000	1	104.6740	0.000	1	104.6740	0.000	1	108.2698	9.809	8	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(COO)	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,4|H<1>}	N(C[6]C[6]O[6]H)(COO)	107.5310	0.000	1	107.5310	0.000	1	109.3987	7.597	6	108.2698	9.809	8	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CCN)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(CCN)	111.3020	0.000	1	111.3020	0.000	1	109.3987	7.597	6	108.2698	9.809	8	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(CCO)	109.3320	0.000	1	109.3320	0.000	1	109.3987	7.597	6	108.2698	9.809	8	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CC[6a]H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(CC[6a]H)	109.4090	3.929	3	109.4090	15.436	3	109.3987	7.597	6	108.2698	9.809	8	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:2:1:	4:4:	4:3:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[5]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(C[5]N[5]S[5])	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(C[5]N[5]S[5])	105.0920	0.000	1	105.0920	0.000	1	105.0920	0.000	1	108.2698	9.809	8	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:2:	4:4:	4:2:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:C[6]-4:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	O[6](C[6]C[6]CH)(C[6]C[6]CN)	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|N<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]CN){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N(C[6]C[6]O[6]C)(NN)	107.7550	0.000	1	107.8853	0.360	3	107.8853	0.360	3	107.8853	0.360	3	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:2:	4:4:	4:2:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:C[6]-4:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	O[6](C[6]C[6]CH)(C[6]C[6]CN)	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]CN){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N(C[6]C[6]O[6]C)(NN)	108.5400	0.000	1	107.8853	0.360	3	107.8853	0.360	3	107.8853	0.360	3	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:2:	4:4:	4:2:	C[6]-4:O[6]-2:C-3:N-2:	C[6]-4:C[6]-4:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN)	O[6](C[6]C[6]CH)(C[6]C[6]CN)	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(O[6]C[6])(COO)(NN){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]CN){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N(C[6]C[6]O[6]C)(NN)	107.3610	0.000	1	107.8853	0.360	3	107.8853	0.360	3	107.8853	0.360	3	108.6776	6.606	25	108.6776	6.606	25
466	622	941	0:SP3_SP2_SP3	C[6]	O[6]	N	4:4:2:2:	4:4:	4:2:	C[6]-4:C-4:O[6]-2:N-2:	C[6]-4:C[6]-4:	C[6]-4:N-2:	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN)	O[6](C[6]C[6]CN)(C[6]C[6]HH)	N(C[6]C[6]O[6]C)(NN)	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN){1|C<4>,4|H<1>}	O[6](C[6]C[6]CN)(C[6]C[6]HH){1|C<4>,1|N<2>,3|H<1>}	N(C[6]C[6]O[6]C)(NN)	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	108.6776	6.606	25	108.6776	6.606	25
466	622	944	0:SP3_SP-NON_SP3	C[6]	O[6]	I	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:I-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)(I)	O[6](C[6]C[6]CH)(C[6]C[6]HI)	I(C[6]C[6]O[6]H)	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[6](C[6]C[6]CH)(C[6]C[6]HI){1|C<4>,2|H<1>,2|O<2>}	I(C[6]C[6]O[6]H)	111.4410	0.000	2	111.4410	0.000	2	111.4410	0.000	2	111.4410	0.000	2	111.4410	0.000	2	111.4410	0.000	2
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	3:3:2:1:	4:3:	4:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]O)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O){1|O<1>,2|C<3>,2|C<4>}	H(C[3x6]C[6,6]2O[6,6])	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	3:4:2:1:	4:3:	4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]O)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]O){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	110.7627	0.140	12	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	3:4:2:1:	4:3:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	111.0100	0.471	5	111.0100	0.222	5	110.7776	0.151	11	110.7627	0.140	12	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	3:4:2:1:	4:3:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O){1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	110.3500	0.000	1	110.3500	0.000	1	110.7776	0.151	11	110.7627	0.140	12	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	3:4:2:1:	4:3:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	110.6358	0.140	4	110.6308	0.015	5	110.7776	0.151	11	110.7627	0.140	12	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	3:4:2:1:	4:3:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	110.6110	0.000	1	110.6308	0.015	5	110.7776	0.151	11	110.7627	0.140	12	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:3:2:1:	4:3:	4:	C[3x6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.7090	0.000	1	110.7090	0.000	1	110.7090	0.000	1	110.3097	4.790	27	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:3:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]Br)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	111.3790	0.000	1	111.3790	0.000	1	110.8925	0.052	8	110.3097	4.790	27	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:3:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.7370	0.000	1	110.7984	0.019	5	110.8925	0.052	8	110.3097	4.790	27	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:3:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.8340	0.000	1	110.7984	0.019	5	110.8925	0.052	8	110.3097	4.790	27	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:3:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	111.0180	0.000	1	110.7984	0.019	5	110.8925	0.052	8	110.3097	4.790	27	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:3:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,3|H<1>,4|C<4>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.7015	0.053	2	110.7984	0.019	5	110.8925	0.052	8	110.3097	4.790	27	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:3:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.8845	0.097	2	110.8845	0.009	2	110.8925	0.052	8	110.3097	4.790	27	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.3915	0.084	2	110.3915	0.007	2	110.0285	7.052	18	110.3097	4.790	27	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.8420	0.345	4	110.8420	0.119	4	110.0285	7.052	18	110.3097	4.790	27	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.8560	0.000	1	109.6968	10.481	12	110.0285	7.052	18	110.3097	4.790	27	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.5914	3.374	11	109.6968	10.481	12	110.0285	7.052	18	110.3097	4.790	27	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	3:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-3:C[3x6]-4:	C[3x6]-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)	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.4440	0.000	1	109.3690	0.011	2	109.3690	0.011	2	109.3690	0.011	2	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	3:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[5,6,6]-3:C[3x6]-4:	C[3x6]-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)	O[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.2940	0.000	1	109.3690	0.011	2	109.3690	0.011	2	109.3690	0.011	2	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[5,3x6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]O)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[5,3x6]HH)(O[6,6]C[6,6])(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]O){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.6780	0.000	1	109.6780	0.000	1	109.6780	0.000	1	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.8370	0.000	1	109.7742	0.044	12	109.7281	0.173	21	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){3|H<1>,4|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.6290	0.264	3	109.7742	0.044	12	109.7281	0.173	21	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){3|H<1>,4|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.8363	0.146	3	109.7742	0.044	12	109.7281	0.173	21	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,4|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){3|H<1>,4|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.4710	0.000	1	109.7742	0.044	12	109.7281	0.173	21	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.8965	0.154	4	109.7742	0.044	12	109.7281	0.173	21	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-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)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	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[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.7950	0.000	1	109.9742	0.017	4	109.7281	0.173	21	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-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)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	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[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.0340	0.067	3	109.9742	0.017	4	109.7281	0.173	21	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,3x6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.6480	0.000	1	109.6480	0.000	1	109.7281	0.173	21	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]O){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.7985	0.016	2	109.7985	0.000	2	109.7281	0.173	21	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){3|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.7530	0.000	1	109.7530	0.000	1	109.7281	0.173	21	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O){1|N<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	108.1050	0.000	1	108.1050	0.000	1	109.7281	0.173	21	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.1640	0.000	1	109.0105	0.047	2	109.4978	0.198	6	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,2|O<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]2O[6,6])	108.8570	0.000	1	109.0105	0.047	2	109.4978	0.198	6	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|H<1>,3|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O){1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.6410	0.153	2	109.6410	0.023	2	109.4978	0.198	6	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.5520	0.000	1	109.5520	0.000	1	109.4978	0.198	6	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6,6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HS)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|C<4>,1|S<2>,2|O<2>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.1320	0.000	1	110.1320	0.000	1	109.4978	0.198	6	109.6770	0.174	28	110.1233	2.102	70	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6]	H	3:4:2:1:	4:3:	4:	C[3x6]-3:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H)	O[6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]C[6])	H(C[3x6]C[3x6]C[6,6]O[6])	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H){1|C<3>,3|C<4>,3|H<1>}	O[6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]C[6]){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6])	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	108.6561	0.401	14	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6]	H	4:3:2:1:	3:4:	4:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[4x6]N[6,6]H)	H(C[3x6]C[4x6]N[6,6]O[6])	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){1|H<1>,2|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[4x6]N[6,6]H){1|H<1>,3|C<4>,4|C<3>}	H(C[3x6]C[4x6]N[6,6]O[6])	108.6980	0.000	1	108.4860	0.090	2	108.4860	0.090	2	108.4860	0.090	2	108.6561	0.401	14	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6]	H	4:3:2:1:	3:4:	4:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[4x6]N[6,6]H)	H(C[3x6]C[4x6]N[6,6]O[6])	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){3|C<4>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[4x6]N[6,6]H){1|H<1>,3|C<4>,4|C<3>}	H(C[3x6]C[4x6]N[6,6]O[6])	108.2740	0.000	1	108.4860	0.090	2	108.4860	0.090	2	108.4860	0.090	2	108.6561	0.401	14	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6]	H	4:4:2:1:	3:4:	4:	C[3x6]-4:C[3x6]-4:O[6]-2:H-1:	C[6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)	H(C[3x6]C[3x6]2O[6])	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[3x6]2O[6])	107.6245	0.327	2	107.6245	0.107	2	107.6245	0.107	2	107.6245	0.107	2	108.6561	0.401	14	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]O)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]O){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.2400	0.213	4	109.2400	0.045	4	109.2400	0.045	4	108.9777	0.207	9	108.6561	0.401	14	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-3:	C[3x6]-4:	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[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4]C[6])	H(C[3x6]C[3x6]C[6,6]O[6])	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[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4]C[6]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6])	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	108.9777	0.207	9	108.6561	0.401	14	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6]	H	4:4:2:1:	4:3:	4:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H)	O[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[3x6]C[4x6]C[6,6]O[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[4x6]C[6,6]O[6])	109.0040	0.000	1	109.0485	0.004	2	109.0485	0.004	2	108.9777	0.207	9	108.6561	0.401	14	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6]	H	4:4:2:1:	4:3:	4:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6a]-3:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H)	O[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[3x6]C[4x6]C[6,6]O[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(O[6]C[6,6a])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[4x6]C[6,6]O[6])	109.0930	0.000	1	109.0485	0.004	2	109.0485	0.004	2	108.9777	0.207	9	108.6561	0.401	14	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6]	H	4:4:2:1:	4:3:	4:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H)	O[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)	H(C[3x6]C[4x6]C[6,6]O[6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	O[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O){1|I<1>,3|C<4>,4|H<1>}	H(C[3x6]C[4x6]C[6,6]O[6])	108.6920	0.000	1	108.6920	0.000	1	108.6920	0.000	1	108.9777	0.207	9	108.6561	0.401	14	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[3x6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-3:	C[3x6]-4:	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[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6,6a]O)	H(C[3x6]C[5,3x6]C[6,6]O[6])	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[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6,6a]O){2|C<4>,2|O<2>,3|C<3>}	H(C[3x6]C[5,3x6]C[6,6]O[6])	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	108.9777	0.207	9	108.6561	0.401	14	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6,6]	H	3:2:4:1:	4:3:	4:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]O[6,6]C[6])	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:2:1:	3:4:	4:	C[6,6]-3:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]O[6]2)	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:2:1:	4:2:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	H(C[6,6]C[6,6a]O[6,6]O[6])	108.1380	0.000	1	107.9553	0.061	3	107.9553	0.061	3	107.9553	0.061	3	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:2:1:	4:2:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	H(C[6,6]C[6,6a]O[6,6]O[6])	107.6750	0.000	1	107.9553	0.061	3	107.9553	0.061	3	107.9553	0.061	3	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:2:1:	4:2:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	H(C[6,6]C[6,6a]O[6,6]O[6])	108.0530	0.000	1	107.9553	0.061	3	107.9553	0.061	3	107.9553	0.061	3	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:2:1:	4:3:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]O[6])	107.3665	0.008	2	107.4597	0.026	3	107.4597	0.026	3	107.4597	0.026	3	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:2:1:	4:3:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]O[6])	107.6460	0.000	1	107.4597	0.026	3	107.4597	0.026	3	107.4597	0.026	3	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6,6]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.1920	0.000	2	108.1920	0.000	2	108.1920	0.000	2	108.1920	0.000	2	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5a,6]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.1170	0.000	1	107.1170	0.000	1	106.9716	12.777	9	107.4737	8.380	14	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	106.6270	0.000	1	106.6270	0.000	1	106.9716	12.777	9	107.4737	8.380	14	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6830	0.000	1	108.6830	0.000	1	106.9716	12.777	9	107.4737	8.380	14	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	97.7044	0.000	1	106.4589	24.181	5	106.9716	12.777	9	107.4737	8.380	14	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.7760	0.000	1	106.4589	24.181	5	106.9716	12.777	9	107.4737	8.380	14	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.2190	0.000	1	106.4589	24.181	5	106.9716	12.777	9	107.4737	8.380	14	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.2150	0.000	1	106.4589	24.181	5	106.9716	12.777	9	107.4737	8.380	14	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.3800	0.000	1	106.4589	24.181	5	106.9716	12.777	9	107.4737	8.380	14	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]OO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|H<1>,2|O<2>,5|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.0230	0.000	1	108.0230	0.000	1	106.9716	12.777	9	107.4737	8.380	14	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	3:4:	4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.3180	0.444	2	108.2930	0.078	4	108.3776	0.094	5	107.4737	8.380	14	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	3:4:	4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.2680	0.182	2	108.2930	0.078	4	108.3776	0.094	5	107.4737	8.380	14	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	3:4:	4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.7160	0.000	1	108.7160	0.000	1	108.3776	0.094	5	107.4737	8.380	14	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:2:4:1:	4:3:	4:	C[5a,6,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6]C[5a,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[5a,6,6]C[6]O[6])	C[6,6](C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6]C[5a,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[5a,6,6]C[6]O[6])	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:3:2:1:	3:4:	4:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H){2|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	105.9590	0.000	1	105.9590	0.000	1	105.9590	0.000	1	105.9590	0.000	1	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|O<2>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.3875	0.057	2	108.3875	0.003	2	108.5451	0.036	9	108.5451	0.036	9	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,4|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.7920	0.083	2	108.7920	0.007	2	108.5451	0.036	9	108.5451	0.036	9	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.6565	0.134	2	108.6565	0.018	2	108.5451	0.036	9	108.5451	0.036	9	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.4480	0.021	2	108.4480	0.000	2	108.5451	0.036	9	108.5451	0.036	9	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,5|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.3380	0.000	1	108.3380	0.000	1	108.5451	0.036	9	108.5451	0.036	9	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	3:4:	4:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2O[6])	108.5060	0.085	2	108.5060	0.007	2	108.5060	0.007	2	108.3106	0.104	5	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	3:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H){1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	108.3106	0.104	5	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	3:4:	4:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	C[5,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H){1|C<4>,3|H<1>,7|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H){1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	107.8070	0.000	1	107.8070	0.000	1	107.8070	0.000	1	108.3106	0.104	5	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	3:4:	4:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]N[6]O[6])	108.5550	0.000	1	108.5550	0.000	1	108.5550	0.000	1	108.3106	0.104	5	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6,6a]C[6,6,6a]C[6a])	H(C[6,6]C[6,6,6a]C[6,6]O[6])	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H){1|O<2>,4|C<3>,5|C<4>}	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6,6a]C[6,6,6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6,6a]C[6,6]O[6])	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6,6a]O)	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6,6a]C[6]O[6])	108.1015	0.445	2	108.1015	0.198	2	108.1015	0.198	2	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6,6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,5|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|N<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	105.1100	0.000	1	105.1100	0.000	1	106.8020	5.726	2	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.4940	0.000	1	108.4940	0.000	1	106.8020	5.726	2	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1243	0.083	3	108.1243	0.007	3	108.5388	0.752	13	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1620	0.000	1	108.1620	0.000	1	108.5388	0.752	13	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.9820	0.000	1	107.9820	0.000	1	108.5388	0.752	13	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<2>,3|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.8715	0.392	2	108.8715	0.154	2	108.5388	0.752	13	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.2384	0.564	5	108.7908	1.456	6	108.5388	0.752	13	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	106.5530	0.000	1	108.7908	1.456	6	108.5388	0.752	13	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]O)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	N[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6]N[5,6]O[6])	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<1>,3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[5,6]O[6])	109.3550	0.335	2	109.3550	0.112	2	109.3550	0.112	2	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	N[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2S[6])(O[6]C[6,6a])(H)	O[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[6,6]N[6,6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2S[6])(O[6]C[6,6a])(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6]N[6,6]O[6])	108.0215	0.009	2	108.0215	0.000	2	108.0215	0.000	2	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]O)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.3648	1.033	24	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[5a,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(H){1|H<1>,1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O[6]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6,6]C[6,6]O[6]2)	108.1400	0.000	1	108.1400	0.000	1	108.1400	0.000	1	108.6439	0.734	13	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[5a,6])(O[6]C[6,6a])(H){1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]O[6]2)	108.1360	0.000	1	108.1360	0.000	1	108.6859	0.776	12	108.6439	0.734	13	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]O[6]2)	107.9080	0.000	1	107.9080	0.000	1	108.6859	0.776	12	108.6439	0.734	13	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]O[6]2)	107.6737	0.050	3	107.6737	0.002	3	108.6859	0.776	12	108.6439	0.734	13	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]O[6]2)	110.1770	0.000	1	109.3254	0.453	5	108.6859	0.776	12	108.6439	0.734	13	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]O[6]2)	109.0385	0.797	2	109.3254	0.453	5	108.6859	0.776	12	108.6439	0.734	13	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]O[6]2)	109.1865	0.500	2	109.3254	0.453	5	108.6859	0.776	12	108.6439	0.734	13	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)	H(C[6,6]C[6,6]O[6]2)	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[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]O[6]2)	109.2695	0.076	2	109.2695	0.006	2	108.6859	0.776	12	108.6439	0.734	13	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]H)	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]H){1|O<2>,4|C<4>}	H(C[6,6]C[3x6]O[6]2)	107.8330	0.000	1	107.8330	0.000	1	107.5474	0.129	8	107.8328	0.769	16	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]O[6]2)	107.3120	0.045	2	107.5066	0.134	7	107.5474	0.129	8	107.8328	0.769	16	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]O[6]2)	108.2050	0.000	1	107.5066	0.134	7	107.5474	0.129	8	107.8328	0.769	16	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]O[6]2)	107.4292	0.269	4	107.5066	0.134	7	107.5474	0.129	8	107.8328	0.769	16	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[4x6]-4:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(O[6]C[6])(H)	O[6](C[6,6]C[4x6]O[6,6]H)(C[6]C[6,6]H)	H(C[6,6]C[4x6]O[6,6]O[6])	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(O[6]C[6])(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	O[6](C[6,6]C[4x6]O[6,6]H)(C[6]C[6,6]H){2|C<3>,3|C<4>}	H(C[6,6]C[4x6]O[6,6]O[6])	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	107.8328	0.769	16	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[5,6,6]O[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	O[6](C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]O[6]2)	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	107.8328	0.769	16	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6])	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]C[6]){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]O[6]2)	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	107.8328	0.769	16	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(O[6]C[6])2(H){1|C<3>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C){1|H<1>,4|C<4>}	H(C[6,6]C[6,6]O[6]2)	105.6830	0.000	1	105.6830	0.000	1	108.1382	2.261	5	107.8328	0.769	16	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6]O[6]2)	107.8120	0.000	1	107.8120	0.000	1	108.1382	2.261	5	107.8328	0.769	16	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){3|H<1>,5|C<3>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]O[6]2)	109.1685	0.517	2	109.1685	0.267	2	108.1382	2.261	5	107.8328	0.769	16	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]N[6])	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]N[6]){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]O[6]2)	108.8590	0.000	1	108.8590	0.000	1	108.1382	2.261	5	107.8328	0.769	16	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.7500	0.000	1	108.7500	0.000	1	107.1515	5.110	2	107.9890	1.758	6	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	105.5530	0.000	1	105.5530	0.000	1	107.1515	5.110	2	107.9890	1.758	6	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[5,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H)	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]N[6]H){1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6]N[6]O[6])	107.8105	0.152	2	107.8105	0.023	2	107.8105	0.023	2	107.9890	1.758	6	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]S)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]S)(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	108.7560	0.000	1	108.7560	0.000	1	109.0050	0.124	2	107.9890	1.758	6	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(N[6]C[6]S)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(N[6]C[6]S)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	109.2540	0.000	1	109.2540	0.000	1	109.0050	0.124	2	107.9890	1.758	6	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6]){1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6]O[6])	108.6760	0.000	1	108.5360	0.039	2	108.5360	0.039	2	108.5360	0.039	2	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6]){1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]N[6]O[6])	108.3960	0.000	1	108.5360	0.039	2	108.5360	0.039	2	108.5360	0.039	2	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(O[6]C[5a,6])(C[6]C[6]HH)(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]C[6]H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(O[6]C[5a,6])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]C[6]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.6820	0.000	1	108.6820	0.000	1	108.5005	0.066	2	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[3x6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)	H(C[6,6]C[3x6]C[6]O[6])	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[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.3190	0.000	1	108.3190	0.000	1	108.5005	0.066	2	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2O)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	107.7660	0.000	1	107.7660	0.000	1	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|N<3>,4|C<3>}	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.3360	0.000	1	108.8648	0.399	4	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|O<1>,4|C<3>}	O[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.7077	0.671	3	108.8648	0.399	4	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|O<2>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2565	0.120	2	109.2565	0.014	2	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(O[6]C[6,6a])(C[6]O[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.5160	0.000	1	109.5160	0.000	1	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.9220	0.000	1	108.9220	0.000	1	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.5050	0.000	1	109.3895	0.027	2	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.2740	0.000	1	109.3895	0.027	2	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9640	0.000	1	108.9130	1.264	4	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1765	0.243	2	108.9130	1.264	4	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.3350	0.000	1	108.9130	1.264	4	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.0745	0.011	2	109.0745	0.000	2	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HN)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5590	0.000	1	109.5590	0.000	1	109.0175	0.452	18	108.9658	0.411	21	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:2:4:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]O[6])	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	109.7780	0.000	1	109.6785	0.020	2	109.7183	0.015	3	109.7183	0.015	3	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	109.5790	0.000	1	109.6785	0.020	2	109.7183	0.015	3	109.7183	0.015	3	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	109.7980	0.000	1	109.7980	0.000	1	109.7183	0.015	3	109.7183	0.015	3	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[5a,6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(H)	O[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[5a,6,6]C[5,6]O[6])	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,7|C<3>}	O[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,6|C<3>}	H(C[6,6]C[5a,6,6]C[5,6]O[6])	109.3530	0.000	1	109.3530	0.000	1	109.3530	0.000	1	108.7535	1.303	11	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]2H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2O[6])	105.6070	0.000	1	105.6070	0.000	1	107.4940	7.122	2	108.7535	1.303	11	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]C)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]2H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]2O[6])	109.3810	0.000	1	109.3810	0.000	1	107.4940	7.122	2	108.7535	1.303	11	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.2660	0.000	1	108.2660	0.000	1	108.5948	0.062	4	108.7535	1.303	11	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.7043	0.145	3	108.7043	0.021	3	108.5948	0.062	4	108.7535	1.303	11	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6,6a]O)	H(C[6,6]C[6,6]N[6,6]O[6])	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]N[6,6]O[6])	109.7290	0.048	2	109.7290	0.002	2	109.7290	0.002	2	108.7535	1.303	11	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]O)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]O){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]N[6]O[6])	109.0570	0.000	1	109.0570	0.000	1	109.0555	0.000	2	108.7535	1.303	11	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	109.0540	0.000	1	109.0540	0.000	1	109.0555	0.000	2	108.7535	1.303	11	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	3:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6,6a]HO)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.4010	0.000	1	108.4010	0.000	1	108.2957	0.293	8	108.7101	0.709	11	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	3:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HS)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.0736	0.407	5	108.0736	0.166	5	108.2957	0.293	8	108.7101	0.709	11	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	3:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]HH)(O[6]C[6,6a])(H){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.7985	0.790	2	108.7985	0.624	2	108.2957	0.293	8	108.7101	0.709	11	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6]C[5,6]C[5a]H)(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[5,6]C[5a]H)(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.8150	0.053	3	109.8150	0.003	3	109.8150	0.003	3	108.7101	0.709	11	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]N[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	95.7409	0.000	1	95.7409	0.000	1	101.4609	65.438	2	101.4609	65.438	2	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	107.1810	0.000	1	107.1810	0.000	1	101.4609	65.438	2	101.4609	65.438	2	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.2170	0.000	1	108.2170	0.000	1	108.1953	0.242	12	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)	H(C[6,6]C[3x6]C[6]O[6])	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[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.8440	0.000	1	108.8440	0.000	1	108.1953	0.242	12	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.4830	0.000	1	108.4830	0.000	1	108.1953	0.242	12	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	108.2950	0.000	1	108.2950	0.000	1	108.1953	0.242	12	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[3x6]C[6]O[6])	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[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	108.3275	0.388	2	108.2347	0.101	3	108.1953	0.242	12	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[3x6]C[6]O[6])	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[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,5|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	108.0490	0.000	1	108.2347	0.101	3	108.1953	0.242	12	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,6|C<4>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	107.5100	0.000	1	107.9602	0.417	5	108.1953	0.242	12	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	107.5115	0.028	2	107.9602	0.417	5	108.1953	0.242	12	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.6340	0.393	2	107.9602	0.417	5	108.1953	0.242	12	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[4,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H)	O[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[4,6,6]C[6]O[6])	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	O[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O){1|I<1>,3|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6]O[6])	109.1745	0.025	2	109.1745	0.001	2	109.1745	0.001	2	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	102.0249	8.070	2	104.9990	33.535	4	104.9990	33.535	4	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	107.7420	0.000	1	104.9990	33.535	4	104.9990	33.535	4	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	108.2040	0.000	1	104.9990	33.535	4	104.9990	33.535	4	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	108.8810	0.000	1	108.8810	0.000	1	108.2303	1.213	14	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<1>,4|C<4>,4|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O){3|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	105.4930	0.000	1	105.4930	0.000	1	108.2303	1.213	14	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	107.6040	0.593	2	107.6040	0.351	2	108.2303	1.213	14	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	108.6570	0.991	6	108.5642	0.622	10	108.2303	1.213	14	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	108.7715	0.244	2	108.5642	0.622	10	108.2303	1.213	14	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){2|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	108.0785	0.124	2	108.5642	0.622	10	108.2303	1.213	14	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[3x6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6]O)	H(C[6,6]C[3x6]C[5,6]O[6])	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<4>,3|O<2>,5|H<1>}	O[6](C[6,6]C[3x6]C[5,6]H)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[5,6]O[6])	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<3>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.5850	0.000	1	108.8337	0.036	4	108.8337	0.036	4	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,5|C<3>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.8555	0.050	2	108.8337	0.036	4	108.8337	0.036	4	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.0390	0.000	1	108.8337	0.036	4	108.8337	0.036	4	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,5,6]O[5]C)(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	107.8240	0.000	1	107.8240	0.000	1	107.7187	0.035	3	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|O<2>,2|O<1>,5|C<4>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	107.5030	0.000	1	107.5030	0.000	1	107.7187	0.035	3	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	107.8290	0.000	1	107.8290	0.000	1	107.7187	0.035	3	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[3x6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[3x6]C[6,6]2O)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]O)	H(C[6,6]C[3x6]C[6,6]O[6])	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[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]O[6])	107.4535	0.428	2	107.4535	0.183	2	107.4535	0.183	2	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]2O[6])	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:B[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]B[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(B[6]C[6a]O[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(B[6]C[6a]O[6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.0110	0.035	2	109.0110	0.001	2	109.0110	0.001	2	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.5930	0.382	2	109.5930	0.146	2	109.5930	0.146	2	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]O){1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.5190	0.000	1	107.5190	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6,6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.1320	0.000	1	108.1320	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.1930	0.000	1	107.1930	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9890	0.000	1	109.9890	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.5550	0.000	1	107.5550	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	104.3930	0.000	1	104.3930	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.0560	0.000	1	108.0560	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.7440	0.000	1	107.7440	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.1277	0.296	3	108.1277	0.087	3	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.4310	0.000	1	108.6655	0.110	2	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9000	0.000	1	108.6655	0.110	2	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.0238	1.362	6	108.0238	1.856	6	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.0350	0.000	1	106.0350	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.5350	0.000	1	108.5350	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	110.7185	1.067	2	110.7185	1.139	2	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<4>,1|O<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	105.5630	0.000	1	105.5630	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.6330	0.000	1	106.2600	0.278	2	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	105.8870	0.000	1	106.2600	0.278	2	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[5,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.0310	0.197	2	109.0310	0.039	2	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6560	0.000	1	108.6560	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.9565	1.291	4	108.9565	1.667	4	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|N<2>,2|C<4>,2|O<1>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.1520	0.000	1	108.1520	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	104.8340	0.000	1	105.1840	0.245	2	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	105.5340	0.000	1	105.1840	0.245	2	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.3350	0.000	1	107.6245	3.326	2	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9140	0.000	1	107.6245	3.326	2	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O){1|S<4>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.6600	0.000	1	107.6600	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.0560	0.000	1	107.0560	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8118	1.126	4	108.8118	1.267	4	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|N<4>,1|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9550	0.000	1	109.9550	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.5910	0.000	1	109.5910	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.4360	0.000	1	110.4360	0.000	1	108.1018	2.418	47	108.0806	3.026	94	108.2009	2.816	243	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)	H(C[6]O[6]2H)	C[6](O[6]C[6,6a])(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH){1|H<1>,3|C<3>}	H(C[6]O[6]2H)	109.2925	0.043	2	109.2925	0.002	2	109.2925	0.002	2	109.2933	0.001	4	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:1:1:	3:4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]O)(C[6]O[6]HH)	H(C[6]O[6]2H)	C[6](O[6]C[6,6a])(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]HH){2|C<3>}	H(C[6]O[6]2H)	109.2940	0.021	2	109.2940	0.000	2	109.2940	0.000	2	109.2933	0.001	4	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:3:1:	3:4:	4:	O[6]-2:N[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6])(CCO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6])(CCO)(H){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,3|C<3>}	H(C[6]N[6]O[6]C)	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	106.1600	10.626	2	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:3:1:	3:4:	4:	O[6]-2:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6]H)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H){2|C<4>,2|H<1>}	O[6](C[6]C[6,6]H)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]O[6]2C)	103.8550	0.000	1	103.8550	0.000	1	103.8550	0.000	1	106.1600	10.626	2	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:N[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|Br<1>,3|C<3>}	H(C[6]N[6]O[6]C)	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	H(C[6]O[6]2C)	109.1475	0.131	2	109.1475	0.017	2	109.6296	0.078	11	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH){4|C<3>}	H(C[6]O[6]2C)	109.6530	0.000	1	109.6530	0.000	1	109.6296	0.078	11	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	H(C[6]O[6]2C)	109.6680	0.341	2	109.6680	0.116	2	109.6296	0.078	11	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH){4|C<3>}	H(C[6]O[6]2C)	109.7327	0.020	3	109.7327	0.000	3	109.6296	0.078	11	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	H(C[6]O[6]2C)	109.9370	0.000	1	109.9370	0.000	1	109.6296	0.078	11	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	H(C[6]O[6]2C)	109.6510	0.000	1	109.7535	0.021	2	109.6296	0.078	11	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	H(C[6]O[6]2C)	109.8560	0.000	1	109.7535	0.021	2	109.6296	0.078	11	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	H(C[6]O[6]2C)	109.3087	0.267	3	109.3087	0.071	3	109.6235	0.074	11	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	H(C[6]O[6]2C)	109.6868	0.166	5	109.6868	0.027	5	109.6235	0.074	11	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	H(C[6]O[6]2C)	109.9270	0.000	1	109.9270	0.000	1	109.6235	0.074	11	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]N)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	O[6](C[6]C[6,6a]N)(C[6]O[6]CH){1|C<3>,1|N<2>}	H(C[6]O[6]2C)	109.6800	0.000	1	109.6800	0.000	1	109.6235	0.074	11	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	3:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	H(C[6]O[6]2C)	109.8920	0.000	1	109.8920	0.000	1	109.6235	0.074	11	109.6241	0.069	23	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:2:4:1:	4:3:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	O[6](C[6]O[6]CH)(C[6]C[6]H)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CC3)(H){1|C<3>,1|N<2>,2|H<1>}	O[6](C[6]O[6]CH)(C[6]C[6]H){2|C<4>}	H(C[6]O[6]2C)	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]N[6]O)(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	107.6940	0.013	2	107.6940	0.000	2	107.6940	0.000	2	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]O)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	108.3710	0.024	2	108.3710	0.001	2	108.3710	0.001	2	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|Cl<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	107.9427	0.657	3	108.9644	0.186	54	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.6310	0.024	2	108.9644	0.186	54	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.1205	0.005	2	108.9644	0.186	54	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	H(C[6]C[6]O[6]H)	108.6590	0.171	2	108.9644	0.186	54	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Cl<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.2588	0.074	6	108.9644	0.186	54	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.0818	0.218	24	108.9644	0.186	54	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,4|C<3>}	H(C[6]C[6]O[6]H)	108.7597	0.291	10	108.9644	0.186	54	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	108.8634	0.615	5	108.9644	0.186	54	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.6102	0.172	4	109.6353	0.019	6	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.6855	0.005	2	109.6353	0.019	6	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2{1|Se<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|I<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.1705	0.009	2	108.9390	0.072	4	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|I<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.7075	0.026	2	108.9390	0.072	4	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.0032	0.037	4	109.0032	0.001	4	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]P)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]P)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|P<4>,3|C<3>}	H(C[6]C[6]O[6]H)	109.4413	0.262	3	109.4413	0.069	3	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.1100	0.000	1	108.7080	0.479	23	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	108.4544	0.559	16	108.7080	0.479	23	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	108.6720	0.016	2	108.7080	0.479	23	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.6395	0.628	4	108.7080	0.479	23	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]C)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.4250	0.000	1	109.4250	0.000	1	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.0945	0.163	4	109.0945	0.027	4	108.9704	0.267	99	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6]O[6]H)	108.6053	1.157	39	108.6202	1.109	47	108.6202	1.109	47	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>}	H(C[6]N[6]O[6]H)	108.7380	0.106	4	108.6202	1.109	47	108.6202	1.109	47	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:1:1:	3:4:	4:	O[6]-2:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){2|C<3>,3|C<4>}	H(C[6]N[6]O[6]H)	108.6472	0.041	4	108.6202	1.109	47	108.6202	1.109	47	108.8357	0.565	150	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:2:1:	3:4:	4:	O[6]-2:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC)(H){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	108.3026	2.487	5	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:2:1:	3:4:	4:	O[6]-2:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|H<1>,4|C<3>}	H(C[6]C[6]O[6]O)	108.9600	0.000	1	108.0730	2.964	4	108.0730	2.964	4	108.3026	2.487	5	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:2:1:	3:4:	4:	O[6]-2:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|H<1>,4|C<3>}	H(C[6]C[6]O[6]O)	107.7773	1.980	3	108.0730	2.964	4	108.0730	2.964	4	108.3026	2.487	5	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:3:1:	3:4:	4:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CNO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CNO)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	108.9410	0.000	1	108.9410	0.000	1	108.3037	0.410	3	108.0225	0.590	4	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:3:1:	3:4:	4:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(COO)(H){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	107.6600	0.000	1	107.6600	0.000	1	108.3037	0.410	3	108.0225	0.590	4	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:3:1:	3:4:	4:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(H){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.3100	0.000	1	108.3100	0.000	1	108.3037	0.410	3	108.0225	0.590	4	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:3:1:	3:4:	4:	O[6]-2:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]N[6]O[6]C)	107.1790	0.000	1	107.1790	0.000	1	107.1790	0.000	1	108.0225	0.590	4	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:4:1:	3:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H)	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH){1|S<4>,4|C<3>}	H(C[6]C[6]O[6]C)	107.8450	0.000	1	107.8450	0.000	1	107.8450	0.000	1	107.6085	1.427	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:4:1:	3:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H)	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|S<2>,4|C<3>}	H(C[6]C[6]O[6]C)	107.8485	0.240	2	107.8485	0.057	2	107.8485	0.057	2	107.6085	1.427	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:4:1:	3:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	106.8480	0.000	1	106.8480	0.000	1	106.8870	1.340	5	107.6085	1.427	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:4:1:	3:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	107.4770	0.000	1	107.4770	0.000	1	106.8870	1.340	5	107.6085	1.427	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:4:1:	3:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H){1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]C)	105.8160	0.430	2	105.8160	0.185	2	106.8870	1.340	5	107.6085	1.427	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:4:1:	3:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H){1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]C)	108.4780	0.000	1	108.4780	0.000	1	106.8870	1.340	5	107.6085	1.427	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:4:1:	3:4:	4:	O[6]-2:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6]O[6]C)	107.3160	0.000	1	107.3160	0.000	1	108.5723	1.647	3	107.6085	1.427	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:4:1:	3:4:	4:	O[6]-2:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[6]O[6]C)	108.5200	0.000	1	108.5200	0.000	1	108.5723	1.647	3	107.6085	1.427	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:3:4:1:	3:4:	4:	O[6]-2:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|Br<1>,1|H<1>,3|C<3>}	H(C[6]N[6]O[6]C)	109.8810	0.000	1	109.8810	0.000	1	108.5723	1.647	3	107.6085	1.427	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(F)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)	H(C[6]C[6]O[6]F)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(F)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]F)	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	B[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,1|O<1>}	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[6]O[6]H)	109.6920	0.059	2	109.4668	0.069	4	109.4668	0.069	4	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	B[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,1|O<1>}	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH){1|H<1>,2|N<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.2415	0.013	2	109.4668	0.069	4	109.4668	0.069	4	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	105.5390	1.926	2	105.5390	3.710	2	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HN)(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	109.0730	0.011	2	109.0730	0.000	2	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9725	0.040	4	108.9725	0.002	4	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|B<3>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4795	0.011	2	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0745	1.197	29	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<2>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	107.3486	2.500	12	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9276	0.935	27	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|I<1>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9786	0.903	26	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2495	0.023	2	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|P<3>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	108.4660	0.761	4	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6]O[6]H)	108.6077	1.752	55	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	H(C[6]C[6]O[6]H)	107.3795	0.009	2	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5060	0.154	4	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2085	0.012	2	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.7321	1.378	86	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	107.3915	1.785	13	108.6698	2.205	264	108.6542	2.228	272	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.5433	0.082	3	109.3901	0.024	7	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Cl<1>,5|C<3>}	H(C[6]C[6]O[6]H)	109.3245	0.008	2	109.3901	0.024	7	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	109.2260	0.011	2	109.3901	0.024	7	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<2>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.1152	0.114	5	109.0192	0.874	33	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0370	0.000	1	109.0192	0.874	33	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9977	0.082	3	109.0192	0.874	33	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.5460	0.996	5	109.0192	0.874	33	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	111.3315	1.541	2	109.0192	0.874	33	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	109.7125	0.040	2	109.0192	0.874	33	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3240	0.000	1	109.0192	0.874	33	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.6938	0.948	9	109.0192	0.874	33	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.7284	0.147	5	109.0192	0.874	33	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(H)2{1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	108.8330	0.000	1	108.8330	0.000	1	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	108.4145	0.021	2	109.0817	0.268	6	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.4153	0.038	4	109.0817	0.268	6	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CS)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CS)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]O[6]H)	103.9527	6.612	2	103.9527	43.718	2	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	106.6410	0.192	2	108.2273	2.148	15	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2145	0.045	2	108.2273	2.148	15	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4040	0.028	3	108.2273	2.148	15	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.7978	0.271	6	108.2273	2.148	15	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	105.3495	0.080	2	108.2273	2.148	15	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.7765	0.025	2	108.7765	0.001	2	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	109.2710	0.016	2	109.2798	0.001	6	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3120	0.045	2	109.2798	0.001	6	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2565	0.026	2	109.2798	0.001	6	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.0705	0.042	2	109.0705	0.002	2	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]O[6]H)	109.1983	0.122	4	109.1983	0.015	4	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1580	0.021	2	109.0335	0.022	4	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.9090	0.048	2	109.0335	0.022	4	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	106.1505	2.849	4	106.1505	8.115	4	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2{1|S<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0215	0.037	2	109.1933	0.040	4	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3650	0.044	2	109.1933	0.040	4	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.6630	0.018	2	108.9909	2.276	14	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3785	0.027	4	108.9909	2.276	14	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.6291	1.965	8	108.9909	2.276	14	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5391	0.434	17	109.5357	0.188	23	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.5260	0.475	6	109.5357	0.188	23	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.5367	0.482	4	109.5367	0.232	4	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6330	0.028	2	109.3501	1.016	116	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5200	0.104	4	109.3501	1.016	116	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6430	0.030	2	109.3501	1.016	116	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4305	0.210	2	109.3501	1.016	116	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3175	1.077	101	109.3501	1.016	116	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.6108	0.073	5	109.3501	1.016	116	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:1:1:	3:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2{2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0505	0.102	8	109.0505	0.010	8	109.1139	1.545	255	108.8808	1.931	532	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:2:1:	3:4:	4:	O[6]-2:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	109.0360	0.392	2	109.0360	0.153	2	108.7510	0.320	3	107.5603	8.175	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:2:1:	3:4:	4:	O[6]-2:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN)(H){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.1810	0.000	1	108.1810	0.000	1	108.7510	0.320	3	107.5603	8.175	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:2:1:	3:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	109.1180	0.000	1	109.1180	0.000	1	109.7445	0.785	2	107.5603	8.175	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:2:1:	3:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]O)	110.3710	0.000	1	110.3710	0.000	1	109.7445	0.785	2	107.5603	8.175	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:2:1:	3:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	109.6063	0.089	3	109.6063	0.008	3	106.7613	10.307	12	107.5603	8.175	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:2:1:	3:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]O[6]O)	107.9525	0.063	2	107.9525	0.004	2	106.7613	10.307	12	107.5603	8.175	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:2:1:	3:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]O)	109.0475	0.084	2	109.0475	0.007	2	106.7613	10.307	12	107.5603	8.175	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:2:1:	3:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	101.9923	0.709	3	101.9923	0.503	3	106.7613	10.307	12	107.5603	8.175	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:2:1:	3:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	107.8780	0.000	1	107.8780	0.000	1	106.7613	10.307	12	107.5603	8.175	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:2:1:	3:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]O)	104.4610	0.000	1	104.4610	0.000	1	106.7613	10.307	12	107.5603	8.175	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:2:1:	3:4:	4:	O[6]-2:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(SC[6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(SC[6a])(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]S)	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	107.5603	8.175	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:3:1:	3:4:	4:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.7880	0.000	1	108.7880	0.000	1	107.7545	2.688	8	107.8277	1.964	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:3:1:	3:4:	4:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCO)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	104.3060	0.000	1	104.3060	0.000	1	107.7545	2.688	8	107.8277	1.964	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:3:1:	3:4:	4:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.7360	0.000	1	108.6960	2.163	2	107.7545	2.688	8	107.8277	1.964	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:3:1:	3:4:	4:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	107.6560	0.000	1	108.6960	2.163	2	107.7545	2.688	8	107.8277	1.964	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:3:1:	3:4:	4:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CCH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CCH)(H){1|S<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	107.9780	0.000	1	107.9780	0.000	1	107.7545	2.688	8	107.8277	1.964	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:3:1:	3:4:	4:	O[6]-2:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(COO)(H){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	107.8573	0.959	3	107.8573	0.919	3	107.7545	2.688	8	107.8277	1.964	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:3:1:	3:4:	4:	O[6]-2:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	H(C[6]C[5]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[5]C[6]O[6])	107.9570	0.000	1	107.9570	0.000	1	107.9570	0.000	1	107.8277	1.964	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:3:1:	3:4:	4:	O[6]-2:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]N)	106.5020	0.000	1	106.5020	0.000	1	108.0510	2.376	4	107.8277	1.964	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:3:1:	3:4:	4:	O[6]-2:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|H<1>,2|F<1>,3|C<3>}	H(C[6]C[6]O[6]N)	106.9660	0.000	1	106.9660	0.000	1	108.0510	2.376	4	107.8277	1.964	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:3:1:	3:4:	4:	O[6]-2:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]N)	109.1640	0.000	1	109.1640	0.000	1	108.0510	2.376	4	107.8277	1.964	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:3:1:	3:4:	4:	O[6]-2:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NHS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]N)	109.5720	0.000	1	109.5720	0.000	1	108.0510	2.376	4	107.8277	1.964	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:3:1:	3:4:	4:	O[6]-2:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5]H)	H(C[6]C[6]N[5]O[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[5]O[6])	107.6090	1.092	2	107.6090	1.192	2	107.6090	1.192	2	107.8277	1.964	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[3]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6]H)	H(C[6]C[3]C[6]O[6])	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H){2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6]H){1|H<1>,3|C<3>,5|C<4>}	H(C[6]C[3]C[6]O[6])	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H)	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H){1|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6]O[6]C)	108.7110	0.000	1	108.7110	0.000	1	108.3264	0.479	7	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.1730	0.000	1	108.1730	0.000	1	108.3264	0.479	7	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	107.2170	0.000	1	107.2170	0.000	1	108.3264	0.479	7	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H)	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H){2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	H(C[6]C[6]O[6]C)	108.1100	0.704	2	108.1100	0.496	2	108.3264	0.479	7	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H)	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H){2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6]O[6]C)	109.0840	0.000	1	109.0840	0.000	1	108.3264	0.479	7	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H)	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H){2|C<3>}	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6]O[6]C)	108.8800	0.000	1	108.8800	0.000	1	108.3264	0.479	7	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	105.4700	0.000	1	105.4700	0.000	1	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]O[6]C)	108.7110	0.000	1	108.7110	0.000	1	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]O[6]C)	109.4315	0.547	2	109.4315	0.299	2	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	109.1250	0.235	2	109.4180	0.188	4	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|S<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	109.7110	0.406	2	109.4180	0.188	4	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	108.6520	0.000	1	108.6520	0.000	1	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.1514	1.701	5	108.1514	2.894	5	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.6190	0.000	1	109.4462	1.745	6	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.6116	1.406	5	109.4462	1.745	6	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	O[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	O[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.0700	0.000	1	107.0700	0.000	1	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	109.0420	0.000	1	109.0420	0.000	1	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.3700	0.000	1	109.3700	0.000	1	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.4125	0.220	2	108.3213	1.133	4	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.2300	0.219	2	108.3213	1.133	4	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]C)	109.2485	0.322	2	109.2485	0.104	2	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4640	0.000	1	108.4640	0.000	1	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CCHH)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.1290	0.000	1	108.1290	0.000	1	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	107.2200	0.295	3	107.2200	0.087	3	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.0795	1.464	2	108.0795	2.145	2	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN[5a]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN[5a]HH)(H){1|S<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.2840	0.000	1	109.2840	0.000	1	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6250	0.368	6	108.6250	0.135	6	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.4885	0.098	2	108.4885	0.010	2	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	106.1810	0.000	1	106.1810	0.000	1	108.5363	1.417	46	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	2:4:4:1:	3:4:	4:	O[6]-2:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)	H(C[6]C[6]2O[6])	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2O[6])	108.8210	0.156	2	108.8210	0.024	2	108.8210	0.024	2	108.5373	1.238	56	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2{1|C<4>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|N<3>}	H(C[6]C[5,6]O[6]H)	109.8280	0.004	2	109.8280	0.000	2	109.8280	0.000	2	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	110.0940	0.000	1	109.9375	0.011	4	109.9375	0.011	4	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.8853	0.025	3	109.9375	0.011	4	109.9375	0.011	4	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	H(C[6]C[5a,6]O[6]H)	109.7015	0.039	4	109.6921	0.003	7	109.4360	0.121	16	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|N<2>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	H(C[6]C[5a,6]O[6]H)	109.7280	0.010	2	109.6921	0.003	7	109.4360	0.121	16	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,4|C<3>}	H(C[6]C[5a,6]O[6]H)	109.5830	0.000	1	109.6921	0.003	7	109.4360	0.121	16	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<2>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[5a,6]O[6]H)	109.2095	0.033	2	109.2095	0.001	2	109.4360	0.121	16	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<2>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]HH){1|N<2>,3|C<3>}	H(C[6]C[5a,6]O[6]H)	109.3665	0.006	2	109.3665	0.000	2	109.4360	0.121	16	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|N<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]O[6]H)	109.2870	0.000	1	109.2870	0.000	1	109.4360	0.121	16	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH){1|N<2>,2|C<3>,2|N<3>}	H(C[6]C[5a,6]O[6]H)	109.1730	0.557	4	109.1730	0.310	4	109.4360	0.121	16	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	109.3540	0.399	3	109.3540	0.159	3	109.2554	0.099	5	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	109.1075	0.054	2	109.1075	0.003	2	109.2554	0.099	5	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	O[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]HH){1|N<3>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.6900	0.011	2	109.6900	0.000	2	109.6900	0.000	2	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH){1|C<4>,2|C<3>,2|N<2>}	H(C[6]C[6,6a]O[6]H)	108.6710	0.024	2	108.6710	0.001	2	108.6710	0.001	2	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH){1|N<3>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.2630	0.061	2	109.2630	0.004	2	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0413	0.716	16	109.3289	0.157	90	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|F<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.7290	0.030	2	109.3289	0.157	90	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.5700	0.044	6	109.3289	0.157	90	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.4758	0.183	23	109.3289	0.157	90	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	108.9070	0.045	2	109.3289	0.157	90	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|O<2>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.7270	0.038	2	109.3289	0.157	90	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	108.7550	0.028	2	109.3289	0.157	90	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.4348	0.099	12	109.3289	0.157	90	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.2851	0.248	25	109.3289	0.157	90	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH){4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.6641	0.104	8	109.6641	0.011	8	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH){5|C<3>}	H(C[6]C[6,6a]O[6]H)	108.6842	0.175	4	108.6842	0.031	4	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]C[6,6a])(H)2{5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0990	0.000	1	109.0990	0.000	1	109.3265	0.162	105	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(H)2{1|H<1>,2|C<3>,2|N<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.0965	0.039	2	109.0965	0.002	2	108.7727	2.306	9	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.2360	0.000	1	109.2360	0.000	1	108.7727	2.306	9	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6])(O[6]C[6,6a])(H)2{4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]O[6]H)	108.9315	3.299	2	108.9315	10.881	2	108.7727	2.306	9	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]O)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]O)(O[6]C[6,6a])(H)2{3|C<3>}	O[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]H)	107.1330	0.018	2	107.1330	0.000	2	108.7727	2.306	9	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]C)(O[6]C[6,6a])(H)2{3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]O[6]H)	109.6980	0.024	2	109.6980	0.001	2	108.7727	2.306	9	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	O[6](C[6]C[4x6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[4x6]O)(C[6]C[6]HH){1|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.0710	0.000	1	108.8692	0.095	4	108.7837	0.478	22	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	O[6](C[6]C[4x6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	O[6](C[6]C[4x6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	108.8020	0.339	3	108.8692	0.095	4	108.7837	0.478	22	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.5710	0.040	2	109.5710	0.002	2	108.7837	0.478	22	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	108.1875	0.018	2	108.1875	0.000	2	108.7837	0.478	22	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]HH){3|C<3>}	H(C[6]C[6]O[6]H)	109.0770	0.014	2	109.0770	0.000	2	108.7837	0.478	22	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,2|C<3>}	O[6](C[6]C[5]C[6])(C[6]C[6]HH){1|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.0598	0.138	6	109.0598	0.019	6	108.7837	0.478	22	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]C)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	108.7700	0.014	2	108.7700	0.000	2	108.7837	0.478	22	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]H)(O[6]C[6])(H)2{1|S<4>,2|C<3>}	O[6](C[6]C[6,6]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]O[6]H)	107.4665	1.879	2	107.4665	3.530	2	108.7837	0.478	22	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	O[6](C[6]C[5a]N[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<2>}	O[6](C[6]C[5a]N[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]O[6]H)	108.6305	0.025	2	108.6305	0.001	2	108.7837	0.478	22	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6,6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6,6a]C[6,6])(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]O[6]H)	109.5240	0.057	4	109.5240	0.003	4	109.5553	0.033	7	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]O[6]H)	109.4240	0.014	2	109.4240	0.000	2	109.5553	0.033	7	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6]S[6])(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]N[6,6]O[6]H)	109.9430	0.000	1	109.9430	0.000	1	109.5553	0.033	7	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2{2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH){1|C<4>,1|O<1>,3|C<3>}	H(C[6]N[6]O[6]H)	108.9010	0.034	2	108.9010	0.001	2	108.9010	0.001	2	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]O[6]H)	108.7670	0.000	1	108.7040	0.003	4	108.8495	0.053	6	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){2|C<4>,3|C<3>}	H(C[6]N[6]O[6]H)	108.6830	0.043	3	108.7040	0.003	4	108.8495	0.053	6	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]N[6,6a]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]N[6,6a]C)(O[6]C[6,6a])(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH){1|C<4>,2|C<3>,2|N<3>}	H(C[6]N[6]O[6]H)	109.1405	0.028	2	109.1405	0.001	2	108.8495	0.053	6	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6]N[6])(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2{1|N<3>,1|O<1>,3|C<3>}	O[6](C[6]C[6]N[6])(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>}	H(C[6]N[6]O[6]H)	105.5485	3.905	2	105.5485	15.252	2	105.5485	15.252	2	109.2051	0.567	184	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:2:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]N[6]O)(O[6]N[6])(H)2	O[6](C[6]C[6]HH)(N[6]C[6])	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]N[6])(H)2{1|C<3>,1|H<1>}	O[6](C[6]C[6]HH)(N[6]C[6]){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	109.5875	0.005	2	109.5875	0.000	2	109.5875	0.000	2	109.5875	0.000	2	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O){1|C<4>,2|C<3>}	H(C[6]C[6,6]O[6]H)	108.4135	0.049	2	108.4135	0.002	2	109.1921	0.137	14	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]C)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|O<2>}	O[6](C[6]C[6,6]HH)(C[6]C[6]C){1|H<1>,2|C<3>}	H(C[6]C[6,6]O[6]H)	109.1640	0.018	2	109.1640	0.000	2	109.1921	0.137	14	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|H<1>,2|C<3>}	H(C[6]C[6,6]O[6]H)	109.4249	0.120	8	109.3535	0.034	10	109.1921	0.137	14	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.0680	0.033	2	109.3535	0.034	10	109.1921	0.137	14	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	108.6600	0.010	2	108.6600	0.000	2	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O){3|C<3>}	H(C[6]C[6,6a]O[6]H)	108.3100	0.006	2	108.3100	0.000	2	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N){2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	109.6017	0.198	6	109.6017	0.039	6	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]C)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]C){1|P<4>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.5190	0.038	2	109.3540	0.082	3	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]C)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]C){1|H<1>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0240	0.000	1	109.3540	0.082	3	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]H){1|C<4>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0900	0.031	2	109.0900	0.001	2	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]N)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]N){1|N<2>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	108.8825	0.046	4	108.9386	0.017	5	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]N)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.1630	0.000	1	108.9386	0.017	5	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.1038	0.302	8	109.2522	0.072	17	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.3557	0.143	3	109.2522	0.072	17	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|F<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.5710	0.007	2	109.2522	0.072	17	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]O)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.3120	0.120	4	109.2522	0.072	17	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6]){1|C<4>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.6165	0.009	2	109.3115	0.063	8	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0863	0.063	4	109.3115	0.063	8	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6]){1|I<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.4570	0.024	2	109.3115	0.063	8	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]N[6]N)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|N<2>}	O[6](C[6]C[6,6a]HH)(C[6]N[6]N){2|C<3>}	H(C[6]C[6,6a]O[6]H)	108.7010	0.030	2	108.7010	0.001	2	109.1844	0.135	47	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.2560	0.017	2	108.7403	0.334	8	108.5319	0.728	27	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	108.8195	0.019	2	108.7403	0.334	8	108.5319	0.728	27	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	108.4428	0.692	4	108.7403	0.334	8	108.5319	0.728	27	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>}	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]O[6]H)	109.4355	0.020	4	109.4355	0.000	4	108.5319	0.728	27	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	108.4300	0.004	2	108.4300	0.000	2	108.5319	0.728	27	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]N[6]C){1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	108.7040	0.056	3	108.7040	0.003	3	108.5319	0.728	27	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]O)(O[6]C[6])(H)2{1|C<4>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]H)	108.0960	0.027	2	107.9726	1.081	10	108.5319	0.728	27	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]O)(O[6]C[6])(H)2{1|C<4>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	107.9417	1.177	8	107.9726	1.081	10	108.5319	0.728	27	108.9854	0.402	88	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:2:1:	3:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HO)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HO){1|O<2>,4|C<3>}	H(C[6]C[6,6a]O[6]O)	102.6130	2.089	2	102.6130	4.363	2	104.7303	15.631	3	107.3471	11.218	7	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:2:1:	3:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H){1|O<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]O)	108.9650	0.000	1	108.9650	0.000	1	104.7303	15.631	3	107.3471	11.218	7	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:2:1:	3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H)	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6]H){1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[6a]O[6]2)	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	107.3471	11.218	7	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:2:1:	3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H){2|C<4>,4|C<3>}	H(C[6]C[6a]O[6]2)	109.2230	0.063	3	109.2230	0.004	3	109.2230	0.004	3	107.3471	11.218	7	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:2:1:	4:3:	4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]C)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H){1|C<4>,1|O<1>,3|C<3>}	O[6](C[6]C[6,6]HO)(C[6]C[6]C){1|H<1>,2|C<3>}	H(C[6]C[6,6]O[6]O)	107.3280	0.000	1	107.3280	0.000	1	108.4360	2.455	2	108.6201	0.719	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:2:1:	4:3:	4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]O)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]HO)(C[6]C[6]O){1|H<1>,2|C<3>}	H(C[6]C[6,6]O[6]O)	109.5440	0.000	1	109.5440	0.000	1	108.4360	2.455	2	108.6201	0.719	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:2:1:	4:3:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6,6a]O)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H){1|H<1>,1|O<1>,3|C<3>}	O[6](C[6]C[6,6a]HO)(C[6]C[6,6a]O){3|C<3>}	H(C[6]C[6,6a]O[6]O)	108.5765	0.169	2	108.5765	0.029	2	108.7601	0.066	10	108.6201	0.719	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:2:1:	4:3:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6]C)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HO)(C[6]C[6]C){1|I<1>,2|C<3>}	H(C[6]C[6,6a]O[6]O)	108.8060	0.262	8	108.8060	0.068	8	108.7601	0.066	10	108.6201	0.719	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:2:1:	4:3:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]C)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]O)	109.7190	0.000	1	109.7190	0.000	1	108.3407	3.602	3	108.6201	0.719	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:2:1:	4:3:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<4>,2|C<3>}	H(C[6]C[6]O[6]O)	109.1270	0.000	1	109.1270	0.000	1	108.3407	3.602	3	108.6201	0.719	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:2:1:	4:3:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]HO)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]O)	106.1760	0.000	1	106.1760	0.000	1	108.3407	3.602	3	108.6201	0.719	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:2:1:	4:3:	4:	C[6a]-3:N[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H){2|H<1>,5|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	H(C[6]C[6a]N[6]O[6])	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	108.6201	0.719	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[5a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(O[6]C[6,6a])(C[6]N[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a,6a]C[5a])(O[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[5a]C[6]O[6])	106.9370	0.000	1	106.9370	0.000	1	106.9370	0.000	1	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	108.1425	0.603	2	107.3835	0.276	14	107.2753	1.277	20	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Cl<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	107.0780	0.000	1	107.3835	0.276	14	107.2753	1.277	20	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	106.7660	0.320	2	107.3835	0.276	14	107.2753	1.277	20	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4159	0.392	7	107.3835	0.276	14	107.2753	1.277	20	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	106.9950	0.000	1	107.3835	0.276	14	107.2753	1.277	20	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	107.5680	0.000	1	107.3835	0.276	14	107.2753	1.277	20	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	102.9970	0.000	1	105.6510	14.087	2	107.2753	1.277	20	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3050	0.000	1	105.6510	14.087	2	107.2753	1.277	20	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|Br<1>,1|N<3>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.7920	0.000	1	107.7920	0.000	1	107.2753	1.277	20	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.1730	0.000	1	107.1730	0.000	1	107.2753	1.277	20	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){1|N<2>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	107.9350	0.001	2	107.9350	0.000	2	107.2753	1.277	20	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	107.2860	0.297	2	107.2860	0.088	2	108.3233	0.778	11	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	109.7310	0.000	1	108.6241	0.673	8	108.3233	0.778	11	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	107.5000	0.000	1	108.6241	0.673	8	108.3233	0.778	11	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|Cl<1>,1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	107.3960	0.000	1	108.6241	0.673	8	108.3233	0.778	11	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	108.8330	0.407	2	108.6241	0.673	8	108.3233	0.778	11	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	108.9000	0.339	3	108.6241	0.673	8	108.3233	0.778	11	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	107.9910	0.000	1	107.9910	0.000	1	108.3233	0.778	11	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	N[6]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]O[6]C)	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.6231	1.260	33	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	4:3:	4:	C[6,6]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]O){1|H<1>,2|C<3>}	H(C[6]C[6,6]O[6]C)	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	108.3505	0.408	4	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	4:3:	4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	H(C[6]C[6,6a]O[6]C)	107.9690	0.280	2	107.9690	0.078	2	108.4003	0.597	3	108.3505	0.408	4	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:3:1:	4:3:	4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	H(C[6]C[6,6a]O[6]C)	109.2630	0.000	1	109.2630	0.000	1	108.4003	0.597	3	108.3505	0.408	4	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[5,6]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]C)	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(CH3)(H){1|N<3>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH){1|H<1>,4|C<3>}	H(C[6]C[5a,6]O[6]C)	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[5a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]O[6]CH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]O[6]CH)(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	107.9680	0.000	1	107.9680	0.000	1	107.9680	0.000	1	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH){1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[6,6]O[6]C)	109.0700	0.000	1	109.0700	0.000	1	109.0700	0.000	1	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH){1|O<2>,4|C<3>}	H(C[6]C[6,6a]O[6]C)	108.3510	0.000	1	108.3510	0.000	1	106.6185	6.003	2	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]C)	104.8860	0.000	1	104.8860	0.000	1	106.6185	6.003	2	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H){1|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]C)	107.7300	0.000	1	107.7300	0.000	1	108.0122	0.354	4	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]C)	108.9050	0.000	1	108.1063	0.479	3	108.0122	0.354	4	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]C)	107.7070	0.018	2	108.1063	0.479	3	108.0122	0.354	4	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H)	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H){5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH){1|S<4>,4|C<3>}	H(C[6]C[6]O[6]C)	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.2270	0.151	2	108.2270	0.023	2	107.6980	0.851	3	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	106.6400	0.000	1	106.6400	0.000	1	107.6980	0.851	3	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	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[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	106.9485	0.080	2	106.9485	0.006	2	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CF)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CF)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|F<1>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	107.8910	0.000	1	107.8910	0.000	1	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|N<3>,3|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.5820	0.000	1	109.5820	0.000	1	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2585	0.364	2	108.0309	1.437	32	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.5910	0.579	3	108.0309	1.437	32	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5290	0.000	1	108.0309	1.437	32	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6225	0.139	2	108.0309	1.437	32	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	103.0810	0.000	1	108.0309	1.437	32	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6085	0.466	2	108.0309	1.437	32	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.1054	0.969	14	108.0309	1.437	32	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7580	0.000	1	108.0309	1.437	32	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.0782	0.859	5	108.0309	1.437	32	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.0020	0.000	1	108.0309	1.437	32	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9090	0.280	2	108.9090	0.078	2	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2168	1.336	4	107.7640	1.704	6	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4530	0.000	1	107.7640	1.704	6	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	106.2640	0.000	1	107.7640	1.704	6	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	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[6](C[6,6a]C[6,6a]2)(C[6]C[6a]C[6]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.3360	0.000	1	107.3360	0.000	1	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7220	0.000	1	108.5949	0.583	13	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.0043	0.469	7	108.5949	0.583	13	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.9964	0.822	5	108.5949	0.583	13	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|S<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.3510	0.000	1	107.4560	0.034	5	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|S<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4820	0.000	1	107.4560	0.034	5	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|S<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.3190	0.000	1	107.4560	0.034	5	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|S<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.5640	0.288	2	107.4560	0.034	5	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H){3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3150	0.000	1	108.3150	0.000	1	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H){1|F<1>,1|H<1>,1|S<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.2700	0.000	1	109.2700	0.000	1	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.3840	0.000	1	109.3840	0.000	1	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8090	0.226	2	108.8090	0.051	2	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4060	0.000	1	107.4060	0.000	1	108.1319	1.143	69	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	N[5a,6]-3:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]O[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H){2|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]O[6])	108.0600	0.000	1	108.0600	0.000	1	108.0600	0.000	1	108.0977	1.119	85	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]O){1|H<1>,2|C<3>}	H(C[6]C[6,6]O[6]C)	107.3683	0.222	3	107.3683	0.049	3	107.3683	0.049	3	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H){1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]C)	107.8860	0.000	1	107.8860	0.000	1	107.1439	1.124	10	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]C)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|H<1>,2|C<3>}	H(C[6]C[6,6a]O[6]C)	107.8000	0.000	1	107.8000	0.000	1	107.1439	1.124	10	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]C)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]O[6]C)	106.6733	0.380	3	106.6733	0.144	3	107.1439	1.124	10	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	H(C[6]C[6,6a]O[6]C)	104.7140	0.000	1	104.7140	0.000	1	107.1439	1.124	10	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	O[6](C[6]C[6,6a]CH)(C[6]N[6]O)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]N[6]O){1|S<4>,2|C<3>}	H(C[6]C[6,6a]O[6]C)	107.9310	0.000	2	107.9310	0.000	2	107.1439	1.124	10	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H){1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]C)	108.1550	0.000	1	108.1550	0.000	1	107.1439	1.124	10	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6,6a]CH)(C[6]N[6]H)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H){1|H<1>,1|N<2>,2|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]N[6]H){1|N<2>,1|N<3>}	H(C[6]C[6,6a]O[6]C)	107.0020	0.000	1	107.0020	0.000	1	107.1439	1.124	10	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	106.5050	0.000	1	106.5050	0.000	1	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	111.8980	0.000	1	111.8980	0.000	1	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]N)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|N<2>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]C)	107.6090	0.000	1	107.6090	0.000	1	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]C)	111.9060	0.000	1	111.3466	1.788	8	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,1|O<4>}	H(C[6]C[6]O[6]C)	113.9320	0.000	1	111.3466	1.788	8	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	110.8225	0.879	6	111.3466	1.788	8	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]C)	108.4230	0.384	3	108.4230	0.147	3	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	108.5795	1.873	2	108.5795	3.509	2	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.3060	0.000	1	108.5453	0.839	9	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]C)	110.3580	0.000	1	108.5453	0.839	9	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0080	0.000	1	108.5453	0.839	9	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.5950	0.000	1	108.5453	0.839	9	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.6403	0.582	3	108.5453	0.839	9	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.3600	0.037	2	108.5453	0.839	9	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]S)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	O[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.2565	0.416	2	109.2565	0.173	2	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.0680	1.840	4	107.2416	2.689	5	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	107.9360	0.000	1	107.2416	2.689	5	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.5290	0.000	1	107.5290	0.000	1	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	H(C[6]C[6]O[6]C)	108.7250	0.279	2	108.7250	0.078	2	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]S)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	O[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	H(C[6]C[6]O[6]C)	108.9410	0.000	1	108.9410	0.000	1	109.0212	3.307	36	108.5369	3.290	49	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	3:4:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	108.9590	0.676	3	108.9590	0.457	3	108.5529	0.367	7	108.0351	0.557	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	3:4:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	108.4027	0.263	3	108.4027	0.069	3	108.5529	0.367	7	108.0351	0.557	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	3:4:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	107.7850	0.000	1	107.7850	0.000	1	108.5529	0.367	7	108.0351	0.557	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	3:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	106.8270	0.000	1	107.7083	1.235	3	107.6576	0.641	5	108.0351	0.557	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	3:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|P<4>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.3410	0.000	1	107.7083	1.235	3	107.6576	0.641	5	108.0351	0.557	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	3:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.9570	0.000	1	107.7083	1.235	3	107.6576	0.641	5	108.0351	0.557	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	3:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Br<1>,1|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.3910	0.000	1	107.5815	0.073	2	107.6576	0.641	5	108.0351	0.557	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	3:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|N<3>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.7720	0.000	1	107.5815	0.073	2	107.6576	0.641	5	108.0351	0.557	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	3:4:	4:	N[5,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)	H(C[6]N[5,6]C[6a]O[6])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]N[5,6]C[6a]O[6])	107.9680	0.000	1	107.9680	0.000	1	107.9680	0.000	1	108.0351	0.557	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	3:4:	4:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)	H(C[6]N[5a,6]C[6a]O[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H){1|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6a]O[6])	107.3520	0.000	1	107.5210	0.057	2	107.5210	0.057	2	108.0351	0.557	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	3:4:	4:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)	H(C[6]N[5a,6]C[6a]O[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H){1|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6a]O[6])	107.6900	0.000	1	107.5210	0.057	2	107.5210	0.057	2	108.0351	0.557	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	3:4:	4:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]N[6]O[6])	107.3930	0.000	1	107.3930	0.000	1	107.3930	0.000	1	108.0351	0.557	16	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.7190	0.355	2	107.9097	0.196	7	107.9922	0.174	9	107.7334	3.116	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.0182	0.555	4	107.9097	0.196	7	107.9922	0.174	9	107.7334	3.116	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O){6|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.8570	0.000	1	107.9097	0.196	7	107.9922	0.174	9	107.7334	3.116	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.3300	0.000	1	108.3300	0.000	1	107.9922	0.174	9	107.7334	3.116	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]){6|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.2320	0.000	1	108.2320	0.000	1	107.9922	0.174	9	107.7334	3.116	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H)	O[6](C[6]C[6,6a]N[5]H)(C[6]C[6]C)	H(C[6]C[6,6a]N[5]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H){1|H<1>,4|C<3>,5|C<4>}	O[6](C[6]C[6,6a]N[5]H)(C[6]C[6]C){1|C<4>,1|N<3>,1|P<4>,2|C<3>}	H(C[6]C[6,6a]N[5]O[6])	106.7720	0.000	1	106.7720	0.000	1	106.7720	0.000	1	107.7334	3.116	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]N[6]H)(C[6]C[6,6a]O)	H(C[6]C[6,6a]N[6]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6,6a]N[6]H)(C[6]C[6,6a]O){2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6]O[6])	107.4740	0.000	1	107.4740	0.000	1	107.4740	0.000	1	107.7334	3.116	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){5|C<3>}	H(C[6]C[6a]C[6]O[6])	101.4450	0.000	1	101.4450	0.000	1	101.4450	0.000	1	107.7334	3.116	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6]-3:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]C)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[5]O[6])	106.6770	0.000	1	106.6770	0.000	1	106.6770	0.000	1	107.7334	3.116	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3375	0.398	2	108.3375	0.158	2	108.6867	0.445	3	107.7334	3.116	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	109.3850	0.000	1	109.3850	0.000	1	108.6867	0.445	3	107.7334	3.116	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|F<1>,4|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	109.4220	0.052	2	109.4220	0.003	2	109.4220	0.003	2	107.7334	3.116	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	3:4:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|N<3>,2|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a]C[6]O[6])	109.4500	0.000	1	109.4500	0.000	1	109.0500	0.134	3	108.1215	0.625	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	3:4:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	108.8500	0.170	2	108.8500	0.029	2	109.0500	0.134	3	108.1215	0.625	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	3:4:	4:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	107.1560	0.000	1	107.1560	0.000	1	107.3750	0.096	2	108.1215	0.625	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	3:4:	4:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	107.5940	0.000	1	107.5940	0.000	1	107.3750	0.096	2	108.1215	0.625	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	3:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5430	0.171	2	108.1947	0.379	3	108.1947	0.379	3	108.1215	0.625	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	3:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4980	0.000	1	108.1947	0.379	3	108.1947	0.379	3	108.1215	0.625	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	3:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,8|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.6177	0.571	3	107.6177	0.325	3	107.6177	0.325	3	108.1215	0.625	11	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:2:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6])	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]O[6])	108.2280	0.470	2	108.2280	0.220	2	108.0620	0.235	4	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]O[6])	107.4640	0.000	1	107.4640	0.000	1	108.0620	0.235	4	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<3>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	108.3280	0.000	1	108.3280	0.000	1	108.0620	0.235	4	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]C)	108.2670	0.672	2	108.2670	0.451	2	107.6257	1.460	3	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]O)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]O){4|C<3>}	H(C[6]C[6,6a]O[6]C)	106.3430	0.000	1	106.3430	0.000	1	107.6257	1.460	3	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C)	H(C[6]C[6,6a]C[6]O[6])	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[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C){2|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]O[6])	107.2430	0.000	1	107.2430	0.000	1	107.4583	0.060	3	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C)	H(C[6]C[6,6a]C[6]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,6|C<3>}	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C){1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]O[6])	107.5660	0.225	2	107.5660	0.051	2	107.4583	0.060	3	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	107.7020	0.000	1	107.7020	0.000	1	107.6798	0.990	5	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.2980	0.000	1	109.2980	0.000	1	107.6798	0.990	5	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|S<1>,2|C<4>}	H(C[6]C[6]O[6]C)	107.2160	0.000	1	107.2160	0.000	1	107.6798	0.990	5	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]S)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|S<1>}	O[6](C[6]C[6]CH)(C[6]C[6]S){1|N<3>,1|S<1>,2|C<4>}	H(C[6]C[6]O[6]C)	107.0915	0.658	2	107.0915	0.433	2	107.6798	0.990	5	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){2|H<1>,2|O<1>,3|C<3>}	O[6](C[6]C[6]2H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2O[6])	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	106.8730	0.000	1	106.8730	0.000	1	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.1080	0.000	1	108.3774	0.070	5	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6a]C[6]O[6])	108.4985	0.237	2	108.3774	0.070	5	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3910	0.349	2	108.3774	0.070	5	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.2940	0.000	1	109.2940	0.000	1	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7590	0.103	2	108.7590	0.011	2	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.4800	0.000	1	108.4800	0.000	1	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]C)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7930	0.000	1	108.7930	0.000	1	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]N)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6680	0.466	3	108.6680	0.217	3	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6210	0.000	1	107.7644	3.977	9	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.1540	0.000	1	107.7644	3.977	9	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.0930	0.000	1	107.7644	3.977	9	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.1800	0.086	2	107.7644	3.977	9	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.4720	0.232	2	107.7644	3.977	9	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	106.6830	0.000	1	107.7644	3.977	9	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	103.0250	0.000	1	107.7644	3.977	9	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]C)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6420	0.000	1	108.6420	0.000	1	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	H(C[6]C[6a]C[6]O[6])	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[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7960	0.000	1	108.7960	0.000	1	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7610	0.000	1	108.7585	0.000	2	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7560	0.000	1	108.7585	0.000	2	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.3710	0.000	1	107.3710	0.000	1	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	107.8550	0.263	3	107.9954	0.096	5	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.2060	0.310	2	107.9954	0.096	5	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	107.8650	1.393	2	107.8650	1.940	2	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|S<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6390	0.000	1	108.6390	0.000	1	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	103.3500	0.000	1	103.3500	0.000	1	108.0744	1.856	37	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]O)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]N[5a]C[6]O[6])	106.8680	0.000	1	106.8680	0.000	1	107.5670	0.977	2	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]O)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]N[5a]C[6]O[6])	108.2660	0.000	1	108.2660	0.000	1	107.5670	0.977	2	107.9635	1.442	55	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH){3|H<1>,4|C<4>}	H(C[6]C[3,6]O[6]H)	109.1500	0.021	2	109.1500	0.000	2	109.1500	0.000	2	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]O[6]H)	109.1190	0.006	2	109.1190	0.000	2	109.1762	0.092	4	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[6a]C[3])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,6]C[6a]C[3])(O[6]C[6,6a])(H)2{1|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[3,6]O[6]H)	108.8700	0.000	1	108.8700	0.000	1	109.1762	0.092	4	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3]C[6]O[3])(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[3,6]O[6]H)	109.5970	0.000	1	109.5970	0.000	1	109.1762	0.092	4	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]N[4]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[4,6]O[6]H)	109.1557	0.066	4	109.1557	0.004	4	109.1557	0.004	4	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)	H(C[6]C[5,5,6]O[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,5,6]O[6]H)	109.3465	0.029	2	109.3465	0.001	2	109.3465	0.001	2	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(O[6]C[6,6a])(H)2{1|O<1>,2|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6,6]O[6]H)	109.1725	0.032	2	109.1725	0.001	2	109.1725	0.001	2	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	B[6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(H)2	O[6](B[6]C[6a]O[6])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](B[6]C[6a]O[6])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]O[6]H)	109.1145	0.074	4	109.1145	0.005	4	109.1145	0.005	4	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.5512	0.128	4	109.5512	0.016	4	109.5512	0.016	4	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2{2|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.2820	0.024	2	109.1243	0.023	6	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2{3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.0455	0.114	4	109.1243	0.023	6	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.2555	0.033	2	109.2555	0.001	2	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.1587	0.142	16	109.1587	0.020	16	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.1695	0.033	2	109.3096	0.043	55	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.1972	0.119	24	109.3096	0.043	55	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.4845	0.117	6	109.3096	0.043	55	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]O[6]H)	109.7805	0.033	2	109.3096	0.043	55	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[5,6]O[6]H)	109.9155	0.029	2	109.3096	0.043	55	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.2653	0.061	10	109.3096	0.043	55	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<2>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.3790	0.000	1	109.3096	0.043	55	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.3230	0.186	6	109.3096	0.043	55	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.3440	0.035	2	109.3096	0.043	55	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.3955	0.046	2	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	107.7850	4.264	2	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	107.9679	2.372	8	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.1958	0.017	4	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	108.9174	0.910	9	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.0590	0.462	2	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.3355	0.005	2	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.5745	0.035	2	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.1690	0.000	1	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.3630	0.018	2	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.2335	0.045	4	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.2070	0.000	1	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.4545	0.062	2	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.5290	0.000	1	108.8942	1.904	42	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.3149	0.245	7	109.3149	0.060	7	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]O)(O[6]C[6,6a])(H)2{2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.2395	0.173	4	109.2395	0.030	4	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.1255	0.016	2	109.1255	0.000	2	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.0530	0.010	2	109.0530	0.000	2	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(O[6]C[6,6a])(H)2{1|N<3>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]O[6]H)	109.2542	0.072	4	109.2542	0.005	4	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]O[6]H)	108.1170	2.061	2	109.0112	0.706	10	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.2348	0.126	8	109.0112	0.706	10	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.3201	0.067	8	109.3201	0.004	8	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]2O[6])(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.4970	0.027	2	109.4970	0.001	2	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.1130	0.000	1	109.1130	0.000	1	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.6818	0.126	12	109.6818	0.016	12	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]O[5]H)(O[6]C[6,6a])(H)2{2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.4338	0.224	4	109.4338	0.050	4	109.1956	0.548	177	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[3,5,6]O)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	O[6](C[6]C[3,5,6]O)(C[6]C[5,6]HH){1|H<1>,4|C<4>}	H(C[6]C[5,6]O[6]H)	107.6310	2.698	2	107.6310	7.281	2	107.6310	7.281	2	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	B[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2	O[6](B[6]C[6a]O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2{1|C<3>,3|O<2>,6|H<1>}	O[6](B[6]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.0980	0.157	6	109.0980	0.025	6	109.0980	0.025	6	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]O[6]H)	108.9745	0.046	2	108.5829	1.729	32	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	108.9930	0.054	2	108.5829	1.729	32	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]O[6]H)	108.5355	0.026	2	108.5829	1.729	32	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.3479	0.187	8	108.5829	1.729	32	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]O[6]H)	108.0711	1.706	16	108.5829	1.729	32	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]O[6]H)	108.8640	0.014	2	108.5829	1.729	32	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.4740	0.013	2	108.9582	0.205	36	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.2355	0.136	6	108.9582	0.205	36	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	108.8231	0.336	8	108.9582	0.205	36	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|N<2>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	107.9262	0.101	4	108.9582	0.205	36	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|N<3>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.1610	0.071	2	108.9582	0.205	36	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.1523	0.290	3	108.9582	0.205	36	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,3|C<3>,3|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	108.8970	0.043	4	108.9582	0.205	36	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.2103	0.033	3	108.9582	0.205	36	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	109.2120	0.093	4	108.9582	0.205	36	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]O[6]H)	109.0670	0.023	4	109.0670	0.001	4	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.4370	0.004	2	109.1958	0.078	4	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2{2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]H)	108.9545	0.033	2	109.1958	0.078	4	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.5405	0.039	2	109.5405	0.002	2	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.3025	0.217	14	109.2779	0.045	16	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.1055	0.023	2	109.2779	0.045	16	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6,6a])(H)2{5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	109.0218	0.106	5	109.0218	0.011	5	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(O[6]C[6,6a])(H)2{5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6]O[6]H)	109.1210	0.000	1	109.1210	0.000	1	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(H)2{2|H<1>,2|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6,6]O[6]H)	109.2115	0.023	2	109.2115	0.001	2	108.9253	0.682	102	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,3x6]C[6]2)(O[6]C[6])(H)2	O[6](C[6]C[3,5,6,6]O)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3,3x6]C[6]2)(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	O[6](C[6]C[3,5,6,6]O)(C[6]C[6,6]HH){5|C<4>}	H(C[6]C[6,6]O[6]H)	108.1465	0.046	2	108.1465	0.002	2	109.1087	0.152	22	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.2263	0.063	6	109.2145	0.016	12	109.1087	0.152	22	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){5|C<4>}	H(C[6]C[6,6]O[6]H)	109.0987	0.092	4	109.2145	0.016	12	109.1087	0.152	22	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<1>,4|H<1>,5|C<4>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.4105	0.025	2	109.2145	0.016	12	109.1087	0.152	22	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.4885	0.012	2	109.1906	0.140	8	109.1087	0.152	22	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){5|C<4>}	H(C[6]C[6,6]O[6]H)	108.5930	0.017	2	109.1906	0.140	8	109.1087	0.152	22	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<1>,4|H<1>,5|C<4>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.3385	0.018	2	109.1906	0.140	8	109.1087	0.152	22	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{2|C<3>,2|H<1>,2|O<1>,3|C<4>}	O[6](C[6]C[5,6,6]O)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.3425	0.009	2	109.1906	0.140	8	109.1087	0.152	22	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	B[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2	O[6](B[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](B[6]C[6,6]O)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0875	0.018	2	109.0875	0.000	2	108.9550	0.573	57	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	B[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	O[6](B[6]B[6]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|B<3>,1|O<2>,2|H<1>}	O[6](B[6]B[6]O[6])(C[6]C[6]HH){2|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	109.2856	0.032	9	109.2856	0.001	9	108.9550	0.573	57	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	B[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	O[6](B[6]C[5]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	O[6](B[6]C[5]O[6])(C[6]C[6]HH){1|B<3>,1|N<3>,4|C<4>}	H(C[6]C[6]O[6]H)	109.0205	0.137	8	109.0205	0.019	8	108.9550	0.573	57	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	B[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	O[6](B[6]C[6a]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	O[6](B[6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	108.6447	1.001	27	108.6447	1.002	27	108.9550	0.573	57	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	B[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6])(H)2	O[6](B[6]C[5]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	O[6](B[6]C[5]O[6])(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.5630	0.068	3	109.5630	0.005	3	108.9550	0.573	57	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	B[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6])(H)2	O[6](B[6]C[6a]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	O[6](B[6]C[6a]O[6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3040	0.151	8	109.3040	0.023	8	108.9550	0.573	57	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.9915	0.030	4	108.3358	3.816	16	108.4069	3.732	365	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	108.1172	2.235	12	108.3358	3.816	16	108.4069	3.732	365	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1245	0.005	2	109.1245	0.000	2	108.4069	3.732	365	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{2|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2752	0.072	4	108.6018	2.341	11	108.4069	3.732	365	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{2|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	107.7270	3.135	2	108.6018	2.341	11	108.4069	3.732	365	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{2|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4620	0.014	3	108.6018	2.341	11	108.4069	3.732	365	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{2|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH){2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	106.8395	1.337	2	108.6018	2.341	11	108.4069	3.732	365	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|S<2>}	O[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	108.4131	1.973	324	108.4131	3.892	324	108.4069	3.732	365	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	O[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	108.0365	1.256	12	108.0365	1.579	12	108.4069	3.732	365	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2{3|C<3>}	O[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3590	0.024	3	109.3590	0.001	3	109.2339	0.121	35	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2{3|C<3>}	O[6](C[6,6]C[6,6,6a]C[6])(C[6]C[6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3218	0.173	12	109.3218	0.030	12	109.2339	0.121	35	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.1605	0.016	2	109.1605	0.000	2	109.2339	0.121	35	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){3|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3795	0.006	2	109.3795	0.000	2	109.2339	0.121	35	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.4582	0.183	4	109.4483	0.020	6	109.2339	0.121	35	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<3>,2|H<1>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4285	0.035	2	109.4483	0.020	6	109.2339	0.121	35	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2{1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	108.7505	0.532	6	108.7505	0.283	6	109.2339	0.121	35	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9285	0.015	2	108.9285	0.000	2	109.2339	0.121	35	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]2)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>}	O[6](C[6,6]C[6,6]2)(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5595	0.008	2	109.5595	0.000	2	109.2339	0.121	35	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]N)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]N)(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]O[6]H)	108.9070	0.000	1	108.9070	0.000	1	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]O[6]H)(O[6]C[6,6a])(H)2{2|C<3>,2|N<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3720	0.000	1	109.3720	0.000	1	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]O)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|F<1>,2|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3015	0.011	2	109.3015	0.000	2	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(H)2{4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	105.7040	3.306	2	105.7040	10.932	2	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	107.8145	0.023	2	107.8145	0.001	2	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(H)2{1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|Br<1>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.9775	0.013	2	108.9775	0.000	2	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	108.1713	2.199	4	108.1713	4.835	4	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	108.8014	0.316	7	108.9918	0.133	11	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3250	0.114	4	108.9918	0.133	11	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]O[6]H)	109.3065	0.015	2	109.3065	0.000	2	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6,6a])(H)2{4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]O[6]H)	109.3340	0.031	2	109.3340	0.001	2	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	O[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.7195	0.009	2	108.7195	0.000	2	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6a]CH)(O[6]C[6,6a])(H)2	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6a]CH)(O[6]C[6,6a])(H)2{3|C<3>}	O[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(C[6]C[6]O[6]H)	109.4111	1.036	24	109.4111	1.072	24	108.9828	1.549	55	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3,3x6]HH)(O[6]C[6])(H)2	O[6](C[6]N[3,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,3x6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<4>}	O[6](C[6]N[3,6]O)(C[6]C[6]HH){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.7500	0.020	2	109.7500	0.000	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>}	O[6](C[6]C[3,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1145	0.213	4	109.1145	0.045	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(O[6]C[6])(H)2	O[6](C[6]N[3,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]N[3,6]O)(C[6]C[6]HH){4|C<4>}	H(C[6]C[6]O[6]H)	109.3025	0.025	2	109.3025	0.001	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[3,6]O)(C[6]C[6]HH){1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1522	0.085	4	109.1256	0.009	5	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[3,6]O)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0190	0.000	1	109.1256	0.009	5	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2	O[6](C[6]C[3x6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]C[3x6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0825	0.054	4	109.0825	0.003	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9800	0.010	2	108.9800	0.000	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[4,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[4,6]H)(C[6]C[6]HH){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	106.9660	5.279	2	106.9660	27.871	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]CC)(O[6]C[6])(H)2	O[6](C[6]C[5,5,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,5,6]CC)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,5,6]O)(C[6]C[6]HH){2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	106.9705	3.754	2	106.9705	14.093	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[6]C[5,6,6]O)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.7467	0.163	4	109.7467	0.027	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.2880	0.034	2	109.2880	0.001	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.4830	0.020	2	109.2225	0.349	6	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4320	0.008	2	109.2225	0.349	6	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.7525	0.018	2	109.2225	0.349	6	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<1>}	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2725	0.052	2	109.1770	0.013	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0815	0.008	2	109.1770	0.013	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	108.7805	0.025	2	108.7805	0.001	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	107.1945	3.956	2	108.1908	6.541	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.1870	0.035	2	108.1908	6.541	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[3x6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[3x6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8140	0.014	4	108.8140	0.000	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6,6]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4760	0.000	1	109.4760	0.000	1	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1632	0.254	6	108.3203	4.162	23	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	107.7019	2.577	13	108.3203	4.162	23	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9425	0.021	2	108.3203	4.162	23	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]O)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1895	0.022	2	108.3203	4.162	23	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]N[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]N[6,6]O)(C[6]C[6]HH){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	107.5305	1.856	2	107.5305	3.445	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]C[6a]C)(O[6]C[6])(H)2{1|O<1>,4|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	108.8957	0.126	4	108.8957	0.016	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{3|C<3>}	O[6](C[6]C[6,6a]C)(C[6]C[6]HH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2910	0.038	2	109.2910	0.001	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	107.1658	2.772	5	107.1658	7.684	5	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]N)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	O[6](C[6]C[6,6a]N)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	108.5530	1.529	6	108.5530	2.337	6	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[3,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	108.9520	0.000	1	108.7480	0.031	3	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[3,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	108.6460	0.016	2	108.7480	0.031	3	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.1720	0.000	2	109.1720	0.000	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5a]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[5a]C[6])(C[6]C[6]HH){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4317	0.067	4	109.4317	0.005	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8145	0.678	2	108.8145	0.460	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|Br<1>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.5427	0.030	4	109.5306	0.010	10	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|I<1>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.6925	0.018	2	109.5306	0.010	10	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4425	0.013	2	109.5306	0.010	10	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.4325	0.047	2	109.5306	0.010	10	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|S<4>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3085	0.030	2	109.3085	0.001	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[3,6]CC)(O[6]C[6])(H)2	O[6](C[6]C[3,6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[3,6]CC)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	O[6](C[6]C[3,6,6]O)(C[6]C[6]HH){1|N<3>,4|C<4>}	H(C[6]C[6]O[6]H)	109.0860	0.020	2	109.0860	0.000	2	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]C[6a]H)(O[6]C[6])(H)2	O[6](C[6]C[4,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[4,6]C[6a]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	O[6](C[6]C[4,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.5966	1.286	7	108.5966	1.653	7	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.1115	0.026	2	109.0410	0.014	6	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	109.1170	0.010	2	109.0410	0.014	6	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]O[6]H)	108.8945	0.056	2	109.0410	0.014	6	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0620	0.000	1	109.2070	0.018	3	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	O[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2795	0.071	2	109.2070	0.018	3	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<1>}	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5600	0.007	2	109.4348	0.022	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[5a,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3095	0.049	2	109.4348	0.022	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{2|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.2425	0.158	4	109.2425	0.025	4	108.8195	1.934	141	108.7920	2.066	984	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]N[6])(H)2	O[6](C[6]C[6]HH)(N[6]C[6])	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]N[6])(H)2{1|C<3>,1|O<1>}	O[6](C[6]C[6]HH)(N[6]C[6]){1|C<3>,1|S<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4735	0.009	2	109.4735	0.000	2	109.4735	0.000	2	109.4735	0.000	2	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[3,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(H)2	O[6](C[6]C[3,6,6]HH)(C[6]C[6]O)	H(C[6]C[3,6,6]O[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[3,6,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[3,6,6]O[6]H)	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(H)2	O[6](C[6]C[3,6]HH)(C[6]C[3,6]O)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>}	O[6](C[6]C[3,6]HH)(C[6]C[3,6]O){2|H<1>,3|C<4>}	H(C[6]C[3,6]O[6]H)	104.7335	2.849	4	104.7335	8.117	4	105.9750	8.570	6	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2	O[6](C[6]C[3,6]HH)(C[6]C[6]C)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[3,6]HH)(C[6]C[6]C){2|C<4>,2|H<1>}	H(C[6]C[3,6]O[6]H)	108.4580	0.054	2	108.4580	0.003	2	105.9750	8.570	6	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[3,6]C[3x6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[3x6]HH)(C[6]C[6,6]O)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3,6]C[3x6]C[6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	O[6](C[6]C[3x6]HH)(C[6]C[6,6]O){5|C<4>}	H(C[6]C[3x6]O[6]H)	108.0240	0.014	2	108.0240	0.000	2	108.9167	0.355	12	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[3x6]HH)(C[6]C[6,6]H)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,4|C<4>,5|H<1>}	O[6](C[6]C[3x6]HH)(C[6]C[6,6]H){4|C<4>}	H(C[6]C[3x6]O[6]H)	109.3727	0.023	6	109.3727	0.001	6	108.9167	0.355	12	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[3x6]HH)(C[6]C[6,6]O)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O[6](C[6]C[3x6]HH)(C[6]C[6,6]O){5|C<4>}	H(C[6]C[3x6]O[6]H)	108.3640	0.000	1	108.3640	0.000	1	108.9167	0.355	12	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(H)2	O[6](C[6]C[3x6]HH)(C[6]N[6]O)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6]C[3x6]HH)(C[6]N[6]O){2|C<4>,2|H<1>}	H(C[6]C[3x6]O[6]H)	109.4670	0.000	1	109.4670	0.000	1	108.9167	0.355	12	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(O[6]C[6])(H)2	O[6](C[6]C[3x6]HH)(C[6]C[6,6]O)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[6,6]2C[6])(O[6]C[6])(H)2{1|O<1>,4|H<1>,5|C<4>}	O[6](C[6]C[3x6]HH)(C[6]C[6,6]O){1|H<1>,4|C<4>}	H(C[6]C[3x6]O[6]H)	108.4430	0.037	2	108.4430	0.001	2	108.9167	0.355	12	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2	O[6](C[6]C[4x6]HH)(C[6]C[6]O)	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[4x6]HH)(C[6]C[6]O){2|C<3>,2|C<4>}	H(C[6]C[4x6]O[6]H)	108.6965	0.225	4	108.6965	0.051	4	108.7634	0.038	7	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[4x6]C[4x6]C[6,6]2)(O[6]C[6])(H)2	O[6](C[6]C[4x6]HH)(C[6]C[6]O)	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[4x6]C[6,6]2)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6]C[4x6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[4x6]O[6]H)	108.8527	0.133	3	108.8527	0.018	3	108.7634	0.038	7	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[3,6]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]C[3,6]O){1|H<1>,4|C<4>}	H(C[6]C[5,6,6]O[6]H)	109.2275	0.023	2	109.2275	0.001	2	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[3,6]C[5,6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,4x6]C[3,6]C[5,6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|O<2>,4|C<4>}	H(C[6]C[5,6,6]O[6]H)	108.5618	0.030	4	108.5618	0.001	4	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|O<1>,4|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]O[6]H)	109.3845	0.015	2	108.6109	0.142	12	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|O<2>,4|C<4>}	H(C[6]C[5,6,6]O[6]H)	108.4635	0.019	2	108.6109	0.142	12	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|O<1>,3|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]O[6]H)	108.5425	0.078	2	108.6109	0.142	12	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]O[6]H)	108.4685	0.154	4	108.6109	0.142	12	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,3x6]O){1|O<2>,4|C<4>}	H(C[6]C[5,6,6]O[6]H)	108.3380	0.030	2	108.6109	0.142	12	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[5,6]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,5,6]C[6,6a]C[5,6])(O[6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[5,6,6]HH)(C[6]C[5,6]O){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6,6]O[6]H)	108.0565	0.049	2	108.0565	0.002	2	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[6,6]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|C<4>,5|H<1>}	O[6](C[6]C[5,6,6]HH)(C[6]C[6,6]O){1|C<2>,4|C<4>}	H(C[6]C[5,6,6]O[6]H)	108.2985	0.019	2	108.2985	0.000	2	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]N[6]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	O[6](C[6]C[5,6,6]HH)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]O[6]H)	109.1720	0.014	2	109.1720	0.000	2	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6,6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[6]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,6]2C[6,6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[5,6,6]O[6]H)	108.1170	0.023	2	108.1170	0.001	2	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,6]3)(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[6]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,6]3)(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[5,6,6]O[6]H)	108.2460	0.091	4	108.2460	0.008	4	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[6,6,6a]C[5,6]2)(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[6,6,6a]C[5,6]2)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[5,6,6]HH)(C[6]C[6,6a]O){2|C<3>,2|C<4>}	H(C[6]C[5,6,6]O[6]H)	108.8345	2.983	4	108.8345	8.899	4	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O[6](C[6]C[5,6,6]HH)(C[6]C[6,6a]O){1|C<4>,3|C<3>}	H(C[6]C[5,6,6]O[6]H)	108.3903	0.021	4	108.3903	0.000	4	108.5580	0.860	38	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	O[6](C[6]C[5,6]FH)(C[6]C[6,6]O)	H(C[6]C[5,6]O[6]F)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	O[6](C[6]C[5,6]FH)(C[6]C[6,6]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]F)	108.7170	0.000	1	108.7900	0.011	2	108.7900	0.011	2	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H)	O[6](C[6]C[5,6]FH)(C[6]C[6,6]O)	H(C[6]C[5,6]O[6]F)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6])(F)(H){1|O<1>,2|H<1>,4|C<4>}	O[6](C[6]C[5,6]FH)(C[6]C[6,6]O){2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]F)	108.8630	0.000	1	108.7900	0.011	2	108.7900	0.011	2	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.6660	0.000	1	107.5340	4.558	3	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2{1|O<1>,2|O<2>,4|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]O[6]H)	106.4680	1.516	2	107.5340	4.558	3	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6,6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6,6]O){1|C<3>,3|C<4>}	H(C[6]C[5,6]O[6]H)	109.4123	0.066	3	109.3938	0.003	5	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6,6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6,6]O){4|C<4>}	H(C[6]C[5,6]O[6]H)	109.3660	0.042	2	109.3938	0.003	5	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.2660	0.021	2	108.0012	2.724	5	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]H)	109.0370	0.000	1	108.0012	2.724	5	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]H)	106.2185	0.515	2	108.0012	2.724	5	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[5,6]N)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[5,6]N){1|C<2>,1|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]H)	109.1180	0.065	4	109.1180	0.004	4	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[5,6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[5,6]O){1|H<1>,4|C<4>}	H(C[6]C[5,6]O[6]H)	108.7750	0.018	2	108.7750	0.000	2	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.2441	0.071	10	108.8296	2.656	16	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	108.8460	0.010	2	108.8296	2.656	16	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,3|C<3>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[5,6]O[6]H)	109.8940	0.011	2	108.8296	2.656	16	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	105.6765	3.990	2	108.8296	2.656	16	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]N[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<4>,2|C<4>}	O[6](C[6]C[5,6]HH)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]O[6]H)	109.3755	0.006	2	109.3765	0.003	6	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]N[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	O[6](C[6]C[5,6]HH)(C[6]N[6]O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.3770	0.067	4	109.3765	0.003	6	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|N<2>,1|O<2>,3|C<4>}	H(C[6]C[5,6]O[6]H)	107.1880	1.379	2	107.1298	1.232	4	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){2|O<2>,3|C<4>}	H(C[6]C[5,6]O[6]H)	107.0715	1.334	2	107.1298	1.232	4	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[5,6]O[6]H)	108.5335	1.135	4	108.1399	3.243	12	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]O[6]H)	107.8310	2.738	4	108.1399	3.243	12	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[6]O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	108.0553	1.662	4	108.1399	3.243	12	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]O[6]O)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]O[6]H)	109.4370	0.216	5	109.4370	0.047	5	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]O[6]S)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]S){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]O[6]H)	109.3595	0.018	2	109.3595	0.000	2	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	O[6](C[6]C[5,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	106.4820	0.168	2	106.4820	0.028	2	108.5788	2.126	66	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:B[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2	O[6](C[6]C[6,6]HH)(B[6]C[5]O[6])	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2{1|C<4>,3|O<2>,6|H<1>}	O[6](C[6]C[6,6]HH)(B[6]C[5]O[6]){1|Fe<10>,5|C<4>}	H(C[6]C[6,6]O[6]H)	108.9025	0.711	23	108.9025	0.505	23	109.0128	0.407	31	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:B[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2	O[6](C[6]C[6,6]HH)(B[6]O[6]Fe)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2{1|Fe<8>,3|O<2>,6|H<1>}	O[6](C[6]C[6,6]HH)(B[6]O[6]Fe){3|C<4>}	H(C[6]C[6,6]O[6]H)	109.3300	0.035	8	109.3300	0.001	8	109.0128	0.407	31	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O){1|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.5170	0.052	4	109.4868	0.007	5	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O){1|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.3660	0.000	1	109.4868	0.007	5	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[3x6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2{2|C<3>,2|H<1>,2|O<1>,3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[3x6]O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	108.7080	0.368	4	108.6958	0.102	5	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[3x6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<1>,3|C<3>}	O[6](C[6]C[6,6]HH)(C[6]C[3x6]O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	108.6470	0.000	1	108.6958	0.102	5	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.1225	0.067	2	108.1225	0.005	2	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]N[5,6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]N[5,6]O){1|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.2685	0.091	4	109.2685	0.008	4	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6]H)	108.7679	0.078	7	108.7424	0.051	11	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	108.6977	0.391	4	108.7424	0.051	11	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.2550	0.011	2	109.2550	0.000	2	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O){1|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	108.6545	0.018	2	108.9778	0.139	4	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6,6]O){2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.3010	0.006	2	108.9778	0.139	4	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]H)	108.7825	0.013	2	108.7576	0.011	8	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	108.7493	0.122	6	108.7576	0.011	8	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]N[6]C)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]N[6]C){3|C<4>}	H(C[6]C[6,6]O[6]H)	109.2195	0.012	2	109.2195	0.000	2	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]C)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6]C[6,6]HH)(C[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.1531	0.121	8	109.1531	0.015	8	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|C<2>,1|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	108.7995	0.013	2	108.6556	0.053	12	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	108.9210	0.016	2	108.6556	0.053	12	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.3350	0.028	2	108.6556	0.053	12	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){1|C<2>,1|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	108.6260	0.195	6	108.6556	0.053	12	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]C)	H(C[6]C[6,6]O[6]H)	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[6](C[6]C[6,6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.2880	0.011	2	109.2880	0.000	2	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]O[6]H)	110.2345	0.042	2	110.2345	0.002	2	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]O[6]H)	109.9805	0.043	2	109.9805	0.002	2	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|O<1>,4|C<4>,5|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	106.4700	2.041	2	106.4700	4.164	2	108.9064	0.431	71	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:B[6]-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	O[6](C[6]C[6]HH)(B[6]O[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HH)(B[6]O[6]C){3|C<4>}	H(C[6]C[6]O[6]H)	109.0858	0.087	12	109.0858	0.008	12	109.0529	0.010	29	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:B[6]-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	O[6](C[6]C[6]HH)(B[6]O[6]Cu)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|Cu<2>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HH)(B[6]O[6]Cu){3|C<4>}	H(C[6]C[6]O[6]H)	109.0986	0.102	7	109.0986	0.010	7	109.0529	0.010	29	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:B[6]-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	O[6](C[6]C[6]HH)(B[6]O[6]Pt)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|Pt<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HH)(B[6]O[6]Pt){3|C<4>}	H(C[6]C[6]O[6]H)	108.9814	0.074	10	108.9814	0.005	10	109.0529	0.010	29	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.8215	0.008	2	109.8215	0.000	2	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.7950	0.500	4	108.1142	3.752	10	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	107.6603	2.447	6	108.1142	3.752	10	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	108.5930	0.055	2	108.5930	0.003	2	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1848	0.066	4	109.1848	0.004	4	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]N[6]O){1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]O[6]H)	109.3287	0.177	18	109.3249	0.028	20	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]N[6]O){1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]O[6]H)	109.2910	0.027	2	109.3249	0.028	20	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){4|C<4>}	H(C[6]C[6]O[6]H)	108.4375	0.064	2	108.4375	0.004	2	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|Br<1>,1|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	108.7850	0.000	1	108.7850	0.000	1	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]N[6]O){1|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.0413	0.124	4	109.1951	0.034	8	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	109.3490	0.028	4	109.1951	0.034	8	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	108.8340	0.059	2	108.8320	0.003	4	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]C){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8300	0.076	2	108.8320	0.003	4	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	108.7510	0.010	2	108.4209	1.778	9	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>}	O[6](C[6]C[6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3405	0.143	4	108.4209	1.778	9	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.6650	0.000	1	108.4209	1.778	9	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	106.1295	0.009	2	108.4209	1.778	9	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	H(C[6]C[6]O[6]H)	108.9055	0.011	2	108.9055	0.000	2	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]N[6]O){1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2830	0.051	2	109.2830	0.003	2	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]FF)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|H<1>,2|F<1>}	H(C[6]C[6]O[6]H)	104.8515	4.777	2	104.8515	22.815	2	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4290	0.068	2	109.3572	0.009	12	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2100	0.007	2	109.3572	0.009	12	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3902	0.086	6	109.3572	0.009	12	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3335	0.023	2	109.3572	0.009	12	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2638	0.022	6	109.3639	0.019	10	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.5140	0.081	4	109.3639	0.019	10	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]N)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6830	0.048	2	109.6830	0.002	2	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	107.9625	0.214	2	108.8035	1.821	40	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9520	0.000	1	108.8035	1.821	40	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1731	0.218	11	108.8035	1.821	40	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.9130	0.045	2	108.8035	1.821	40	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.0935	0.011	2	108.8035	1.821	40	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3175	0.006	2	108.8035	1.821	40	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0745	1.686	12	108.8035	1.821	40	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	107.0517	1.640	6	108.8035	1.821	40	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2540	0.023	2	108.8035	1.821	40	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]Ru)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|Ru<6>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]Ru){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	108.9210	0.055	2	108.9210	0.003	2	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6393	0.026	3	109.3960	0.111	5	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0310	0.017	2	109.3960	0.111	5	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4040	0.233	2	109.1245	1.784	14	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.9495	0.053	4	109.1245	1.784	14	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5840	0.034	2	109.1245	1.784	14	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4322	0.152	4	109.1245	1.784	14	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]O){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	106.1200	1.151	2	109.1245	1.784	14	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]O[6]O){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2895	0.019	2	109.4368	0.029	5	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]O){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5350	0.144	3	109.4368	0.029	5	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	107.5555	2.489	8	107.0934	3.856	16	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	106.6312	1.258	8	107.0934	3.856	16	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]MoH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]MoH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]C){1|Mo<8>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1375	0.059	2	109.1375	0.003	2	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	109.2090	0.000	1	109.0448	0.009	5	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]O[6]H)	109.0037	0.024	4	109.0448	0.009	5	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0445	0.016	2	109.2080	0.036	4	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,3|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	109.3715	0.012	2	109.2080	0.036	4	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.4955	0.028	2	108.9946	0.143	16	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.6433	0.121	6	108.9946	0.143	16	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0945	0.025	2	108.9946	0.143	16	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2990	0.006	2	108.9946	0.143	16	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4580	0.010	2	108.9946	0.143	16	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.6800	0.010	2	108.9946	0.143	16	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]N[6]O){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	109.3015	0.049	2	109.3015	0.002	2	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5555	0.011	2	109.2293	0.073	6	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0662	0.121	4	109.2293	0.073	6	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6670	0.000	1	109.6670	0.000	1	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>}	O[6](C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6267	0.049	3	109.6267	0.002	3	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4250	0.069	4	108.4450	2.311	6	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	106.4850	0.136	2	108.4450	2.311	6	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]N)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|N<1>,3|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]N){1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.0590	0.025	2	109.0590	0.001	2	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]2)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]2){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	106.1015	0.513	2	107.5747	3.562	4	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]2)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]2){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0480	1.319	2	107.5747	3.562	4	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|W<6>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|O<3>,3|H<1>}	H(C[6]C[6]O[6]H)	113.1650	0.072	2	109.3757	8.955	6	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	107.3970	1.278	2	109.3757	8.955	6	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	107.5650	0.171	2	109.3757	8.955	6	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,1|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4580	2.929	2	109.4580	8.578	2	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|O<1>}	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3840	0.020	2	109.3367	0.004	7	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3178	0.064	5	109.3367	0.004	7	108.8529	1.791	240	108.7907	1.487	503	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[3x6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HO)	H(C[6]C[3x6]O[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]O[6]O)	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5]O[6]2)	110.3050	0.000	1	110.3050	0.000	1	110.2635	0.003	2	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5]O[6]H)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5]O[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5]O[6]2)	110.2220	0.000	1	110.2220	0.000	1	110.2635	0.003	2	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)	H(C[6]C[6,6]O[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]O)	109.0185	0.021	2	108.4828	0.401	4	108.4828	0.401	4	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H){2|C<3>,5|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]O)	107.9470	0.232	2	108.4828	0.401	4	108.4828	0.401	4	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|H<1>,3|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6]O[6]O)	109.0490	0.139	2	109.0490	0.019	2	108.8907	0.085	3	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){1|H<1>,3|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	108.5740	0.000	1	108.5740	0.000	1	108.8907	0.085	3	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]O)	109.2280	0.000	1	109.2280	0.000	1	109.4243	0.272	3	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HO){2|H<1>,5|C<4>}	H(C[6]C[6]O[6]O)	110.0160	0.000	1	110.0160	0.000	1	109.4243	0.272	3	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]O)	109.0290	0.000	1	109.0290	0.000	1	109.4243	0.272	3	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]O)	106.0375	3.357	4	106.0375	11.271	4	107.8788	6.501	10	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]O)	110.2280	0.000	1	110.2280	0.000	1	107.8788	6.501	10	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H){4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]O)	108.3240	0.000	1	108.3240	0.000	1	107.8788	6.501	10	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	109.2720	0.000	1	109.2720	0.000	1	107.8788	6.501	10	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H){1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|Br<1>,1|O<2>,4|C<3>}	H(C[6]C[6]O[6]O)	109.1800	0.000	1	109.1800	0.000	1	107.8788	6.501	10	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H){1|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	108.8170	0.148	2	108.8170	0.022	2	107.8788	6.501	10	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]O)	108.7820	0.000	1	108.7820	0.000	1	108.4111	3.322	7	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]HO){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]O)	109.0370	0.000	1	109.0370	0.000	1	108.4111	3.322	7	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H){1|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]HO){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]O)	108.6560	0.000	1	108.6560	0.000	1	108.4111	3.322	7	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[5a]C[6])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<2>,1|S<2>,3|H<1>}	H(C[6]C[6]O[6]O)	104.4310	0.000	1	104.4310	0.000	1	108.4111	3.322	7	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]HO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	108.5790	0.000	1	108.5790	0.000	1	108.4111	3.322	7	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6a]N[6])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|H<1>,1|N<2>,2|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6]HO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]O)	109.6965	0.414	2	109.6965	0.171	2	108.4111	3.322	7	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:Se-2:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(SeC[6a])(H)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]SeH)	H(C[6]C[6]O[6]Se)	C[6](C[6]C[6]HH)(O[6]C[6,6])(SeC[6a])(H){2|C<3>,2|H<1>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]SeH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]Se)	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	108.5524	3.239	31	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:2:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H)	O[6](C[6]C[6]HO)(N[6]C[6])	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H){1|H<1>,2|C<3>}	O[6](C[6]C[6]HO)(N[6]C[6]){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[3,6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OC)(H)	O[6](C[6]C[3,6,6]HO)(C[6]C[6]O)	H(C[6]C[3,6,6]O[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[3,6,6]HO)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[3,6,6]O[6]O)	109.9050	0.000	1	109.9050	0.000	1	109.3660	0.581	2	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[3,6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OH)(H)	O[6](C[6]C[3,6,6]HO)(C[6]C[6]O)	H(C[6]C[3,6,6]O[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[3,6,6]HO)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[3,6,6]O[6]O)	108.8270	0.000	1	108.8270	0.000	1	109.3660	0.581	2	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[3x6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H)	O[6](C[6]C[3x6]HO)(C[6]C[6,6]H)	H(C[6]C[3x6]O[6]O)	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>}	O[6](C[6]C[3x6]HO)(C[6]C[6,6]H){2|C<3>,2|C<4>}	H(C[6]C[3x6]O[6]O)	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]O[6]C)	107.5900	0.000	1	107.5900	0.000	1	107.5900	0.000	1	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[5,6]HO)(C[6]C[5,6]H)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[5,6]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]O[6]O)	109.4000	0.000	1	109.4000	0.000	1	109.5341	0.122	7	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]O)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	O[6](C[6]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]O)	109.0910	0.000	1	109.0910	0.000	1	109.5341	0.122	7	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]H)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H){1|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]O[6]O)	110.0580	0.000	1	110.0580	0.000	1	109.5341	0.122	7	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]O)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]O)	109.2900	0.000	1	109.2900	0.000	1	109.5341	0.122	7	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]H)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]O[6]O)	109.4825	0.138	2	109.4825	0.019	2	109.5341	0.122	7	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]O)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	O[6](C[6]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]O[6]O)	109.9350	0.000	1	109.9350	0.000	1	109.5341	0.122	7	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5]O[6]2)	110.2685	0.084	2	110.2685	0.007	2	110.2685	0.007	2	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]H)	H(C[6]C[6,6]O[6]O)	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>}	O[6](C[6]C[6,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6]O)	110.6870	0.696	2	110.6870	0.484	2	109.9565	0.873	4	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]C)	H(C[6]C[6,6]O[6]O)	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>}	O[6](C[6]C[6,6]HO)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6]O)	109.2260	0.013	2	109.2260	0.000	2	109.9565	0.873	4	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H)	O[6](C[6]C[6]CH)(C[6]O[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H){1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]O[6]O){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.3680	0.000	1	109.3680	0.000	1	109.3680	0.000	1	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<3>,3|C<4>}	H(C[6]C[6]O[6]O)	109.1350	0.000	1	109.1350	0.000	1	108.5496	3.790	12	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]C)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	O[6](C[6]C[6]HO)(C[6]C[6]C){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	108.8230	0.000	1	108.8230	0.000	1	108.5496	3.790	12	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]O)	108.7620	0.000	1	108.7620	0.000	1	108.5496	3.790	12	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]O)	109.7070	0.329	3	109.7070	0.108	3	108.5496	3.790	12	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)(C[6]C[6]C)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]O)	102.6080	0.000	1	102.6080	0.000	1	108.5496	3.790	12	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]C)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){2|C<3>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]O[6]O)	108.8300	0.657	4	108.8300	0.432	4	108.5496	3.790	12	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	108.8260	0.000	1	108.8260	0.000	1	108.5496	3.790	12	109.1356	2.030	30	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[5,6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(COO)(H)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(COO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[5,6]CH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]O[6]C)	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[5,6]-4:O[6]-2:N-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(NCH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HN)	H(C[6]C[5,6]O[6]N)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(NCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HN){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]O[6]N)	107.2710	0.000	1	107.2710	0.000	1	107.2710	0.000	1	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[5]-4:O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6,6a])(C[6]C[6]N)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]2Fe)(O[6]C[6,6a])(C[6]C[6]N)(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|Fe<10>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[5]C[6]O[6])	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(O[6]C[6,6a])(N[6]C[6]2)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]O[6])	C[6](C[6,6]C[6]2N[6])(O[6]C[6,6a])(N[6]C[6]2)(H){2|C<3>,4|C<4>,9|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]O[6])	106.2180	0.928	2	106.2180	0.861	2	105.9365	0.393	4	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(O[6]C[6,6a])(N[6]C[6]2)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]O[6])	C[6](C[6,6]C[6]2O[6])(O[6]C[6,6a])(N[6]C[6]2)(H){2|C<3>,4|C<4>,8|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6]H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[6]O[6])	105.6550	0.031	2	105.6550	0.001	2	105.9365	0.393	4	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H)	O[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]CH){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]O[6]C)	108.1040	0.000	1	108.1040	0.000	1	108.9420	1.404	2	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(COO)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(COO)(H){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	109.7800	0.000	1	109.7800	0.000	1	108.9420	1.404	2	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6a])(CNO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[6,6a])(CNO)(H){1|N<3>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.3630	0.000	1	108.3630	0.000	1	107.9657	0.057	6	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(O[6]C[6,6a])(CNO)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5a]O[6]H)(O[6]C[6,6a])(CNO)(H){1|S<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	107.7020	0.000	1	107.7020	0.000	1	107.9657	0.057	6	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CCC)(H)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.7700	0.000	1	107.7700	0.000	1	107.9657	0.057	6	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CC[6a]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CC[6a]O)(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	107.9863	0.089	3	107.9863	0.008	3	107.9657	0.057	6	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4510	0.000	1	108.4990	0.005	2	108.5811	0.588	12	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5470	0.000	1	108.4990	0.005	2	108.5811	0.588	12	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.0140	0.000	1	107.0140	0.000	1	108.5811	0.588	12	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	107.6030	0.000	1	107.9067	0.071	3	108.5811	0.588	12	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.0585	0.054	2	107.9067	0.071	3	108.5811	0.588	12	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6a]O)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6a]O)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0300	0.000	1	109.0300	0.000	1	108.5811	0.588	12	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.2310	0.000	1	109.2310	0.000	1	108.5811	0.588	12	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|S<4>,2|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.2450	0.180	4	109.2450	0.032	4	108.5811	0.588	12	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(O[6]C[6,6])(C[6]C[6]H)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6a]C[6]2)(O[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6]2O[6])	107.3960	0.000	1	107.3960	0.000	1	107.3960	0.000	1	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H){1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]N)	107.2320	0.000	1	107.2320	0.000	1	107.2320	0.000	1	107.9133	1.212	29	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H)	O[6](C[6]C[5,6,6]CH)(C[6]O[6]O)	H(C[6]C[5,6,6]O[6]C)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[5,6,6]CH)(C[6]O[6]O){1|H<1>,2|C<4>}	H(C[6]C[5,6,6]O[6]C)	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(O[6]C[6])(COO)(H)	O[6](C[6]C[6,6]CH)(C[6]C[5a,6]O)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(O[6]C[6])(COO)(H){1|O<1>,4|C<3>}	O[6](C[6]C[6,6]CH)(C[6]C[5a,6]O){1|C<4>,3|C<3>}	H(C[6]C[6,6]O[6]C)	108.6770	0.000	1	108.6770	0.000	1	107.9353	1.745	3	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]O[6]C)	108.7190	0.000	1	108.7190	0.000	1	107.9353	1.745	3	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(CN[5]O)(H)	O[6](C[6]C[6,6]CH)(C[6]N[6]C)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(CN[5]O)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[6](C[6]C[6,6]CH)(C[6]N[6]C){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6,6]O[6]C)	106.4100	0.000	1	106.4100	0.000	1	107.9353	1.745	3	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H){1|O<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.4420	0.000	1	108.4420	0.000	1	108.3451	1.121	11	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|F<1>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3260	0.218	2	108.3260	0.047	2	108.3451	1.121	11	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	105.4570	0.000	1	107.8943	4.455	3	108.3451	1.121	11	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.1130	0.000	2	107.8943	4.455	3	108.3451	1.121	11	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	107.8940	0.000	1	107.8940	0.000	1	108.3451	1.121	11	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3890	0.000	1	108.3890	0.000	1	108.3451	1.121	11	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6170	0.000	1	108.6170	0.000	1	108.3451	1.121	11	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H){1|H<1>,5|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6510	0.000	1	108.6510	0.000	1	108.3451	1.121	11	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,1|S<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<3>,4|H<1>}	H(C[6]C[6]O[6]C)	109.4680	0.000	1	109.4680	0.000	1	108.3451	1.121	11	108.3445	1.192	15	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[3]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[3]C[3]O[3]H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6]H)	H(C[6]C[3]C[6]O[6])	C[6](C[3]C[3]O[3]H)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3]C[6]O[6])	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	B[6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H)	O[6](B[6]C[6a]O[6])(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](B[6]C[6a]O[6])(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]O[6]C)	106.7707	2.207	7	106.7707	4.871	7	106.7707	4.871	7	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]O[6]C)	103.8295	0.100	2	103.8295	0.010	2	103.8295	0.010	2	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H){3|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[5,6]CH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]C)	108.8350	0.000	1	108.8350	0.000	1	108.8350	0.000	1	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[5]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5]C[5]O[5]C)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]C)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5]C[6]O[6])	108.9565	0.178	4	108.9565	0.032	4	108.9565	0.032	4	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	B[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H)	O[6](B[6]C[6a]O[6])(C[6]C[6,6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](B[6]C[6a]O[6])(C[6]C[6,6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]O[6]C)	108.0315	0.360	2	108.0315	0.130	2	108.0315	0.130	2	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]O[6]C)	108.8400	0.000	1	108.8400	0.000	1	109.0030	0.053	2	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)	H(C[6]C[6,6]O[6]C)	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[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]O[6]C)	109.1660	0.000	1	109.1660	0.000	1	109.0030	0.053	2	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]C)	108.0593	0.229	3	108.0593	0.052	3	107.1437	1.027	6	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	106.2280	0.000	3	106.2280	0.000	3	107.1437	1.027	6	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.9080	0.000	1	108.9080	0.000	1	108.9080	0.000	1	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(CH3)(H){1|O<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]O[6]C)	107.9450	0.025	2	107.9450	0.001	2	108.3817	0.300	4	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.8185	0.370	2	108.8185	0.137	2	108.3817	0.300	4	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H)	O[6](C[6]C[3x6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[3x6]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	H(C[6]C[6]O[6]C)	108.9210	0.000	1	108.9210	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]O)(C[6]C[6]CH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.3315	0.285	2	107.3315	0.081	2	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H)	O[6](C[6]N[5,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]N[5,6]O)(C[6]C[6]CH){1|H<1>,1|I<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.4695	0.039	2	109.4695	0.002	2	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[5,6]O)(C[6]C[6]CH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.8780	0.000	1	107.8780	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5a,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	O[6](C[6]C[5a,6]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.3877	1.271	3	107.3877	1.616	3	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	101.5580	0.000	1	101.5580	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.6380	1.385	4	107.6380	1.917	4	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	106.8970	0.000	1	106.8970	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H){1|O<1>,3|C<4>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.4740	0.000	1	108.4740	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	107.9070	0.578	2	107.8853	0.169	3	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	107.8420	0.000	1	107.8853	0.169	3	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	105.8985	3.770	2	105.8985	14.210	2	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H)	O[6](C[6]N[6,6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]N[6,6]O)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	109.2200	0.000	1	109.2200	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	107.4260	0.161	2	107.4260	0.026	2	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	108.3550	0.000	1	108.3550	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	108.4530	0.000	1	108.4530	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	108.3170	0.000	1	108.3170	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.8370	0.000	1	108.8370	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6]HH)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6]HH)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9511	0.303	9	108.9511	0.092	9	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9986	0.333	18	108.9986	0.111	18	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.7605	0.019	2	108.7605	0.000	2	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6,6a]N)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|N<2>,2|C<3>}	O[6](C[6]C[6,6a]N)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	107.8930	0.000	1	107.8930	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	106.8860	0.271	4	106.8860	0.073	4	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6a]N)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H){1|N<2>,2|C<3>}	O[6](C[6]C[6,6a]N)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	105.9570	0.000	1	105.9570	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]N)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	O[6](C[6]C[6,6a]N)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	108.8400	0.000	1	108.8400	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	108.7926	0.269	8	108.7926	0.072	8	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]N[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<2>,2|H<1>}	O[6](C[6]C[6a]N[6])(C[6]C[6]CH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	107.9770	0.000	1	107.9770	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.2900	0.000	1	109.2900	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,2|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.2480	0.000	1	108.2480	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|S<4>,2|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	99.0013	0.000	1	99.0013	0.000	1	108.1405	2.842	76	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6a])(C[6]C[6]HH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2Cr)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H){1|Cr<9>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O[6])	109.3210	0.000	1	109.3210	0.000	1	107.5165	6.512	2	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(C[6]C[6]2H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(C[6]C[6]2H)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2O[6])	105.7120	0.000	1	105.7120	0.000	1	107.5165	6.512	2	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	P[6]-4:O[6]-2:B-4:H-1:	B[6]-3:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(O[6]B[6])(BC[6a]3)(H)	O[6](B[6]C[6a]C[6])(C[6]P[6]BH)	H(C[6]O[6]P[6]B)	C[6](P[6]C[6a]C[6]H)(O[6]B[6])(BC[6a]3)(H){1|C<4>,2|H<1>,3|C<3>}	O[6](B[6]C[6a]C[6])(C[6]P[6]BH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]O[6]P[6]B)	107.0970	0.164	2	107.0970	0.027	2	107.0970	0.027	2	107.9624	2.908	110	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[3,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[3,6]CH)(C[6]C[6]H)	H(C[6]C[3,6]O[6]C)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H){2|H<1>,3|C<3>}	O[6](C[6]C[3,6]CH)(C[6]C[6]H){2|C<4>,2|H<1>}	H(C[6]C[3,6]O[6]C)	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]S[5,6]O[6])(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6,6]CH)(C[6]C[6]O)	H(C[6]C[5,6,6]O[6]C)	C[6](C[5,6,6]C[5,5,6]S[5,6]O[6])(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O[6](C[6]C[5,6,6]CH)(C[6]C[6]O){1|H<1>,1|O<2>,1|S<2>,2|C<4>}	H(C[6]C[5,6,6]O[6]C)	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6,6a]C[5]H)(O[6]C[6])(CH3)(H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6,6a]O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]O[6]C)	107.8320	0.000	1	107.8320	0.000	1	107.5830	1.013	8	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,5|C<4>}	O[6](C[6]C[5,6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]C)	106.1575	0.288	2	106.1575	0.083	2	107.5830	1.013	8	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]O[6]C)	107.1460	0.000	1	107.5245	0.287	2	107.5830	1.013	8	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]C)	107.9030	0.000	1	107.5245	0.287	2	107.5830	1.013	8	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[5,6]O[6]C)	108.5130	0.000	1	108.4893	0.063	3	107.5830	1.013	8	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]O[6]C)	108.7280	0.000	1	108.4893	0.063	3	107.5830	1.013	8	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,3|C<4>}	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]O[6]C)	108.2270	0.000	1	108.4893	0.063	3	107.5830	1.013	8	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6,6]O)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6,6]O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]C)	107.5570	0.000	1	107.5570	0.000	1	108.0848	1.398	10	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6,6]CH)(C[6]C[5a,6]O)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[5a,6]O){2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]C)	106.0480	0.000	1	106.0480	0.000	1	108.0848	1.398	10	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]C)	108.3360	0.000	1	108.3360	0.000	1	108.0848	1.398	10	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]H)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6]C)	108.9916	0.249	5	108.9916	0.062	5	108.0848	1.398	10	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]C)	107.7710	0.000	1	107.7710	0.000	1	108.0848	1.398	10	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6,6]O)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6,6]O){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]C)	106.1780	0.000	1	106.1780	0.000	1	108.0848	1.398	10	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.7340	0.000	1	107.7340	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.0640	0.031	2	108.2453	0.099	3	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.6080	0.000	1	108.2453	0.099	3	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	106.4450	0.000	1	106.4450	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	105.2090	1.922	4	105.2090	3.693	4	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]O[6]O){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	107.0140	0.000	1	107.0140	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H)	O[6](C[6]C[6]CH)(C[6]O[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]O[6]O){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	106.5400	0.000	1	106.5400	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	105.8870	0.000	1	107.8073	1.952	13	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	107.1805	0.381	2	107.8073	1.952	13	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.9453	0.863	4	107.8073	1.952	13	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.0807	2.033	3	107.8073	1.952	13	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	109.0010	0.000	1	107.8073	1.952	13	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.6115	0.202	2	107.8073	1.952	13	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	114.1240	0.355	2	114.1240	0.126	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]C){1|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	107.0790	0.000	1	107.0790	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	110.8420	0.000	1	109.7870	2.226	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.7320	0.000	1	109.7870	2.226	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	107.4440	0.000	1	107.4440	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,2|F<1>}	H(C[6]C[6]O[6]C)	106.3520	0.000	1	106.3520	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.4670	0.000	1	107.4670	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	107.4500	0.068	2	107.4500	0.005	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.1130	0.181	2	107.1130	0.033	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6700	0.000	1	108.6700	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4270	0.000	1	108.5550	0.033	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.6830	0.000	1	108.5550	0.033	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.5330	0.000	1	108.5330	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	106.5090	0.000	1	106.5090	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.2720	0.000	1	108.2670	0.582	10	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.6817	0.246	6	108.2670	0.582	10	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.8845	0.054	2	108.2670	0.582	10	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.5390	0.000	1	108.2670	0.582	10	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H)	O[6](C[6]C[6]CH)(C[6]N[6]C)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O[6](C[6]C[6]CH)(C[6]N[6]C){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.7540	0.000	1	108.7540	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.7380	0.000	1	108.7380	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.8030	0.000	1	108.9382	0.031	5	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.9720	0.185	4	108.9382	0.031	5	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]O[6]C)	110.0200	0.000	1	109.2635	1.145	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|N<3>,1|O<1>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]N[6]O){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5070	0.000	1	109.2635	1.145	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	103.8460	0.000	1	107.4692	4.331	5	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.8260	0.000	1	107.4692	4.331	5	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.2247	0.567	3	107.4692	4.331	5	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.2870	0.000	1	106.2870	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.9630	0.000	1	108.9630	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.6770	0.000	1	109.0795	0.324	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	109.4820	0.000	1	109.0795	0.324	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|N<3>,2|O<1>}	O[6](C[6]C[6]CH)(C[6]N[6]O){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	106.9230	0.000	1	106.9230	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.4970	0.000	1	108.4970	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.0180	0.000	1	108.0180	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	109.5320	0.000	1	109.5320	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,1|I<1>,2|H<1>}	H(C[6]C[6]O[6]C)	113.9360	0.853	2	113.9360	0.727	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]O[6]C)	111.3640	0.000	1	111.3640	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.0670	0.000	1	108.0670	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3960	0.000	1	108.3960	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]O[6]O)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.2275	1.433	2	107.2275	2.054	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.9800	0.000	1	108.9800	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.5190	0.000	1	108.4979	0.269	9	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.7625	0.517	2	108.4979	0.269	9	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.7140	0.000	1	108.4979	0.269	9	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.4030	0.000	1	108.4979	0.269	9	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	107.7725	0.228	2	108.4979	0.269	9	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.8875	0.527	2	108.4979	0.269	9	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3650	0.000	1	107.7085	0.862	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	107.0520	0.000	1	107.7085	0.862	2	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3570	0.000	1	108.3570	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]P)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|H<1>,1|P<4>,4|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]P){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0490	0.000	1	109.0490	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0220	0.000	1	109.0220	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|C<3>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9517	0.376	3	108.9517	0.142	3	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|N<2>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]N[6]O){1|S<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.9320	0.000	1	109.9320	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H){1|C<4>,3|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]O[6]C)	106.8110	0.000	1	106.8110	0.000	1	108.2908	3.081	100	108.2289	2.762	120	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)	H(C[6]C[5,6,6]C[6a]O[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6,6]C[6a]O[6])	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|Br<1>,1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.4610	0.000	1	108.4610	0.000	1	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	107.4327	0.309	4	107.4370	0.072	5	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	107.4540	0.000	1	107.4370	0.072	5	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	106.1135	0.537	2	106.1135	0.288	2	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.3970	0.000	1	108.4651	0.500	7	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.4765	0.774	6	108.4651	0.500	7	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	109.0470	0.000	1	109.0470	0.000	1	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]O[6])	109.0700	0.000	1	109.0700	0.000	1	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5,6]C[6a]O[6])	105.9430	0.267	2	106.4977	0.959	3	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	107.6070	0.000	1	106.4977	0.959	3	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.3920	0.000	1	108.3920	0.000	1	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.7530	0.000	1	108.7130	0.003	2	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){2|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.6730	0.000	1	108.7130	0.003	2	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.3590	0.000	1	108.3590	0.000	1	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.1540	0.000	1	108.1540	0.000	1	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|O<1>,3|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5,6]C[6a]O[6])	106.5360	0.000	1	106.5360	0.000	1	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[5,6]C[6a]O[6])	106.5337	0.061	3	106.5337	0.004	3	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.7290	0.000	1	108.7290	0.000	1	107.7312	1.146	30	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.0250	0.000	1	107.7724	0.170	8	107.8950	0.284	9	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.8720	0.000	1	107.7724	0.170	8	107.8950	0.284	9	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.0955	0.045	2	107.7724	0.170	8	107.8950	0.284	9	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.2170	0.000	1	107.7724	0.170	8	107.8950	0.284	9	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,3|H<1>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|C<4>,1|N<2>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.2880	0.000	1	107.7724	0.170	8	107.8950	0.284	9	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|C<2>,1|N<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.3730	0.000	1	107.7724	0.170	8	107.8950	0.284	9	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|N<2>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.2130	0.000	1	107.7724	0.170	8	107.8950	0.284	9	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C[6a]H){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.8760	0.000	1	108.8760	0.000	1	107.8950	0.284	9	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.2230	0.000	1	108.2230	0.000	1	108.0461	1.048	17	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	104.6010	0.000	1	107.1865	2.992	4	108.0461	1.048	17	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){1|C<2>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.9525	0.081	2	107.1865	2.992	4	108.0461	1.048	17	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.2400	0.000	1	107.1865	2.992	4	108.0461	1.048	17	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H){2|C<4>,6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.7900	0.000	1	108.3023	0.128	4	108.0461	1.048	17	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H){1|C<2>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.3530	0.000	1	108.3023	0.128	4	108.0461	1.048	17	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,5|C<3>,5|H<1>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a]H){2|C<4>,6|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.0330	0.004	2	108.3023	0.128	4	108.0461	1.048	17	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.4440	0.468	2	108.2006	0.639	5	108.0461	1.048	17	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.1970	0.000	1	108.2006	0.639	5	108.0461	1.048	17	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,5|C<3>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.9590	1.450	2	108.2006	0.639	5	108.0461	1.048	17	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	109.1490	0.000	1	109.1490	0.000	1	108.0461	1.048	17	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.2270	0.444	2	108.2270	0.197	2	108.0461	1.048	17	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6,6a])(H){4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|Se<2>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.0740	0.000	1	109.0740	0.000	1	108.6518	0.604	4	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]F)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]F)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|F<1>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	107.7720	0.000	1	107.7720	0.000	1	108.6518	0.604	4	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,7|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.4950	0.000	1	109.4950	0.000	1	108.6518	0.604	4	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	3:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2660	0.000	1	108.2660	0.000	1	108.6518	0.604	4	107.9214	0.963	62	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)	H(C[6]C[5,6]C[5a]O[6])	C[6](C[5,6]C[5,6]C[5]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	O[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[5a]O[6])	106.9310	0.000	1	106.9310	0.000	1	106.9310	0.000	1	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]O)	H(C[6]C[5,6]C[6]O[6])	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	O[6](C[6]C[5,6]C[6]H)(C[6]C[5,6]O){3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]O[6])	107.4395	0.018	2	107.4395	0.000	2	107.4395	0.000	2	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){5|H<1>,6|C<3>}	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.0130	0.000	1	108.0130	0.000	1	107.7485	0.140	2	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]){1|I<1>,2|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]O[6])	107.4840	0.000	1	107.4840	0.000	1	107.7485	0.140	2	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	108.5456	0.203	8	109.6342	4.457	13	108.3713	2.600	46	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	108.8510	0.000	1	109.6342	4.457	13	108.3713	2.600	46	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	112.0070	2.619	4	109.6342	4.457	13	108.3713	2.600	46	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]O)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]O){3|C<3>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	108.2320	0.000	1	108.2320	0.000	1	108.3713	2.600	46	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	107.8560	0.120	2	107.8560	0.014	2	108.3713	2.600	46	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	107.4385	0.570	4	107.8631	1.189	30	108.3713	2.600	46	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	107.6837	0.119	3	107.8631	1.189	30	108.3713	2.600	46	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[5a]O[6])	108.2161	0.102	7	107.8631	1.189	30	108.3713	2.600	46	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[5a]O[6])	107.2796	2.636	5	107.8631	1.189	30	108.3713	2.600	46	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[5a]O[6])	108.2871	0.251	8	107.8631	1.189	30	108.3713	2.600	46	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	107.7790	0.209	2	107.8631	1.189	30	108.3713	2.600	46	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	107.3220	0.000	1	107.8631	1.189	30	108.3713	2.600	46	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6]){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.7680	0.000	1	107.7680	0.000	1	108.8207	0.989	3	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]N[6])	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]N[6]){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]O[6])	109.3470	0.563	2	109.3470	0.317	2	108.8207	0.989	3	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	105.0930	0.000	1	105.0930	0.000	1	105.0930	0.000	1	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]N[5]H)(C[6]C[6]C)	H(C[6]C[6,6]N[5]O[6])	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	O[6](C[6]C[6,6]N[5]H)(C[6]C[6]C){2|H<1>,4|C<4>}	H(C[6]C[6,6]N[5]O[6])	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[5,6]O)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[5,6]O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]O[6])	108.9600	0.000	1	108.9600	0.000	1	108.7723	0.348	18	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a]C[6]O[6])	108.7745	0.139	2	108.7613	0.367	17	108.7723	0.348	18	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a]C[6]O[6])	108.5720	0.000	1	108.7613	0.367	17	108.7723	0.348	18	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a]C[6]O[6])	108.9206	0.857	7	108.7613	0.367	17	108.7723	0.348	18	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]O[6])	108.8120	0.000	1	108.7613	0.367	17	108.7723	0.348	18	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]O[6])	108.5203	0.550	4	108.7613	0.367	17	108.7723	0.348	18	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a]C[6]O[6])	108.7420	0.305	2	108.7613	0.367	17	108.7723	0.348	18	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	105.2960	0.000	1	105.2960	0.000	1	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6660	0.000	1	108.6660	0.000	1	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]C)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]C){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	106.9900	0.000	1	106.9900	0.000	1	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|Br<1>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6700	0.000	1	108.6700	0.000	1	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	106.9408	0.241	5	106.9408	0.058	5	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5213	0.548	3	108.5213	0.301	3	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|Cl<1>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.4460	0.000	1	109.4460	0.000	1	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	106.7440	0.000	1	106.7440	0.000	1	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.5290	0.000	1	109.5290	0.000	1	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9155	0.330	2	108.9155	0.109	2	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6425	1.047	2	108.6425	1.097	2	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.1030	0.000	1	108.9635	0.039	2	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,3|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8240	0.000	1	108.9635	0.039	2	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	111.8330	0.000	1	111.8330	0.000	1	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	107.8560	0.000	1	107.8560	0.000	1	108.1887	1.908	23	108.3394	1.945	97	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	3:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]N)(C[5]C[5]2Fe)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)	H(C[6]C[5,6]C[5]O[6])	C[6](C[5,6]C[5,5]C[5,6]N)(C[5]C[5]2Fe)(O[6]C[6,6a])(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H){1|Fe<10>,1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[5]O[6])	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	107.9424	0.777	9	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	3:4:	4:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6]C[5,6]O[6]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]O[6])	C[6](C[5,6]C[5,5]C[5,6]N)(C[6]C[5,6]O[6]H)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]O[6])	107.3930	0.000	1	107.3930	0.000	1	107.3930	0.000	1	107.9424	0.777	9	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	3:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[5]C[6]H)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[5]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5]C[6]O[6])	106.9620	0.000	1	106.9620	0.000	1	108.0970	2.576	2	107.9424	0.777	9	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	3:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]BrN)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]H)(C[6]C[6]BrN)(O[6]C[6,6a])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5]C[6]O[6])	109.2320	0.000	1	109.2320	0.000	1	108.0970	2.576	2	107.9424	0.777	9	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	3:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9335	0.023	2	108.9335	0.001	2	108.9335	0.001	2	107.9424	0.777	9	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H)	O[6](C[6]C[4,6]O)(C[6]C[6]2H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,7|C<4>}	O[6](C[6]C[4,6]O)(C[6]C[6]2H){3|H<1>,5|C<4>}	H(C[6]C[6]2O[6])	107.2937	0.093	3	107.2937	0.009	3	107.2937	0.009	3	107.9424	0.777	9	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6]H)(C[6]C[6,6]O)	H(C[6]C[5,6]C[6]O[6])	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	O[6](C[6]C[5,6]C[6]H)(C[6]C[6,6]O){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]O[6])	106.5290	0.000	1	106.5290	0.000	1	106.5290	0.000	1	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]O)	H(C[6]C[5]C[6]O[6])	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[6](C[6]C[5]C[6]H)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]O[6])	107.5800	0.000	1	107.5800	0.000	1	108.1185	0.580	2	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]O)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	H(C[6]C[5]C[6]O[6])	108.6570	0.000	1	108.6570	0.000	1	108.1185	0.580	2	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[5]N[5]S[5]H)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5]H)(C[6]N[6]C)	H(C[6]C[6,6]C[5]O[6])	C[6](C[6,6]C[6,6]N[6]H)(C[5]N[5]S[5]H)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	O[6](C[6]C[6,6]C[5]H)(C[6]N[6]C){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6,6]C[5]O[6])	106.4030	0.000	1	106.4030	0.000	1	106.4030	0.000	1	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.1550	0.000	1	107.1550	0.000	1	108.0604	0.292	7	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	107.7160	0.000	1	107.7160	0.000	1	108.0604	0.292	7	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4560	0.000	1	108.4560	0.000	1	108.0604	0.292	7	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.8640	0.000	1	108.8640	0.000	1	108.0604	0.292	7	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.0300	0.000	1	108.0300	0.000	1	108.0604	0.292	7	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H){1|O<1>,3|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]O[6]C)	108.0510	0.000	1	108.0510	0.000	1	108.0604	0.292	7	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>}	O[6](C[6]C[6]CH)(C[6]C[6]C){1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.1510	0.000	1	108.1510	0.000	1	108.0604	0.292	7	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6,6]O)	H(C[6]C[5]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5]C[5]2O)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>,3|O<2>}	O[6](C[6]C[5]C[6]H)(C[6]C[6,6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5]C[6]O[6])	108.4130	0.000	1	108.4130	0.000	1	108.4130	0.000	1	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]O)	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O[6])	106.8435	0.029	2	106.8435	0.001	2	107.4168	1.816	6	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]O)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6]C[6]2H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O[6])	107.7270	0.000	1	107.7270	0.000	1	107.4168	1.816	6	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]2S)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]N[6]O)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2S)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	O[6](C[6]C[6]2H)(C[6]N[6]O){1|S<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2O[6])	105.3870	0.000	1	105.3870	0.000	1	107.4168	1.816	6	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP2	C[6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]2C)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]HH)(C[6]S[6]2C)(O[6]C[6])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	O[6](C[6]C[6]2H)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<2>,1|S<3>,3|H<1>}	H(C[6]C[6]2O[6])	108.8500	0.311	2	108.8500	0.097	2	107.4168	1.816	6	107.6948	0.983	18	108.6667	1.893	3401	108.6635	2.003	3729
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H){2|H<1>,4|C<4>}	H(C[3x6]O[6,6]3)	107.6720	0.000	1	107.6482	0.002	5	107.5904	0.614	121	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]O[6,6]3)	107.6423	0.046	4	107.6482	0.002	5	107.5904	0.614	121	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,4|H<1>}	H(C[3x6]O[6,6]3)	107.6340	0.000	1	107.6340	0.000	1	107.5904	0.614	121	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2D)(C[3x6]O[6,6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|D<1>}	O[6,6](C[3x6]C[6,6]2D)(C[3x6]O[6,6]2H){2|C<4>,2|D<1>,2|O<2>}	H(C[3x6]O[6,6]3)	107.5293	0.137	3	107.5293	0.019	3	107.5904	0.614	121	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	H(C[3x6]O[6,6]3)	107.6210	0.000	1	107.5890	0.664	112	107.5904	0.614	121	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]O[6,6]3)	107.6310	0.044	3	107.5890	0.664	112	107.5904	0.614	121	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]O[6,6]3)	107.5540	0.000	1	107.5890	0.664	112	107.5904	0.614	121	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<4>,1|O<3>,2|C<4>,2|H<1>}	H(C[3x6]O[6,6]3)	107.5075	0.047	2	107.5890	0.664	112	107.5904	0.614	121	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|N<3>}	H(C[3x6]O[6,6]3)	107.6850	0.000	1	107.5890	0.664	112	107.5904	0.614	121	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|N<4>}	H(C[3x6]O[6,6]3)	107.5770	0.000	1	107.5890	0.664	112	107.5904	0.614	121	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])3(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]O[6,6]3)	107.5886	0.850	103	107.5890	0.664	112	107.5904	0.614	121	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H)	O[6,6](C[3x6]O[6,6]2H)(C[4x6]C[3x6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H){3|C<4>,3|H<1>}	O[6,6](C[3x6]O[6,6]2H)(C[4x6]C[3x6]2H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]O[6,6]3)	107.6895	0.001	2	107.6895	0.000	2	107.6895	0.000	2	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	2:2:2:1:	4:4:	4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2H)	H(C[3x6]O[6,6]3)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2H){1|C<3>,4|C<4>,4|H<1>}	H(C[3x6]O[6,6]3)	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	107.5925	0.600	124	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:2:2:1:	4:4:	4:	C[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C)(O[6,6]C[5,6,6])(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HO)	H(C[3x6]C[6,6]O[6,6]2)	C[3x6](C[6,6]C[5,6,6]C)(O[6,6]C[5,6,6])(O[6,6]C[6,6])(H){1|H<1>,2|O<2>,4|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HO){1|C<3>,1|H<1>,2|C<4>}	H(C[3x6]C[6,6]O[6,6]2)	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1	108.5924	0.068	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:2:2:1:	4:4:	4:	C[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[5,6,6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]C)(O[6,6]C[5,6,6])(O[6,6]C[6,6])(H)	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]O[6,6]H)	H(C[3x6]C[6,6]O[6,6]2)	C[3x6](C[6,6]C[5,6,6]C)(O[6,6]C[5,6,6])(O[6,6]C[6,6])(H){1|H<1>,2|O<2>,4|C<4>}	O[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]O[6,6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]O[6,6]2)	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	108.5924	0.068	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:2:2:1:	4:4:	4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[3,3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H)	H(C[3x6]N[6,6]O[6,6]2)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[3,3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[3x6]N[6,6]O[6,6]2)	108.3270	0.000	1	108.3270	0.000	1	108.5353	0.057	7	108.5924	0.068	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:2:2:1:	4:4:	4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H)	H(C[3x6]N[6,6]O[6,6]2)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[3x6]N[6,6]O[6,6]2)	108.5495	0.196	2	108.5495	0.038	2	108.5353	0.057	7	108.5924	0.068	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:2:2:1:	4:4:	4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C)	H(C[3x6]N[6,6]O[6,6]2)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]N[6,6]O[6,6]2)	108.8370	0.000	1	108.5930	0.119	2	108.5353	0.057	7	108.5924	0.068	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:2:2:1:	4:4:	4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C)	H(C[3x6]N[6,6]O[6,6]2)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]N[6,6]O[6,6]2)	108.3490	0.000	1	108.5930	0.119	2	108.5353	0.057	7	108.5924	0.068	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:2:2:1:	4:4:	4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H)	H(C[3x6]N[6,6]O[6,6]2)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]N[6,6]O[6,6]2)	108.8270	0.000	1	108.5675	0.135	2	108.5353	0.057	7	108.5924	0.068	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:2:2:1:	4:4:	4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H)	H(C[3x6]N[6,6]O[6,6]2)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]N[6,6]O[6,6]2)	108.3080	0.000	1	108.5675	0.135	2	108.5353	0.057	7	108.5924	0.068	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:2:2:1:	4:4:	4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	O[6,6](C[4x6]C[3,3x6]C[6,6]C[6])(C[3x6]N[6,6]O[6,6]H)	H(C[3x6]N[6,6]O[6,6]2)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3,3x6]C[6,6]C[6])(C[3x6]N[6,6]O[6,6]H){1|C<3>,4|H<1>,5|C<4>}	H(C[3x6]N[6,6]O[6,6]2)	108.3240	0.000	1	108.3240	0.000	1	108.4847	0.042	3	108.5924	0.068	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:2:2:1:	4:4:	4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]N[6,6]O[6,6]H)	H(C[3x6]N[6,6]O[6,6]2)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]N[6,6]O[6,6]H){1|C<3>,4|H<1>,5|C<4>}	H(C[3x6]N[6,6]O[6,6]2)	108.5650	0.214	2	108.5650	0.046	2	108.4847	0.042	3	108.5924	0.068	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:3:2:1:	4:3:	4:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	111.1630	0.000	1	111.1630	0.000	1	111.2333	0.115	3	111.2333	0.115	3	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:3:2:1:	4:3:	4:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]N)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	111.6020	0.000	1	111.6020	0.000	1	111.2333	0.115	3	111.2333	0.115	3	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:3:2:1:	4:3:	4:	C[6,6]-3:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.9350	0.000	1	110.9350	0.000	1	111.2333	0.115	3	111.2333	0.115	3	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:4:2:1:	4:2:	4:	C[5,6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H){1|O<1>,1|O<2>,4|C<4>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6]){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	110.4590	0.354	2	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:4:2:1:	4:2:	4:	C[6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[5,3x6])	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[5,6,6]H)(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(H){1|C<3>,1|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[5,3x6]){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.0380	0.000	1	110.0380	0.000	1	110.0380	0.000	1	110.4590	0.354	2	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:4:2:1:	4:4:	4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]CH)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]CH){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.5400	0.000	1	110.5400	0.000	1	110.6845	0.042	2	110.2033	0.160	6	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:4:2:1:	4:4:	4:	C[3x6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]HO)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[3x6]C[6])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(H){2|O<2>,3|H<1>,4|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]HO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.8290	0.000	1	110.8290	0.000	1	110.6845	0.042	2	110.2033	0.160	6	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:4:2:1:	4:4:	4:	C[6,6,6a]-3:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	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[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[4x6]C[6]O)	H(C[3x6]C[6,6,6a]C[3x6]O[6,6])	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[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[4x6]C[6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]O[6,6])	109.9580	0.129	2	109.9580	0.017	2	109.9580	0.017	2	110.2033	0.160	6	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	3:4:2:1:	4:4:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]HH)	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	109.9675	0.221	2	109.9675	0.049	2	109.9675	0.049	2	110.2033	0.160	6	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[3,6,6]-4:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(O[6,6]C[6,6])2(H)	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]FH)	H(C[3x6]C[3,6,6]O[6,6]2)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(O[6,6]C[6,6])2(H){1|C<4>,1|F<1>,4|H<1>}	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]FH){1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[3,6,6]O[6,6]2)	108.2020	0.000	1	108.2020	0.000	1	107.2435	1.837	2	108.9738	3.713	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[3,6,6]-4:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(O[6,6]C[6,6])2(H)	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]HH)	H(C[3x6]C[3,6,6]O[6,6]2)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(O[6,6]C[6,6])2(H){1|C<4>,1|F<1>,4|H<1>}	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[3,6,6]O[6,6]2)	106.2850	0.000	1	106.2850	0.000	1	107.2435	1.837	2	108.9738	3.713	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[4x6]O[6]H)	H(C[3x6]C[4x6]O[6,6]O[6])	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[4x6]O[6]H){1|H<1>,2|C<3>,4|C<4>}	H(C[3x6]C[4x6]O[6,6]O[6])	108.2010	0.071	4	108.2010	0.005	4	108.2010	0.005	4	108.9738	3.713	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[5,6,6]-4:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H)	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]FH)	H(C[3x6]C[5,6,6]O[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H){1|F<1>,1|O<2>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]FH){1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]O[6,6]2)	110.9867	2.924	3	110.9867	8.549	3	110.0658	4.691	6	108.9738	3.713	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[5,6,6]-4:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H)	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)	H(C[3x6]C[5,6,6]O[6,6]2)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(O[6,6]C[6,6])2(H){1|F<1>,1|O<2>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]O[6,6]2)	109.1450	0.797	3	109.1450	0.634	3	110.0658	4.691	6	108.9738	3.713	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:2:3:1:	4:4:	4:	C[6,6]-4:O[6,6]-2:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(O[6,6]C[5,6,6])(C[6,6]C[6,6]H)(H)	O[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[5,3x6]HH)(O[6,6]C[5,6,6])(C[6,6]C[6,6]H)(H){1|N<3>,2|C<4>,3|H<1>}	O[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[3x6]C[6,6]2O[6,6])	105.0810	0.000	1	105.0810	0.000	1	105.0810	0.000	1	105.0810	0.000	1	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6,6]-2:C[6,6]-4:H-1:	C[5,5,6,6]-4:C[3x6]-4:	C[3x6]-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)	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6]2O[6,6])	108.7925	0.301	2	108.7925	0.090	2	108.7925	0.090	2	108.7925	0.090	2	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	N[6,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,1|C<5>,3|H<1>}	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,1|C<4>,4|B<6>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.0570	0.000	1	110.0570	0.000	1	110.0448	0.146	14	110.0448	0.146	14	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	N[6,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.2740	0.000	1	110.1472	0.005	5	110.0448	0.146	14	110.0448	0.146	14	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	N[6,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<4>,2|C<3>,2|H<1>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.1155	0.008	4	110.1472	0.005	5	110.0448	0.146	14	110.0448	0.146	14	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	3:4:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	N[6,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H)	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(O[6,6]N[6,6])(H){1|C<3>,2|H<1>,3|C<4>}	O[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.9792	0.505	8	109.9792	0.256	8	110.0448	0.146	14	110.0448	0.146	14	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:2:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[5,3x6])	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[5,3x6]){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.7820	0.043	6	109.7820	0.002	6	108.7705	7.754	13	108.7705	7.754	13	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:2:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]2H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]2H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|O<2>,2|H<1>,4|C<4>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.0240	0.407	2	110.0240	0.166	2	108.7705	7.754	13	108.7705	7.754	13	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:2:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<4>,1|N<3>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	105.9480	5.708	2	105.9480	32.579	2	108.7705	7.754	13	108.7705	7.754	13	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:2:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6])	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[3x6]H)(O[6,6]O[6,6])(H){2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[4x6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.0410	0.000	1	110.0410	0.000	1	108.7705	7.754	13	108.7705	7.754	13	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:2:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(H){1|C<4>,2|C<3>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	106.6700	4.964	2	106.6700	24.640	2	108.7705	7.754	13	108.7705	7.754	13	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(H){1|C<3>,1|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	108.9236	3.241	5	108.9236	10.502	5	108.9236	10.502	5	108.9236	10.502	5	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:4:	4:	C[3,6,6]-4:N[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]HH)	H(C[3x6]C[3,6,6]N[6,6]O[6,6])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H){4|C<4>,5|H<1>}	O[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]HH){1|C<3>,1|O<2>,4|C<4>}	H(C[3x6]C[3,6,6]N[6,6]O[6,6])	109.7860	0.058	2	109.7860	0.003	2	109.7860	0.003	2	109.6371	1.614	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[3x6]C[6])(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[3x6]2H)	H(C[3x6]C[3x6]2O[6,6])	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[3x6]C[6])(O[6,6]C[3x6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	O[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[3x6]2H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[3x6]2O[6,6])	110.4100	0.000	1	110.4100	0.000	1	110.4100	0.000	1	109.6371	1.614	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:4:	4:	C[4x6]-4:C[6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6a]C[5,6,6a]C[6a])(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6a]C[4x6]H)	H(C[3x6]C[6,6a]C[4x6]O[6,6])	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6a]C[5,6,6a]C[6a])(O[6,6]C[3x6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6a]C[4x6]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[3x6]C[6,6a]C[4x6]O[6,6])	106.4850	0.000	1	106.4850	0.000	1	106.4850	0.000	1	109.6371	1.614	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:4:	4:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[4x6]O[6]H)	H(C[3x6]C[6,6,6a]C[5,3x6]O[6,6])	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[4x6]O[6]H){1|H<1>,2|C<3>,4|C<4>}	H(C[3x6]C[6,6,6a]C[5,3x6]O[6,6])	110.2215	0.127	4	110.2215	0.016	4	110.2215	0.016	4	109.6371	1.614	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:4:	4:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]HH)	H(C[3x6]C[6,6,6a]C[5,3x6]O[6,6])	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6,6a]C[5,3x6]O[6,6])	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	109.6371	1.614	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH){2|C<3>,4|C<4>}	H(C[3x6]C[6,6]2O[6,6])	107.5120	0.000	1	107.5120	0.000	1	109.4127	2.719	3	109.6371	1.614	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.4630	0.000	1	110.4630	0.000	1	109.4127	2.719	3	109.6371	1.614	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]O)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]O)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	110.2630	0.000	1	110.2630	0.000	1	109.4127	2.719	3	109.6371	1.614	12	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-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)	O[6,6](C[3x6]C[3,3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H)	H(C[3x6]C[3,3x6]C[6,6]O[6,6])	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[6,6](C[3x6]C[3,3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[3x6]C[3,3x6]C[6,6]O[6,6])	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)	H(C[3x6]C[3,6,6]C[6,6]O[6,6])	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(O[6,6]C[6,6])(H){1|C<4>,3|H<1>}	O[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH){1|C<4>,1|F<1>,2|O<2>,3|H<1>}	H(C[3x6]C[3,6,6]C[6,6]O[6,6])	106.8757	0.614	3	106.8757	0.377	3	106.4865	2.141	6	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]FH)	H(C[3x6]C[3,6,6]C[6,6]O[6,6])	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|F<1>,2|H<1>}	O[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]FH){1|C<4>,2|O<2>,4|H<1>}	H(C[3x6]C[3,6,6]C[6,6]O[6,6])	106.0973	2.126	3	106.0973	4.520	3	106.4865	2.141	6	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[3x6]O[6,6]C)(C[3x6]C[3x6]2H)	H(C[3x6]C[3x6]2O[6,6])	C[3x6](C[3x6]C[4x6]C[6]H)2(O[6,6]C[3x6])(H){2|S<2>,3|C<4>,3|O<2>,4|H<1>}	O[6,6](C[3x6]C[3x6]O[6,6]C)(C[3x6]C[3x6]2H){3|H<1>,5|C<4>}	H(C[3x6]C[3x6]2O[6,6])	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|H<1>,2|O<2>,5|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C){1|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.5690	0.000	1	109.3380	0.034	4	109.6931	0.153	20	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|H<1>,2|O<2>,5|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C){2|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.2610	0.122	3	109.3380	0.034	4	109.6931	0.153	20	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	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[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]N[6,6]O[6,6]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.0410	0.027	2	109.0410	0.001	2	109.6931	0.153	20	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|O<2>,3|C<4>,4|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H){2|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.4460	0.000	1	109.4460	0.000	1	109.6931	0.153	20	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a])	H(C[3x6]C[3x6]C[6,6]O[6,6])	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[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.8080	0.018	2	109.9792	0.048	9	109.6931	0.153	20	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a])	H(C[3x6]C[3x6]C[6,6]O[6,6])	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[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.9130	0.148	2	109.9792	0.048	9	109.6931	0.153	20	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a])	H(C[3x6]C[3x6]C[6,6]O[6,6])	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[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.8520	0.161	2	109.9792	0.048	9	109.6931	0.153	20	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a])	H(C[3x6]C[3x6]C[6,6]O[6,6])	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[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.2223	0.174	3	109.9792	0.048	9	109.6931	0.153	20	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	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[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	110.0295	0.033	2	109.7922	0.076	4	109.6931	0.153	20	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4x6]O[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H)	H(C[3x6]C[3x6]C[6,6]O[6,6])	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[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[6,6]O[6,6])	109.5550	0.040	2	109.7922	0.076	4	109.6931	0.153	20	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[4x6]-4:C[5,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6a]C[5]H)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[5,6]H)	H(C[3x6]C[4x6]C[5,6]O[6,6])	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6a]C[5]H)(O[6,6]C[3x6])(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[5,6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[5,6]O[6,6])	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[4x6]-4:C[6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6,6]HH)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[3x6]2H)	H(C[3x6]C[4x6]O[6,6]C[6])	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6]C[6,6]HH)(O[6,6]C[3x6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[3x6]2H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[4x6]O[6,6]C[6])	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[4x6]HO)	H(C[3x6]C[5,3x6]C[6,6]O[6,6])	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[4x6]HO){1|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[5,3x6]C[6,6]O[6,6])	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[5,6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]HO)	H(C[3x6]C[5,6,6]2O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5]O)(O[6,6]C[6,6])(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	O[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]HO){1|H<1>,1|O<1>,5|C<4>}	H(C[3x6]C[5,6,6]2O[6,6])	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[5,6]H)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[5,6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.0350	0.000	1	109.0350	0.000	1	109.3055	0.146	2	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6a]C[4x6]H)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]O)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6a]C[4x6]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.5760	0.000	1	109.5760	0.000	1	109.3055	0.146	2	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[5,6,6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,5,6,6]O[5]H)(C[6,6]O[6,6]HH)(O[6,6]C[5,6,6])(H)	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	C[3x6](C[5,6,6]C[5,5,6,6]O[5]H)(C[6,6]O[6,6]HH)(O[6,6]C[5,6,6])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H){2|C<4>,3|O<2>,5|H<1>}	H(C[3x6]C[5,6,6]C[6,6]O[6,6])	109.9730	0.000	1	109.9730	0.000	1	109.9730	0.000	1	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)2	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){1|N<3>,2|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)2{2|Br<1>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.4165	0.042	2	109.4165	0.002	2	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.5880	0.000	1	109.5960	0.000	2	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.6040	0.000	1	109.5960	0.000	2	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H){3|C<4>,3|O<2>}	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]2H){3|H<1>,5|C<4>}	H(C[3x6]C[6,6]2O[6,6])	108.9440	0.000	1	108.9440	0.000	1	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.6375	0.189	2	109.6375	0.036	2	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)2	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]C[6,6]2H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.1227	0.127	4	109.1227	0.016	4	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.7947	0.077	4	109.7947	0.006	4	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[4x6]HH)(O[6,6]C[3x6])(H){2|C<4>,2|H<1>,2|O<2>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.8090	0.000	1	109.8090	0.000	1	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)2(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.4830	0.229	2	109.4830	0.052	2	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.7350	0.145	3	109.7475	0.036	6	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	110.0370	0.000	1	109.7475	0.036	6	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<4>,1|O<3>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.6215	0.155	2	109.7475	0.036	6	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.6410	0.000	1	109.6050	0.059	3	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|N<3>}	H(C[3x6]C[6,6]2O[6,6])	109.3460	0.000	1	109.6050	0.059	3	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]C[3x6])(H){1|C<4>,2|O<2>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|N<4>}	H(C[3x6]C[6,6]2O[6,6])	109.8280	0.000	1	109.6050	0.059	3	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	110.0796	0.320	12	110.0796	0.102	12	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	109.3677	1.546	107	109.3677	2.389	107	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]O[6,6]2C[6a])(C[3x6]C[6,6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	107.5649	2.064	10	107.5649	4.259	10	109.3393	2.157	156	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)2(O[6,6]C[4x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[4x6]HH)2(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){4|C<4>,6|H<1>}	H(C[3x6]C[6,6]2O[6,6])	107.3297	2.484	3	107.3297	6.172	3	107.3297	6.172	3	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.3390	0.000	1	109.1090	0.106	2	109.4777	0.061	10	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH){1|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]2O[6,6])	108.8790	0.000	1	109.1090	0.106	2	109.4777	0.061	10	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO){1|C<4>,2|O<2>,4|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.5040	0.000	1	109.5040	0.000	1	109.4777	0.061	10	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HS)(C[6,6]O[6,6]HO)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH){1|C<4>,1|S<4>,2|O<2>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.5430	0.000	1	109.5430	0.000	1	109.4777	0.061	10	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6]O[6,6]N[6a]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]O[6,6]N[6a]H)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2O[6,6])	109.5853	0.140	6	109.5853	0.020	6	109.4777	0.061	10	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:P[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)2(O[6,6]P[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(P[3x6]O[6,6]2O)	H(C[3x6]C[6,6]2O[6,6])	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[6,6](C[3x6]C[6,6]2H)(P[3x6]O[6,6]2O){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2O[6,6])	106.0867	1.315	3	106.0867	1.729	3	106.0867	1.729	3	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(H)	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(H){1|C<3>,3|C<4>,3|H<1>}	O[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[6,6]2H){1|O<1>,5|H<1>,6|C<4>}	H(C[3x6]C[6,6]2O[6,6])	109.2225	0.250	2	109.2225	0.062	2	109.2225	0.062	2	109.2162	2.206	209	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6,6]	H	4:4:2:1:	6:4:	4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	Ge[6x6]-6:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]Ge[6x6])(H)	O[6,6](Ge[6x6]O[6,6]5)(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2O[6,6])	C[3x6](C[6,6]C[3x6]HN)2(O[6,6]Ge[6x6])(H){1|C<4>,2|H<1>,5|O<2>}	O[6,6](Ge[6x6]O[6,6]5)(C[3x6]C[6,6]2H){2|H<1>,2|N<4>,5|C<4>}	H(C[3x6]C[6,6]2O[6,6])	108.5350	0.154	5	108.5350	0.024	5	108.5350	0.024	5	108.5350	0.024	5	108.7489	2.450	420	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6]	H	4:2:2:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:O[6]-2:H-1:	C[3x6]-4:C[5,6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H)	O[6](C[3x6]C[4x6]O[6,6]H)(C[5,6]O[5,6]C[5]H)	H(C[3x6]C[4x6]O[6,6]O[6])	C[3x6](C[4x6]C[6,6,6a]C[5,4x6]H)(O[6,6]C[3x6])(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[3x6]C[4x6]O[6,6]H)(C[5,6]O[5,6]C[5]H){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[4x6]O[6,6]O[6])	108.1800	0.118	4	108.1800	0.014	4	108.1800	0.014	4	108.1800	0.014	4	109.1940	0.727	20	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:S[6]-3:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	O[6](C[3x6]C[3x6]C[4x6]H)(S[6]O[6]O)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[3x6]C[3x6]C[4x6]H)(S[6]O[6]O){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.7230	0.215	4	109.7230	0.046	4	109.7230	0.046	4	109.7230	0.046	4	109.1940	0.727	20	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CH)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.9330	0.371	2	109.9330	0.137	2	109.8520	0.064	4	109.3556	0.736	12	109.1940	0.727	20	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H)	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CO)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CO){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.7710	0.167	2	109.7710	0.028	2	109.8520	0.064	4	109.3556	0.736	12	109.1940	0.727	20	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[4x6]-4:O[6]-2:H-1:	C[3x6]-4:S[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H)	O[6](C[3x6]C[3x6]C[4x6]H)(S[6]O[6]OO)	H(C[3x6]C[3x6]C[4x6]O[6])	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[3x6]O[6,6]H)(O[6]S[6])(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	O[6](C[3x6]C[3x6]C[4x6]H)(S[6]O[6]OO){2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[3x6]C[4x6]O[6])	109.9930	0.098	2	109.9930	0.010	2	109.9930	0.010	2	109.3556	0.736	12	109.1940	0.727	20	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CC)	H(C[3x6]C[3x6]C[6,6]O[6])	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,5|C<4>}	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CC){2|H<1>,4|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6])	108.5240	0.308	2	108.5240	0.095	2	108.5240	0.095	2	109.3556	0.736	12	109.1940	0.727	20	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6]	H	4:4:2:1:	4:4:	4:	C[4x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]Br)(C[6,6]C[3x6]HH)(O[6]C[6])(H)	O[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)	H(C[3x6]C[4x6]C[6,6]O[6])	C[3x6](C[4x6]C[4x6]C[6,6]Br)(C[6,6]C[3x6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	O[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[4x6]C[6,6]O[6])	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	109.3556	0.736	12	109.1940	0.727	20	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[3x6]-4:O[6]-2:H-1:	C[5,3x6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]O[5]O[6])(C[3x6]C[6,6]2H)(O[6]C[5,3x6])(H)	O[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[3x6]C[5,3x6]C[3x6]H)	H(C[3x6]C[5,3x6]C[3x6]O[6])	C[3x6](C[5,3x6]C[5,3x6]O[5]O[6])(C[3x6]C[6,6]2H)(O[6]C[5,3x6])(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[3x6]C[5,3x6]C[3x6]H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[5,3x6]C[3x6]O[6])	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	109.3556	0.736	12	109.1940	0.727	20	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[3x6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[3x6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6]3)(O[6]C[6])(H)	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HO)	H(C[3x6]C[3x6]C[6,6]O[6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6]3)(O[6]C[6])(H){10|H<1>,1|N<3>,1|O<2>,3|C<4>}	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HO){3|H<1>,5|C<4>}	H(C[3x6]C[3x6]C[6,6]O[6])	108.5005	0.033	2	108.5005	0.001	2	108.5005	0.001	2	109.3556	0.736	12	109.1940	0.727	20	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[3x6]	H	4:2:2:1:	4:4:	4:	C[5x6]-4:O[6,6]-2:O[3x6]-2:H-1:	C[4x6]-4:C[4x6]-4:	C[4x6]-4:	C[4x6](C[5x6]C[3x6]C[4x6]C[6])(O[6,6]C[5,3x6])(O[3x6]C[4x6])(H)	O[3x6](C[4x6]C[5,5x6]C[6,6]O)(C[4x6]C[5x6]O[6,6]H)	H(C[4x6]C[5x6]O[3x6]O[6,6])	C[4x6](C[5x6]C[3x6]C[4x6]C[6])(O[6,6]C[5,3x6])(O[3x6]C[4x6])(H){1|O<2>,5|H<1>,6|C<4>}	O[3x6](C[4x6]C[5,5x6]C[6,6]O)(C[4x6]C[5x6]O[6,6]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[4x6]C[5x6]O[3x6]O[6,6])	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[5x6]-4:O[6,6]-2:O[3x6]-2:H-1:	C[5,3x6]-4:C[4x6]-4:	C[4x6]-4:	C[4x6](C[5x6]C[3x6]C[4x6]C[6])(O[6,6]C[5,3x6])(O[3x6]C[4x6])(H)	O[6,6](C[5,3x6]C[5,5x6]C[5,6]H)(C[4x6]C[5x6]O[3x6]H)	H(C[4x6]C[5x6]O[3x6]O[6,6])	C[4x6](C[5x6]C[3x6]C[4x6]C[6])(O[6,6]C[5,3x6])(O[3x6]C[4x6])(H){1|O<2>,5|H<1>,6|C<4>}	O[6,6](C[5,3x6]C[5,5x6]C[5,6]H)(C[4x6]C[5x6]O[3x6]H){1|C<3>,1|H<1>,6|C<4>}	H(C[4x6]C[5x6]O[3x6]O[6,6])	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	108.9877	3.391	15	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]O[6,6]2C[6a])(C[4x6]C[3x6]2H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<3>,2|H<1>,2|O<2>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[4x6]C[3x6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[4x6]C[3x6]2O[6,6])	110.4270	0.000	1	110.2252	0.023	5	110.2180	0.046	7	108.9648	3.643	14	108.9877	3.391	15	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]O[6,6]2C[6a])(C[4x6]C[3x6]2H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<2>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[4x6]C[3x6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[4x6]C[3x6]2O[6,6])	110.2690	0.000	1	110.2252	0.023	5	110.2180	0.046	7	108.9648	3.643	14	108.9877	3.391	15	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]O[6,6]2C[6a])(C[4x6]C[3x6]2H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[4x6]C[3x6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[4x6]C[3x6]2O[6,6])	110.0070	0.000	1	110.2252	0.023	5	110.2180	0.046	7	108.9648	3.643	14	108.9877	3.391	15	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]O[6,6]2C[6a])(C[4x6]C[3x6]2H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O[6,6](C[3x6]O[6,6]2C[6a])(C[4x6]C[3x6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[4x6]C[3x6]2O[6,6])	110.2115	0.054	2	110.2252	0.023	5	110.2180	0.046	7	108.9648	3.643	14	108.9877	3.391	15	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]O[6,6]2H)(C[4x6]C[3x6]2H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){1|C<4>,1|S<3>,2|O<2>,3|H<1>}	O[6,6](C[3x6]O[6,6]2H)(C[4x6]C[3x6]2H){2|C<4>,2|H<1>,2|O<2>}	H(C[4x6]C[3x6]2O[6,6])	110.4990	0.000	1	110.2000	0.179	2	110.2180	0.046	7	108.9648	3.643	14	108.9877	3.391	15	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]O[6,6]2H)(C[4x6]C[3x6]2H)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[3x6]O[6]H)2(O[6,6]C[3x6])(H){2|C<4>,2|O<2>,3|H<1>}	O[6,6](C[3x6]O[6,6]2H)(C[4x6]C[3x6]2H){2|C<4>,2|H<1>,2|O<2>}	H(C[4x6]C[3x6]2O[6,6])	109.9010	0.000	1	110.2000	0.179	2	110.2180	0.046	7	108.9648	3.643	14	108.9877	3.391	15	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(H)	O[6,6](C[4x6]C[3x6]2H)(C[6,6]N[3x6]HH)	H(C[4x6]C[3x6]2O[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(H){2|N<3>,4|C<3>,6|H<1>}	O[6,6](C[4x6]C[3x6]2H)(C[6,6]N[3x6]HH){2|H<1>,4|C<4>}	H(C[4x6]C[3x6]2O[6,6])	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	108.9648	3.643	14	108.9877	3.391	15	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[4x6]C[3x6]2H)(O[6,6]C[6,6])(H)	O[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]C[6]H)	H(C[4x6]C[3x6]C[4x6]O[6,6])	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[4x6]C[3x6]2H)(O[6,6]C[6,6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	H(C[4x6]C[3x6]C[4x6]O[6,6])	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	108.9648	3.643	14	108.9877	3.391	15	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[4x6]-4:	C[4x6]-4:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(O[6,6]C[3x6])(H)	O[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)	H(C[4x6]C[4x6]2O[6,6])	C[4x6](C[4x6]C[4x6]C[6,6]H)2(O[6,6]C[3x6])(H){5|C<4>,6|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H){4|C<4>,6|H<1>}	H(C[4x6]C[4x6]2O[6,6])	106.3237	2.696	3	106.3237	7.267	3	106.3237	7.267	3	108.9648	3.643	14	108.9877	3.391	15	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(O[6,6]C[6,6])(H)	O[6,6](C[4x6]C[4x6]2H)(C[6,6]C[3x6]CH)	H(C[4x6]C[4x6]2O[6,6])	C[4x6](C[4x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,3|O<2>,4|C<4>,5|H<1>}	O[6,6](C[4x6]C[4x6]2H)(C[6,6]C[3x6]CH){1|H<1>,3|C<3>,3|C<4>}	H(C[4x6]C[4x6]2O[6,6])	108.7120	0.000	1	108.9630	0.126	2	108.9630	0.126	2	108.9648	3.643	14	108.9877	3.391	15	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[4x6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-4:	C[4x6]-4:	C[4x6](C[4x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(O[6,6]C[6,6])(H)	O[6,6](C[4x6]C[4x6]2H)(C[6,6]C[3x6]CH)	H(C[4x6]C[4x6]2O[6,6])	C[4x6](C[4x6]C[3x6]C[6]2)(C[4x6]C[6,6]2C[6])(O[6,6]C[6,6])(H){1|O<1>,2|C<3>,3|O<2>,4|C<4>,6|H<1>}	O[6,6](C[4x6]C[4x6]2H)(C[6,6]C[3x6]CH){1|H<1>,2|C<3>,4|C<4>}	H(C[4x6]C[4x6]2O[6,6])	109.2140	0.000	1	108.9630	0.126	2	108.9630	0.126	2	108.9648	3.643	14	108.9877	3.391	15	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	2:3:4:1:	4:4:	4:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	O[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	O[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.9050	0.000	1	107.9050	0.000	1	105.8015	8.849	2	105.8015	8.849	2	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	2:3:4:1:	4:4:	4:	O[6,6]-2:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6,6]N)(C[6]C[6]HH)(H)	O[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6,6]N)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	O[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H){1|N<2>,3|C<4>,5|H<1>}	H(C[6,6]O[6,6]C[6]2)	103.6980	0.000	1	103.6980	0.000	1	105.8015	8.849	2	105.8015	8.849	2	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	2:4:2:1:	4:4:	4:	O[6,6]-2:C[6]-4:S[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(S[6]C[6])(H)	O[6,6](C[6,6]C[6]S[6]H)2	H(C[6,6]O[6,6]C[6]S[6])	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(S[6]C[6])(H){1|H<1>,1|S<2>,5|C<4>}	O[6,6](C[6,6]C[6]S[6]H)2{2|C<4>,4|H<1>}	H(C[6,6]O[6,6]C[6]S[6])	105.4135	0.637	2	105.4135	0.406	2	105.4135	0.406	2	105.4135	0.406	2	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	2:4:4:1:	4:4:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	O[6,6](C[6,6]C[6]2H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	O[6,6](C[6,6]C[6]2H)2{1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.6255	0.002	2	107.6255	0.000	2	107.3857	0.677	18	107.3857	0.677	18	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	2:4:4:1:	4:4:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2N)	H(C[6,6]O[6,6]C[6]2)	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[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2N){2|C<4>,2|F<1>,2|O<2>,4|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.5280	0.000	1	107.5280	0.000	1	107.3857	0.677	18	107.3857	0.677	18	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	2:4:4:1:	4:4:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)	H(C[6,6]O[6,6]C[6]2)	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[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.6720	0.000	1	107.0926	0.216	7	107.3857	0.677	18	107.3857	0.677	18	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	2:4:4:1:	4:4:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)	H(C[6,6]O[6,6]C[6]2)	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[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	H(C[6,6]O[6,6]C[6]2)	106.8766	0.345	5	107.0926	0.216	7	107.3857	0.677	18	107.3857	0.677	18	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	2:4:4:1:	4:4:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)	H(C[6,6]O[6,6]C[6]2)	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[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O){2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.5930	0.000	1	107.0926	0.216	7	107.3857	0.677	18	107.3857	0.677	18	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	2:4:4:1:	4:4:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O[6,6](C[6,6]C[6]2H)2	H(C[6,6]O[6,6]C[6]2)	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[6,6](C[6,6]C[6]2H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]O[6,6]C[6]2)	106.8193	0.222	4	106.9582	0.076	6	107.3857	0.677	18	107.3857	0.677	18	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	2:4:4:1:	4:4:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(H)	O[6,6](C[6,6]C[6]2H)2	H(C[6,6]O[6,6]C[6]2)	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[6,6](C[6,6]C[6]2H)2{1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.2360	0.041	2	106.9582	0.076	6	107.3857	0.677	18	107.3857	0.677	18	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	2:4:4:1:	4:4:	4:	O[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](O[6,6]C[6,6])(C[6]C[6]RuH)(C[6]C[6]HH)(H)	O[6,6](C[6,6]C[6]2H)2	H(C[6,6]O[6,6]C[6]2)	C[6,6](O[6,6]C[6,6])(C[6]C[6]RuH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	O[6,6](C[6,6]C[6]2H)2{1|Ru<8>,2|C<4>,6|H<1>}	H(C[6,6]O[6,6]C[6]2)	109.3830	0.165	2	109.3830	0.027	2	107.3857	0.677	18	107.3857	0.677	18	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:2:1:1:	4:3:	4:	P[3x6]-3:O[6,6]-2:H-1:H-1:	C[6,6]-4:P[3x6]-3:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2)(O[6,6]P[3x6])(H)2	O[6,6](C[6,6]P[3x6]HH)(P[3x6]O[6,6]2)	H(C[6,6]O[6,6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2)(O[6,6]P[3x6])(H)2{2|O<2>,4|H<1>}	O[6,6](C[6,6]P[3x6]HH)(P[3x6]O[6,6]2){2|C<4>}	H(C[6,6]O[6,6]P[3x6]H)	107.9393	3.050	3	107.9393	9.301	3	107.9393	9.301	3	107.9393	9.301	3	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:2:1:1:	4:4:	4:	N[3x6]-3:O[6,6]-2:H-1:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(O[6,6]C[4x6])(H)2	O[6,6](C[4x6]C[3x6]2H)(C[6,6]N[3x6]HH)	H(C[6,6]N[3x6]O[6,6]H)	C[6,6](N[3x6]C[6,6]2)(O[6,6]C[4x6])(H)2{2|C<3>,2|C<4>,3|H<1>}	O[6,6](C[4x6]C[3x6]2H)(C[6,6]N[3x6]HH){2|H<1>,4|C<4>}	H(C[6,6]N[3x6]O[6,6]H)	108.9830	0.014	2	108.9830	0.000	2	108.9830	0.000	2	108.9830	0.000	2	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H){1|O<1>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]O[6])	107.3880	0.034	2	107.3880	0.001	2	107.7225	0.103	6	107.7225	0.103	6	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]O[6])	107.6560	0.000	1	107.6560	0.000	1	107.7225	0.103	6	107.7225	0.103	6	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H)	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]O[6,6]O[6])	108.0670	0.000	1	107.9677	0.052	3	107.7225	0.103	6	107.7225	0.103	6	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H)	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]O[6,6]O[6])	107.7070	0.000	1	107.9677	0.052	3	107.7225	0.103	6	107.7225	0.103	6	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H)	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]O[6,6]O[6])	108.1290	0.000	1	107.9677	0.052	3	107.7225	0.103	6	107.7225	0.103	6	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:2:3:1:	4:4:	4:	C[6,6a]-3:O[6,6]-2:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H)	O[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]C)	H(C[6,6]C[6,6a]O[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H){1|H<1>,1|O<2>,5|C<3>}	O[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]C){1|H<1>,1|N<3>,3|C<3>}	H(C[6,6]C[6,6a]O[6,6]N[6])	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	108.4135	0.344	2	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:2:3:1:	4:4:	4:	N[6]-3:O[6,6]-2:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H)	O[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]N[6]H)	H(C[6,6]O[6,6]C[6]N[6])	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	O[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6,6]O[6,6]C[6]N[6])	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	108.4135	0.344	2	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:2:4:1:	4:4:	4:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[3]C[6]2)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[3]C[6]2){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6a]O[6,6]C[6])	107.5960	0.000	1	107.5960	0.000	1	107.6440	0.005	2	107.9443	0.273	3	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:2:4:1:	4:4:	4:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]C[6]2)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]C[6]2){5|C<3>,5|H<1>}	H(C[6,6]C[6,6a]O[6,6]C[6])	107.6920	0.000	1	107.6920	0.000	1	107.6440	0.005	2	107.9443	0.273	3	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:2:4:1:	4:4:	4:	N[5,6]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	O[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)	H(C[6,6]N[5,6]O[6,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]N[5,6]O[6,6]C[6])	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	107.9443	0.273	3	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H)	O[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]C)	H(C[6,6]C[6,6a]2O[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	O[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]C){2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]2O[6,6])	104.9990	0.000	1	104.9990	0.000	1	104.9990	0.000	1	107.0660	8.545	2	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:C[6]-3:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	107.0660	8.545	2	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	O[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]O[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	O[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]O[6,6]C[6])	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	108.0427	0.102	7	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	O[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[6,6a]C[6]H)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[6,6a]C[6]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	107.6900	0.044	2	107.6900	0.002	2	107.6900	0.002	2	108.0427	0.102	7	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H)	O[6,6](C[6,6]C[6,6a]C[6]H)2	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H){1|C<4>,2|H<1>,4|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)2{2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	108.1895	0.163	2	108.1895	0.027	2	108.2752	0.031	4	108.0427	0.102	7	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H)	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C){2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	108.4970	0.000	1	108.4970	0.000	1	108.2752	0.031	4	108.0427	0.102	7	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	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[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)	H(C[6,6]C[6,6a]O[6,6]C[6])	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[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]C[6])	108.2250	0.000	1	108.2250	0.000	1	108.2752	0.031	4	108.0427	0.102	7	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:3:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:As[3x6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]As[3x6])(H)2	O[6,6](C[6,6]C[3x6]HH)(As[3x6]O[6,6]2)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]As[3x6])(H)2{2|O<2>,4|H<1>}	O[6,6](C[6,6]C[3x6]HH)(As[3x6]O[6,6]2){3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.0755	0.082	17	109.0755	0.007	17	109.0755	0.007	17	108.9720	1.577	27	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:3:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:P[3x6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{2|O<2>,4|H<1>}	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2){3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	108.7960	2.119	10	108.7960	4.488	10	108.7960	4.488	10	108.9720	1.577	27	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]FH)	H(C[6,6]C[3x6]O[6,6]F)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]FH){1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]O[6,6]F)	109.1410	0.000	1	109.1410	0.000	1	109.2503	2.301	7	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H)	O[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]FH)	H(C[6,6]C[3x6]O[6,6]F)	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]FH){1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]F)	110.1437	0.940	3	110.1437	0.883	3	109.2503	2.301	7	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]FH)	H(C[6,6]C[3x6]O[6,6]F)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]FH){1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]O[6,6]F)	108.3933	1.928	3	108.3933	3.715	3	109.2503	2.301	7	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|C<4>,1|F<1>,2|O<2>,3|H<1>}	O[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	107.7795	1.262	2	107.7795	1.593	2	108.8952	7.047	52	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH){1|C<4>,1|F<1>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	108.4332	1.957	6	108.4332	3.831	6	108.8952	7.047	52	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(H)2{1|O<2>,2|H<1>,4|C<4>}	O[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH){3|H<1>,4|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.2840	0.127	3	109.2840	0.016	3	108.8952	7.047	52	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[5,6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|H<1>,2|C<4>,3|C<3>}	O[6,6](C[3x6]C[5,6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]O[6,6]H)	109.7500	0.017	2	109.7500	0.000	2	108.8952	7.047	52	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|C<4>,1|F<1>,2|O<2>,3|H<1>}	O[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	111.4595	6.455	6	111.4595	41.673	6	108.8952	7.047	52	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(O[6,6]C[3x6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6,6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.6435	0.008	2	109.6435	0.000	2	108.8952	7.047	52	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(O[6,6]C[3x6])(H)2{2|C<4>,2|H<1>,4|C<3>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]O[6,6]H)	109.2200	0.065	2	109.2200	0.004	2	108.8952	7.047	52	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2{1|N<3>,3|C<4>,3|H<1>}	O[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]HH){1|C<3>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.6377	0.075	4	109.6377	0.006	4	108.8952	7.047	52	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2{1|C<4>,2|O<2>,4|H<1>}	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH){3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.3781	1.465	11	109.3781	2.145	11	108.8952	7.047	52	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	106.7820	0.481	12	106.7820	0.232	12	108.8952	7.047	52	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH){1|C<4>,1|S<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	109.7310	0.008	2	109.7310	0.000	2	108.8952	7.047	52	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[4,5,6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6]H)(O[6,6]C[4,5,6,6])(H)2	O[6,6](C[4,5,6,6]C[4,5,6]C[4,6,6]C[5])(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(O[6,6]C[4,5,6,6])(H)2{3|H<1>,4|C<4>}	O[6,6](C[4,5,6,6]C[4,5,6]C[4,6,6]C[5])(C[6,6]C[3x6]HH){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	106.0895	0.384	2	106.0895	0.147	2	106.0895	0.147	2	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[4x6])(H)2	O[6,6](C[4x6]C[3x6]2O)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[4x6])(H)2{2|H<1>,2|O<2>,3|C<4>}	O[6,6](C[4x6]C[3x6]2O)(C[6,6]C[3x6]HH){1|H<1>,6|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.3365	0.009	2	109.3365	0.000	2	109.3365	0.000	2	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(O[6,6]C[5,3x6])(H)2	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]O)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(O[6,6]C[5,3x6])(H)2{1|H<1>,2|C<4>,2|O<2>}	O[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]O)(C[6,6]C[3x6]HH){2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.8495	0.074	2	109.8495	0.006	2	109.8495	0.006	2	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:P[3x6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2O)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|O<1>,2|O<2>,4|H<1>}	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2O){1|C<3>,2|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.6949	0.094	16	109.6979	0.012	32	109.6588	0.018	43	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:P[3x6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2O)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|O<1>,2|O<2>,4|H<1>}	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2O){3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.7009	0.123	16	109.6979	0.012	32	109.6588	0.018	43	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:P[3x6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2S)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|S<1>,2|O<2>,4|H<1>}	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2S){3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.5220	0.160	5	109.5220	0.025	5	109.6588	0.018	43	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:P[3x6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2W)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|W<7>,2|O<2>,4|H<1>}	O[6,6](C[6,6]C[3x6]HH)(P[3x6]O[6,6]2W){3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.5643	0.134	6	109.5643	0.018	6	109.6588	0.018	43	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	P[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	O[6,6](P[3x6]O[6,6]2Fe)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Fe<8>,2|O<2>,4|H<1>}	O[6,6](P[3x6]O[6,6]2Fe)(C[6,6]C[3x6]HH){3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.4480	0.130	21	109.4480	0.017	21	109.4751	0.014	66	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	P[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	O[6,6](P[3x6]O[6,6]2Mo)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Mo<6>,2|O<2>,4|H<1>}	O[6,6](P[3x6]O[6,6]2Mo)(C[6,6]C[3x6]HH){3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.5363	0.081	14	109.5363	0.007	14	109.4751	0.014	66	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	P[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	O[6,6](P[3x6]O[6,6]2Rh)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Rh<4>,2|O<2>,4|H<1>}	O[6,6](P[3x6]O[6,6]2Rh)(C[6,6]C[3x6]HH){3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.5260	0.083	6	109.5260	0.007	6	109.4751	0.014	66	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	P[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	O[6,6](P[3x6]O[6,6]2Ru)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Ru<6>,2|O<2>,4|H<1>}	O[6,6](P[3x6]O[6,6]2Ru)(C[6,6]C[3x6]HH){3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.4389	0.105	14	109.4512	0.013	25	109.4751	0.014	66	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	P[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	O[6,6](P[3x6]O[6,6]2Ru)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Ru<9>,2|O<2>,4|H<1>}	O[6,6](P[3x6]O[6,6]2Ru)(C[6,6]C[3x6]HH){3|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	109.4670	0.132	11	109.4512	0.013	25	109.4751	0.014	66	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4,6,6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH)	H(C[6,6]C[4,6,6]O[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]O[6,6]H)	109.5830	0.031	2	109.4665	0.019	4	109.3718	0.019	8	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4,6,6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH)	H(C[6,6]C[4,6,6]O[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	H(C[6,6]C[4,6,6]O[6,6]H)	109.3500	0.027	2	109.4665	0.019	4	109.3718	0.019	8	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4,6,6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2	O[6,6](C[6,6]C[4,6,6]HH)2	H(C[6,6]C[4,6,6]O[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O[6,6](C[6,6]C[4,6,6]HH)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]O[6,6]H)	109.2770	0.026	4	109.2770	0.001	4	109.3718	0.019	8	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3,6,6]C[3x6]2)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3,6,6]C[3x6]2)(O[6,6]C[3x6])(H)2{2|H<1>,3|O<2>,5|C<4>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	108.0660	1.780	2	108.0660	3.170	2	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[3x6]C[6,6]O)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{2|O<2>,3|H<1>,5|C<4>}	O[6,6](C[3x6]C[3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.7130	0.000	1	109.7130	0.000	1	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.0910	0.583	2	109.3272	0.457	19	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|O<1>,5|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.4965	0.006	2	109.3272	0.457	19	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	108.7173	1.351	4	109.3272	0.457	19	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{2|O<2>,3|H<1>,5|C<4>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.4295	0.069	2	109.3272	0.457	19	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{2|O<2>,3|H<1>,5|C<4>}	O[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[4x6]HH){1|H<1>,1|O<2>,5|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.5903	0.114	9	109.3272	0.457	19	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.1555	0.011	2	108.5488	1.930	6	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH){2|C<3>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	107.3360	2.288	2	108.5488	1.930	6	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|O<1>,3|H<1>,5|C<4>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.1550	0.007	2	108.5488	1.930	6	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[6,6]2O)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|O<2>,4|H<1>,5|C<4>}	O[6,6](C[3x6]C[6,6]2O)(C[6,6]C[4x6]HH){2|H<1>,5|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.4360	0.055	2	109.4360	0.003	2	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[4x6]HH){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.1863	0.065	4	109.1863	0.004	4	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(O[6,6]C[3x6])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[4x6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.6745	0.033	2	109.6010	0.017	3	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(O[6,6]C[3x6])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[4x6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.4540	0.000	1	109.6010	0.017	3	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(O[6,6]C[3x6])(H)2	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(O[6,6]C[3x6])(H)2{2|C<3>,3|C<4>,4|H<1>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[4x6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[4x6]O[6,6]H)	109.4998	0.057	4	109.4998	0.003	4	109.1896	0.693	41	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[4x6])(H)2	O[6,6](C[4x6]C[5,4x6]C[6,6]O[6])(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[4x6])(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	O[6,6](C[4x6]C[5,4x6]C[6,6]O[6])(C[6,6]C[4x6]HH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	107.9805	0.192	2	107.9805	0.037	2	107.7955	0.110	4	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[4x6])(H)2	O[6,6](C[4x6]C[5,4x6]C[6,6]O[6])(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[4x6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6,6](C[4x6]C[5,4x6]C[6,6]O[6])(C[6,6]C[4x6]HH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	107.6105	0.394	2	107.6105	0.155	2	107.7955	0.110	4	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[5,3x6])(H)2	O[6,6](C[5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[5,3x6])(H)2{2|O<2>,3|H<1>,5|C<4>}	O[6,6](C[5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[4x6]HH){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.5743	0.045	8	109.5743	0.002	8	109.5743	0.002	8	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[5,4x6])(H)2	O[6,6](C[5,4x6]C[5,3x6]C[5,6]C[6,6])(C[6,6]C[4x6]HH)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(O[6,6]C[5,4x6])(H)2{4|H<1>,6|C<4>}	O[6,6](C[5,4x6]C[5,3x6]C[5,6]C[6,6])(C[6,6]C[4x6]HH){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	109.1150	0.045	2	109.1150	0.002	2	109.1150	0.002	2	109.2670	1.909	237	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]2C)(O[6,6]C[3x6])(OC)(H)	O[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]HO)	H(C[6,6]C[3x6]O[6,6]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>}	O[6,6](C[3x6]C[5,6,6]2H)(C[6,6]C[3x6]HO){1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[3x6]O[6,6]O)	109.2820	0.000	1	109.2820	0.000	1	109.1067	0.247	3	108.9135	0.566	8	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(OC)(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)	H(C[6,6]C[3x6]O[6,6]O)	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>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]O)	108.5460	0.000	1	108.5460	0.000	1	109.1067	0.247	3	108.9135	0.566	8	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(OC)(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)	H(C[6,6]C[3x6]O[6,6]O)	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>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO){1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]O)	109.4920	0.000	1	109.4920	0.000	1	109.1067	0.247	3	108.9135	0.566	8	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:S-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(SC[6a])(H)	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)	H(C[6,6]C[3x6]O[6,6]S)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(SC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]O[6,6]S)	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.9135	0.566	8	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]HO)	H(C[6,6]C[4x6]O[6,6]O)	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>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]HO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[4x6]O[6,6]O)	109.0470	0.000	1	109.0470	0.000	1	108.7170	0.218	2	108.9135	0.566	8	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H)	O[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[4x6]HO)	H(C[6,6]C[4x6]O[6,6]O)	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>}	O[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[4x6]HO){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]O)	108.3870	0.000	1	108.3870	0.000	1	108.7170	0.218	2	108.9135	0.566	8	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(O[6]C[6])(H)	O[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[4x6]O[6]H)	H(C[6,6]C[4x6]O[6,6]O[6])	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(O[6]C[6])(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	O[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[4x6]O[6]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4x6]O[6,6]O[6])	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	108.9135	0.566	8	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:2:1:	4:4:	4:	C[5,3x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H)	O[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HO)	H(C[6,6]C[5,3x6]O[6,6]O)	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	O[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HO){1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[5,3x6]O[6,6]O)	110.1510	0.000	1	110.1510	0.000	1	110.1510	0.000	1	108.9135	0.566	8	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:3:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:N[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(N[6a]C[6a]2)(H)	O[6,6](C[6,6]C[3x6]N[6a]H)(C[3x6]C[6,6]2C)	H(C[6,6]C[3x6]O[6,6]N[6a])	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	O[6,6](C[6,6]C[3x6]N[6a]H)(C[3x6]C[6,6]2C){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]N[6a])	108.9550	0.641	6	108.9550	0.411	6	108.9550	0.411	6	108.9523	0.336	14	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:3:1:	4:4:	4:	C[6,6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(H)	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]O[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]O[6,6]C[6])	108.2220	0.027	2	108.2220	0.001	2	108.2603	0.005	3	108.9523	0.336	14	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:3:1:	4:4:	4:	C[6,6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(O[6,6]C[6,6])(C[6]C[6]O)(H)	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]O[6,6]C[6])	C[6,6](C[6,6]C[6,6]O[6]H)(O[6,6]C[6,6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]O[6,6]C[6])	108.3370	0.000	1	108.3370	0.000	1	108.2603	0.005	3	108.9523	0.336	14	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H)	O[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	H(C[6,6]O[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H){1|O<2>,3|C<3>}	O[6,6](C[6,6]C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[6,6]O[6,6]C[6]2)	109.4220	0.016	2	109.4220	0.000	2	109.3642	0.004	5	108.9523	0.336	14	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6,6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H)	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H)	H(C[6,6]O[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6]N[6]N)(H){1|H<1>,1|O<2>,2|C<3>}	O[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]2H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]O[6,6]C[6]2)	109.3257	0.046	3	109.3257	0.002	3	109.3642	0.004	5	108.9523	0.336	14	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:4:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:C-4:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H)	O[6,6](C[4x6]C[4x6]2H)(C[6,6]C[3x6]CH)	H(C[6,6]C[3x6]O[6,6]C)	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6,6](C[4x6]C[4x6]2H)(C[6,6]C[3x6]CH){1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]O[6,6]C)	108.0100	0.000	1	107.7100	0.180	2	107.7100	0.180	2	107.3438	0.614	10	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:4:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:C-4:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H)	O[6,6](C[4x6]C[4x6]2H)(C[6,6]C[3x6]CH)	H(C[6,6]C[3x6]O[6,6]C)	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6,6](C[4x6]C[4x6]2H)(C[6,6]C[3x6]CH){1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]O[6,6]C)	107.4100	0.000	1	107.7100	0.180	2	107.7100	0.180	2	107.3438	0.614	10	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:4:1:	4:4:	4:	C[4,6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2C)(O[6,6]C[6,6])(C[6]C[6]2H)(H)	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH)	H(C[6,6]C[4,6,6]O[6,6]C[6])	C[6,6](C[4,6,6]C[4,6]2C)(O[6,6]C[6,6])(C[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,7|H<1>}	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]O[6,6]C[6])	108.0020	0.000	1	108.0020	0.000	1	108.1965	0.076	2	107.3438	0.614	10	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:4:1:	4:4:	4:	C[4,6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(C[6]S[6]2H)(H)	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH)	H(C[6,6]C[4,6,6]O[6,6]C[6])	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(C[6]S[6]2H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	H(C[6,6]C[4,6,6]O[6,6]C[6])	108.3910	0.000	1	108.3910	0.000	1	108.1965	0.076	2	107.3438	0.614	10	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:4:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:C-4:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(CH3)(H)	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]CH)	H(C[6,6]C[4x6]O[6,6]C)	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(CH3)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]CH){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[4x6]O[6,6]C)	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	107.3438	0.614	10	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:4:1:	4:4:	4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	P[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	O[6,6](P[3x6]C[6,6]O[6,6]Cr)(C[6,6]C[5,3x6]CH)	H(C[6,6]C[5,3x6]O[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|Cr<6>,1|O<2>,2|C<3>,3|C<4>}	O[6,6](P[3x6]C[6,6]O[6,6]Cr)(C[6,6]C[5,3x6]CH){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]O[6,6]C)	106.6880	0.000	1	106.6880	0.000	1	106.6853	0.006	3	107.3438	0.614	10	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:4:1:	4:4:	4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	P[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	O[6,6](P[3x6]C[6,6]O[6,6]Mo)(C[6,6]C[5,3x6]CH)	H(C[6,6]C[5,3x6]O[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|Mo<6>,1|O<2>,2|C<3>,3|C<4>}	O[6,6](P[3x6]C[6,6]O[6,6]Mo)(C[6,6]C[5,3x6]CH){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]O[6,6]C)	106.7610	0.000	1	106.7610	0.000	1	106.6853	0.006	3	107.3438	0.614	10	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:4:1:	4:4:	4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	P[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	O[6,6](P[3x6]C[6,6]O[6,6]W)(C[6,6]C[5,3x6]CH)	H(C[6,6]C[5,3x6]O[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|O<2>,1|W<6>,2|C<3>,3|C<4>}	O[6,6](P[3x6]C[6,6]O[6,6]W)(C[6,6]C[5,3x6]CH){1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]O[6,6]C)	106.6070	0.000	1	106.6070	0.000	1	106.6853	0.006	3	107.3438	0.614	10	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H)	O[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2O)	H(C[6,6]C[5,6]O[6,6]C[6])	C[6,6](C[5,6]C[5,6]O[5]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|O<2>,5|C<4>}	O[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2O){2|C<4>,2|F<1>,2|O<2>,4|H<1>}	H(C[6,6]C[5,6]O[6,6]C[6])	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	107.3438	0.614	10	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H)	O[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)	H(C[6,6]C[6,6]O[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	O[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H){1|N<2>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]O[6,6]C[6])	106.1980	0.000	1	106.1980	0.000	1	106.1980	0.000	1	107.3438	0.614	10	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6,6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)2(O[6,6]C[6,6])(H)	O[6,6](C[6,6]C[6,6a]2C)(C[6,6]C[6]2H)	H(C[6,6]O[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)2(O[6,6]C[6,6])(H){1|C<4>,4|C<3>}	O[6,6](C[6,6]C[6,6a]2C)(C[6,6]C[6]2H){4|C<3>,4|H<1>}	H(C[6,6]O[6,6]C[6]2)	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	108.9275	2.109	344	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6,6]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]O[6]2)	108.3360	0.000	1	108.3360	0.000	1	108.3360	0.000	1	108.3360	0.000	1	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CC)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CC){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.1105	1.641	2	108.1105	2.694	2	108.1105	2.694	2	108.7909	1.070	16	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6a]N[6,6]H)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6a]N[6,6]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.9200	0.515	3	108.9200	0.266	3	108.9200	0.266	3	108.7909	1.070	16	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){3|H<1>,6|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH){5|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.6840	0.000	1	108.6840	0.000	1	108.2795	0.327	2	108.7909	1.070	16	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	107.8750	0.000	1	107.8750	0.000	1	108.2795	0.327	2	108.7909	1.070	16	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:3:2:1:	4:4:	4:	N[5,6,6]-3:C[6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	O[6](C[6,6]N[5,6,6]C[6,6a]H)(C[6]C[5,6]C[6a]H)	H(C[6,6]N[5,6,6]C[6,6a]O[6])	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6]N[5,6,6]C[6,6a]H)(C[6]C[5,6]C[6a]H){1|N<3>,2|C<4>,5|C<3>}	H(C[6,6]N[5,6,6]C[6,6a]O[6])	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	108.7909	1.070	16	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:3:2:1:	4:4:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]C[6a]H)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,5|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	108.5250	0.000	1	108.5250	0.000	1	109.3415	1.650	6	108.7909	1.070	16	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:3:2:1:	4:4:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO){1|Br<1>,1|H<1>,3|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	108.5590	0.000	1	108.5590	0.000	1	109.3415	1.650	6	108.7909	1.070	16	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:3:2:1:	4:4:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC){1|H<1>,4|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	108.1800	0.000	1	108.1800	0.000	1	109.3415	1.650	6	108.7909	1.070	16	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:3:2:1:	4:4:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	108.8290	0.000	1	108.8290	0.000	1	109.3415	1.650	6	108.7909	1.070	16	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:3:2:1:	4:4:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]N[6,6]C[6]O[6])	110.9780	0.066	2	110.9780	0.004	2	109.3415	1.650	6	108.7909	1.070	16	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:3:2:1:	4:4:	4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]N[6,6]N[6]H)	H(C[6,6]N[6,6]N[6]O[6])	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]N[6,6]N[6]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]N[6,6]N[6]O[6])	108.5995	0.070	2	108.5995	0.005	2	108.5995	0.005	2	108.7909	1.070	16	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]C[6a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4270	0.462	2	109.4270	0.214	2	109.2875	0.654	4	109.2875	0.654	4	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.0620	0.000	1	110.0620	0.000	1	109.2875	0.654	4	109.2875	0.654	4	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]O[6]HH)(O[6]N[6])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.2340	0.000	1	108.2340	0.000	1	109.2875	0.654	4	109.2875	0.654	4	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH){1|N<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.7755	0.097	2	109.7755	0.009	2	109.4853	0.257	3	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|H<1>,3|O<2>,4|C<4>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO){1|H<1>,1|N<2>,2|O<2>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.9050	0.000	1	108.9050	0.000	1	109.4853	0.257	3	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[5a,6]C[6,6]O[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6]O[6])	108.4070	0.000	1	108.4070	0.000	1	108.5800	0.060	2	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[5a,6]C[6,6]O[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5a,6]C[6,6]O[6])	108.7530	0.000	1	108.7530	0.000	1	108.5800	0.060	2	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6]O[6])	108.2980	0.000	1	108.2980	0.000	1	109.2270	0.680	4	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HH)	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	H(C[6,6]C[6,6,6a]C[6]O[6])	110.1710	0.000	1	110.1710	0.000	1	109.2270	0.680	4	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6,6a]C[6]O[6])	109.2195	0.535	2	109.2195	0.287	2	109.2270	0.680	4	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H)	O[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[3x6]HH)(O[6]C[5,5,6])(H){1|C<3>,1|O<2>,7|C<4>}	O[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6]C[6,6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2O[6])	108.1510	0.000	1	108.1510	0.000	1	108.1510	0.000	1	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9480	0.000	1	108.9480	0.000	1	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.7325	0.718	2	108.4752	0.199	6	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8040	0.000	1	108.4752	0.199	6	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.1830	0.000	1	108.4752	0.199	6	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.1995	0.066	2	108.4752	0.199	6	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.5102	0.273	6	110.5102	0.074	6	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.6527	0.913	4	110.6527	0.834	4	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO){1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.4460	0.049	2	110.4460	0.002	2	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	110.8940	0.000	1	110.8940	0.000	1	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(O[6]C[6])(H){3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.1840	0.000	1	108.1840	0.000	1	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.7850	0.000	1	108.7850	0.000	1	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6400	0.000	2	109.6400	0.000	2	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.0760	0.000	1	108.0760	0.000	1	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[6])(H){2|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.7330	0.212	2	109.7330	0.045	2	109.6684	1.129	27	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[3x6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6a]C[3x6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[3x6]O[6])	107.6080	0.000	1	107.6080	0.000	1	107.6080	0.000	1	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[5,6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)	H(C[6,6]C[5,6,6]C[6,6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6a]O[6])	109.0640	0.646	2	109.0640	0.418	2	109.0640	0.418	2	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.3530	0.000	1	108.2193	0.017	3	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.2100	0.000	1	108.2193	0.017	3	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.0950	0.000	1	108.2193	0.017	3	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.4780	0.000	1	109.4780	0.000	1	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	110.8020	0.000	1	109.5530	3.120	2	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.3040	0.000	1	109.5530	3.120	2	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.5327	0.185	3	108.5327	0.034	3	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.5150	0.004	2	108.5150	0.000	2	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.9665	0.132	2	108.9665	0.017	2	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.0643	0.493	9	107.3394	0.568	11	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.5770	0.011	2	107.3394	0.568	11	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.6370	0.000	1	108.6370	0.000	1	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.5220	0.000	1	107.5220	0.000	1	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.0440	0.000	1	108.0440	0.000	1	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.6270	0.000	1	109.6270	0.000	1	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.6340	0.000	1	109.2773	0.850	6	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.8590	0.000	1	109.2773	0.850	6	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.6750	0.000	1	109.2773	0.850	6	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.8320	0.066	3	109.2773	0.850	6	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.6568	0.537	4	108.6568	0.288	4	108.3857	1.038	38	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:Si[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(Si[6]O[6]CC)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	O[6](C[6,6]C[6,6a]C[6,6]H)(Si[6]O[6]CC){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]N[5a,6]C[6,6]O[6])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6,6]N[5a,6]C[6,6]O[6])	110.0080	0.000	1	110.0080	0.000	1	110.0080	0.000	1	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[5,6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[5,6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH){1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.4520	0.000	1	108.4520	0.000	1	108.2392	7.981	4	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	3:4:2:1:	4:4:	4:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.1683	3.456	3	108.1683	11.941	3	108.2392	7.981	4	108.9004	1.539	84	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HN)	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<2>,1|O<2>,3|H<1>,6|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HN){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]O[6]2)	108.6170	0.000	1	108.6170	0.000	1	108.1660	0.332	25	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){2|O<2>,3|H<1>,6|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]O[6]2)	108.5003	0.278	7	108.5003	0.077	7	108.1660	0.332	25	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|C<3>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]O[6]2)	107.8560	0.000	1	108.0018	0.379	17	108.1660	0.332	25	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<2>,1|O<2>,3|H<1>,6|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|O<2>,3|C<4>}	H(C[6,6]C[3x6]O[6]2)	108.5990	0.000	1	108.0018	0.379	17	108.1660	0.332	25	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|C<3>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]O[6]2)	107.6247	0.526	3	108.0018	0.379	17	108.1660	0.332	25	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|C<3>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]O[6]2)	107.3875	0.253	4	108.0018	0.379	17	108.1660	0.332	25	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	H(C[6,6]C[3x6]O[6]2)	C[6,6](C[3x6]C[6,6]C[6]O[6])(O[6]C[6])2(H){2|O<2>,3|H<1>,6|C<4>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|O<2>,3|C<4>}	H(C[6,6]C[3x6]O[6]2)	108.3939	0.503	8	108.0018	0.379	17	108.1660	0.332	25	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)	H(C[6,6]C[5,6,6]O[6]2)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	O[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]O[6]2)	108.2690	0.000	1	108.2690	0.000	1	108.2690	0.000	1	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:N[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a])(O[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	108.2550	0.000	1	108.2550	0.000	1	109.3813	0.969	3	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:N[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6])(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]N[6]O[6])	109.9445	0.185	2	109.9445	0.034	2	109.3813	0.969	3	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[3x6])(O[6]C[6])(H)	O[6](C[3x6]C[4x6]C[6]O[6])(C[6,6]C[6,6]O[6]H)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[3x6])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[6](C[3x6]C[4x6]C[6]O[6])(C[6,6]C[6,6]O[6]H){1|Cl<1>,1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]O[6]2)	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]O)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)	H(C[6,6]C[6,6]O[6]2)	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[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H){2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]O[6]2)	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[5,6]C[6]H)(O[6]C[6])2(H){1|C<3>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]O[6]2)	106.5610	0.000	1	106.5610	0.000	1	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]O)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]O[6]2)	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[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]O[6]2)	109.4310	0.000	1	109.4310	0.000	1	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[3x6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[3x6])(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]O[6]2)	107.9860	0.000	1	107.9860	0.000	1	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]O[6]2)	107.7170	0.029	3	107.7170	0.001	3	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2C)(O[6]C[6])2(H){1|O<1>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]O[6]2)	107.3520	0.000	1	107.3520	0.000	1	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2C)(O[6]C[6])2(H){1|O<1>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]O[6]2)	106.0930	0.000	1	106.0930	0.000	1	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])(H){1|C<3>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]O[6]2)	108.2800	0.000	1	108.2800	0.000	1	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]O[6]2)	110.2020	0.000	1	110.2020	0.000	1	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6]O)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6]O){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]O[6]2)	109.0825	0.780	2	109.0825	0.608	2	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]O[6]2)	108.7890	0.000	1	108.7890	0.000	1	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H){1|C<3>,2|C<4>,7|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<4>}	H(C[6,6]C[6,6]O[6]2)	107.9880	0.000	1	108.0010	0.000	2	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]2H)(O[6]C[6])2(H){1|C<3>,2|C<4>,7|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]O[6]2)	108.0140	0.000	1	108.0010	0.000	2	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]O[6]H)(O[6]C[6])2(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]O[6]2)	110.1557	0.355	3	110.1557	0.126	3	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(O[6]C[6])2(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]O[6]2)	C[6,6](C[6,6]C[6]O[6]H)(O[6]C[6])2(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]O[6]2)	110.1793	0.360	3	110.1793	0.129	3	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]O)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]O[6]2)	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[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	H(C[6,6]C[6,6]O[6]2)	109.2555	0.042	2	109.2555	0.002	2	108.7621	1.610	23	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:S[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(O[6]C[6])(S[6]C[6])(H)	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]O[6]S[6])	C[6,6](C[6,6]C[6]S[6]H)(O[6]C[6])(S[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]O[6]S[6])	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:S[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]O[6]S[6]H)(S[6]C[5,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]O[6]S[6])	C[6,6](C[6,6]O[6]S[6]H)(S[6]C[5,6])(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	H(C[6,6]C[6,6]O[6]S[6])	108.7500	1.858	3	108.7500	3.452	3	108.7500	3.452	3	108.5649	1.162	58	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.2490	0.000	1	108.7000	1.440	9	108.7000	1.440	9	108.2853	2.004	11	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<4>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	111.8410	0.000	1	108.7000	1.440	9	108.7000	1.440	9	108.2853	2.004	11	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){3|H<1>,6|C<4>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.3157	0.264	7	108.7000	1.440	9	108.7000	1.440	9	108.2853	2.004	11	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]H)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6]){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.4190	0.066	2	106.4190	0.004	2	106.4190	0.004	2	108.2853	2.004	11	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]O[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H)	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6,6]O[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3310	0.235	2	109.3310	0.055	2	108.9757	0.406	3	108.9757	0.406	3	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H)	O[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6,6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.2650	0.000	1	108.2650	0.000	1	108.9757	0.406	3	108.9757	0.406	3	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]N[6,6]C[6a]H)(C[6]C[6]H)(O[6]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C){1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1600	0.000	1	109.1600	0.000	1	109.1600	0.000	1	109.1600	0.000	1	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[3x6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(N[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]N[6]H)(C[6]O[6]CC)	H(C[6,6]C[3x6]N[6]O[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(N[6]C[6]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	O[6](C[6,6]C[3x6]N[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]N[6]O[6])	107.3832	0.193	16	107.3832	0.037	16	107.3832	0.037	16	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[4x6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6])(O[6]C[6])(H)	O[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]CH)	H(C[6,6]C[4x6]C[6,6]O[6])	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6])(O[6]C[6])(H){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]CH){1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]O[6])	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6,6]-4:C[6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)	H(C[6,6]C[5,6,6]C[6,6a]O[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6a]O[6])	106.0010	0.000	1	106.0010	0.000	1	106.0010	0.000	1	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]Br)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]O[6])	107.4390	0.000	1	107.4390	0.000	1	108.1418	2.661	4	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]O[6])	106.1670	0.000	1	106.1670	0.000	1	108.1418	2.661	4	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H){2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH){1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]O[6])	109.4380	0.000	1	109.4380	0.000	1	108.1418	2.661	4	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]O[6])	109.5230	0.000	1	109.5230	0.000	1	108.1418	2.661	4	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[5,6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6,6a]C[5,6]O[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,6|C<4>}	O[6](C[6,6]C[6,6,6a]C[5,6]H)(C[6]O[6]CC){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6,6a]C[5,6]O[6])	108.9030	0.000	1	108.9030	0.000	1	108.9030	0.000	1	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.5676	0.787	5	109.5676	0.619	5	109.5676	0.619	5	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6,6a]C[6,6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6,6a]C[6,6]O[6])	109.2870	0.000	1	108.7820	0.510	2	109.1013	0.561	3	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6,6a]C[6,6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6,6a]C[6,6]O[6])	108.2770	0.000	1	108.7820	0.510	2	109.1013	0.561	3	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6,6a]C[6,6]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6,6a]C[6,6]O[6])	109.7400	0.000	1	109.7400	0.000	1	109.1013	0.561	3	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]2H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2O[6])	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	110.4280	0.000	1	110.4280	0.000	1	108.6756	7.941	12	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	100.3790	0.000	1	100.3790	0.000	1	108.6756	7.941	12	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6000	0.000	1	108.6000	0.000	1	108.6756	7.941	12	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7470	0.000	1	109.7470	0.000	1	108.6756	7.941	12	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9700	0.000	1	109.1640	0.152	3	108.6756	7.941	12	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6130	0.000	1	109.1640	0.152	3	108.6756	7.941	12	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9090	0.000	1	109.1640	0.152	3	108.6756	7.941	12	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.0000	0.912	3	109.0000	0.832	3	108.6756	7.941	12	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.4340	0.000	1	108.4340	0.000	1	108.6756	7.941	12	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,1|O<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	112.0270	0.000	1	112.0270	0.000	1	108.6756	7.941	12	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:Si[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(Si[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]Si[6])(H){1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(Si[6]O[6]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0090	0.000	1	109.0090	0.000	1	109.0090	0.000	1	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(O[6]C[6,6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]N[6]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	108.7780	0.000	1	108.7780	0.000	1	108.9765	0.905	6	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6]S)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6]S)(O[6]C[6])(H){1|C<3>,2|C<4>,7|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|S<4>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	109.5990	0.000	1	109.5990	0.000	1	108.9765	0.905	6	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	109.5340	0.000	1	109.5340	0.000	1	108.9765	0.905	6	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	107.9250	0.566	2	107.9250	0.320	2	108.9765	0.905	6	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	110.0980	0.000	1	110.0980	0.000	1	108.9765	0.905	6	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:S[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(S[6]C[6]O)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]O[6]S[6])	C[6,6](C[6,6]C[6]O[6]H)(S[6]C[6]O)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]O[6]S[6])	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6,6]O)(O[6]C[6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	110.3480	0.000	1	110.3480	0.000	1	109.7810	0.643	2	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[6a]O[6]H)(C[6,6]C[6]2)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2140	0.000	1	109.2140	0.000	1	109.7810	0.643	2	108.4407	2.842	55	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:2:	4:	C[5,6,6]-4:C[5,6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[3,5]C[5,6]C)(O[6]O[6])(H)	O[6](C[6,6]C[5,6,6]C[5,6]H)(O[6]C[6])	H(C[6,6]C[5,6,6]C[5,6]O[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[5,6]C[3,5]C[5,6]C)(O[6]O[6])(H){3|H<1>,4|C<3>,4|C<4>}	O[6](C[6,6]C[5,6,6]C[5,6]H)(O[6]C[6]){1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[5,6,6]C[5,6]O[6])	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	107.6445	0.868	6	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:2:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(O[6]O[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.2644	0.042	5	107.2644	0.002	5	107.2644	0.002	5	107.6445	0.868	6	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:S[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(S[6]O[6]O)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6]C[3x6]C[6]H)(S[6]O[6]O){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	108.2715	0.053	2	108.2715	0.003	2	108.2715	0.003	2	107.9472	1.257	5	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]N[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]O[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]O[6]){4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	106.6430	0.000	1	106.6430	0.000	1	106.8570	0.092	2	107.9472	1.257	5	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]N[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.0710	0.000	1	107.0710	0.000	1	106.8570	0.092	2	107.9472	1.257	5	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]O[6]HH)(O[6]N[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	107.9472	1.257	5	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[3,6]C[6,6]O[6])	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3,6]C[6,6]O[6])	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3,6]-4:O[6]-2:H-1:	C[6,6]-4:Si[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[3,6]C[3,6]O[3]H)(O[6]Si[6])(H)	O[6](C[6,6]C[3,6]C[3x6]H)(Si[6]O[6]CC)	H(C[6,6]C[3,6]C[3x6]O[6])	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[3,6]C[3,6]O[3]H)(O[6]Si[6])(H){2|H<1>,2|O<2>,5|C<4>}	O[6](C[6,6]C[3,6]C[3x6]H)(Si[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3,6]C[3x6]O[6])	106.8690	0.000	1	106.8690	0.000	1	106.8690	0.000	1	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,7|C<4>}	O[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[3x6]C[6]H){1|O<2>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	107.7040	0.000	1	107.7040	0.000	1	107.7040	0.000	1	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]CC){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	109.6900	0.000	1	109.6900	0.000	1	108.6859	1.215	8	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CO)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)	H(C[6,6]C[3x6]C[6]O[6])	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[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO){1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	106.6410	0.000	1	106.6410	0.000	1	108.6859	1.215	8	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CO)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[3x6]C[6]O[6])	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[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	108.2310	0.000	1	108.2310	0.000	1	108.6859	1.215	8	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[3x6]C[6]O[6])	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[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.9690	0.000	1	108.9690	0.000	1	108.6859	1.215	8	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[3x6]C[6]O[6])	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[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	109.9870	0.000	1	109.9870	0.000	1	108.6859	1.215	8	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]O[6])	108.1850	0.000	2	108.1850	0.000	2	108.6859	1.215	8	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]N[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[6,6a]N[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6]O[6])	109.5990	0.000	1	109.5990	0.000	1	108.6859	1.215	8	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:Si[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(O[6]Si[6])(H)	O[6](C[6,6]C[3x6]C[6]H)(Si[6]O[6]CC)	H(C[6,6]C[3x6]C[6]O[6])	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(O[6]Si[6])(H){2|H<1>,2|O<2>,6|C<4>}	O[6](C[6,6]C[3x6]C[6]H)(Si[6]O[6]CC){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6]O[6])	105.9360	0.000	1	105.9360	0.000	1	105.9360	0.000	1	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H)	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6])	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H){1|C<3>,3|O<2>,4|H<1>,5|C<4>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6]){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[6]O[6])	107.7110	0.000	1	107.5570	0.047	2	107.5570	0.047	2	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H)	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6])	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[5,6])(H){3|O<2>,4|H<1>,6|C<4>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5]2O[6]){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[5,3x6]C[6]O[6])	107.4030	0.000	1	107.5570	0.047	2	107.5570	0.047	2	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]C[6])(H){3|O<2>,4|H<1>,6|C<4>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]O[6]CC){2|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	107.7130	0.000	1	107.7130	0.000	1	106.9370	1.204	2	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-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)	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[5,3x6]C[6]O[6])	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[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH){2|C<4>,2|H<1>,4|O<2>}	H(C[6,6]C[5,3x6]C[6]O[6])	106.1610	0.000	1	106.1610	0.000	1	106.9370	1.204	2	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:Si[6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H)	O[6](C[6,6]C[5,3x6]C[6]H)(Si[6]O[6]CC)	H(C[6,6]C[5,3x6]C[6]O[6])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[6]C[5,6]HH)(O[6]Si[6])(H){1|O<1>,2|H<1>,3|O<2>,6|C<4>}	O[6](C[6,6]C[5,3x6]C[6]H)(Si[6]O[6]CC){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[6]O[6])	106.1495	0.110	2	106.1495	0.012	2	106.1495	0.012	2	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[5,5,6]C[6,6]O[6])	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[6,6]C[5,5,6]C[6,6]O[6])	108.2770	0.000	2	107.9135	0.176	4	107.9135	0.176	4	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[5,5,6]C[6,6]O[6])	C[6,6](C[5,5,6]C[5,5,6]O[5]2)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	O[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[6,6]C[5,5,6]C[6,6]O[6])	107.5500	0.000	2	107.9135	0.176	4	107.9135	0.176	4	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CH)	H(C[6,6]C[5,6,6]C[6,6]O[6])	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]O[6])	108.2935	0.217	2	108.2935	0.047	2	108.2935	0.047	2	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(O[6]C[5,6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[5]H)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]O[5,6]C[5]H){4|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6]O[6])	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,3|C<4>,3|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]O[6])	107.6910	0.000	1	107.6910	0.000	1	108.3245	0.803	2	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]O[6])(C[6]C[6a]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[5,6,6]C[6]O[6])	C[6,6](C[5,6,6]O[5,6]C[5]O[6])(C[6]C[6a]O[6]H)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[5,6,6]C[6]O[6])	108.9580	0.000	1	108.9580	0.000	1	108.3245	0.803	2	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[5,3x6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6,6]HH)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[5,3x6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6,6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.0190	0.000	1	108.0190	0.000	1	109.4575	1.533	20	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	106.5150	0.000	1	106.5150	0.000	1	109.4575	1.533	20	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|H<1>,3|O<2>,5|C<4>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.3517	0.202	3	109.3517	0.041	3	109.4575	1.533	20	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|N<2>,4|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.4290	0.000	1	109.4290	0.000	1	109.4575	1.533	20	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	111.5420	0.000	1	111.5420	0.000	1	109.4575	1.533	20	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,4|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	111.7110	0.000	1	110.1946	0.799	5	109.4575	1.533	20	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.9950	0.344	2	110.1946	0.799	5	109.4575	1.533	20	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.8280	0.000	1	110.1946	0.799	5	109.4575	1.533	20	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.4440	0.000	1	110.1946	0.799	5	109.4575	1.533	20	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|O<2>,3|H<1>,4|C<4>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.9350	0.213	4	109.9350	0.045	4	109.4575	1.533	20	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.8110	0.000	2	109.8110	0.000	2	109.4575	1.533	20	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2H)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6]C[6,6]O[6])	107.6275	0.189	2	107.6275	0.036	2	109.4575	1.533	20	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:S[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[3,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]S[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(S[6]O[6]CC)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[3,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]S[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[6,6]C[5,6]C[6,6]H)(S[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:Si[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.0270	0.000	1	109.0270	0.000	1	109.2782	0.689	4	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:Si[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC)	H(C[6,6]C[5,6]C[6,6]O[6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]H)(O[6]Si[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	109.2470	0.000	1	109.2470	0.000	1	109.2782	0.689	4	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:Si[6]-4:	C[6,6]-4:	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[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC)	H(C[6,6]C[5,6]C[6,6]O[6])	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[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	108.4290	0.000	1	108.4290	0.000	1	109.2782	0.689	4	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:Si[6]-4:	C[6,6]-4:	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[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC)	H(C[6,6]C[5,6]C[6,6]O[6])	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[6](C[6,6]C[5,6]C[6,6]H)(Si[6]O[6]CC){1|C<4>,1|S<3>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6]C[6,6]O[6])	110.4100	0.000	1	110.4100	0.000	1	109.2782	0.689	4	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H){2|O<2>,5|H<1>,6|C<4>}	O[6](C[6,6]C[6,6]2H)(C[6]O[6]CC){2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2O[6])	108.3820	0.000	1	108.3820	0.000	1	110.1148	2.242	8	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(O[6]C[6])(H){2|O<2>,5|H<1>,6|C<4>}	O[6](C[6,6]C[6,6]2H)(C[6]O[6]CC){2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2O[6])	109.0947	0.077	3	109.0947	0.006	3	110.1148	2.242	8	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]CO)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]2H)(C[6]C[6]CO){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]2O[6])	110.4480	0.000	1	110.4480	0.000	1	110.1148	2.242	8	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	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[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)	H(C[6,6]C[6,6]2O[6])	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[6](C[6,6]C[6,6]2H)(C[6]O[6]CC){1|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]2O[6])	112.9610	0.000	1	112.9610	0.000	1	110.1148	2.242	8	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)	H(C[6,6]C[6,6]2O[6])	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|C<3>,2|H<1>,3|C<4>,4|O<2>}	O[6](C[6,6]C[6,6]2H)(C[6]C[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6,6]C[6,6]2O[6])	110.9215	0.211	2	110.9215	0.045	2	110.1148	2.242	8	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[3,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[3,6])(H)	O[6](C[3,6]C[3,5,6]C[3,5]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[3,6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	O[6](C[3,6]C[3,5,6]C[3,5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0060	0.000	1	109.0060	0.000	1	109.0060	0.000	1	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[3x6])(H)	O[6](C[3x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[3x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]H){1|O<2>,2|C<3>,3|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.1030	0.000	1	108.1030	0.000	1	108.1030	0.000	1	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]BrH)(O[6]C[5,6])(H)	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]BrH)(O[6]C[5,6])(H){1|Br<1>,3|H<1>,6|C<4>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|Br<1>,1|O<2>,3|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.1220	0.000	1	108.1220	0.000	1	109.4263	1.107	10	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){1|Si<4>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.7980	0.000	1	110.7980	0.000	1	109.4263	1.107	10	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]H){1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.4430	0.000	1	107.4430	0.000	1	109.4263	1.107	10	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0130	0.000	1	109.0130	0.000	1	109.4263	1.107	10	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1330	0.000	1	109.3810	0.123	2	109.4263	1.107	10	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H){3|C<4>,3|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6290	0.000	1	109.3810	0.123	2	109.4263	1.107	10	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8033	0.177	3	109.8033	0.031	3	109.4263	1.107	10	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[5,6])(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.7150	0.000	1	110.7150	0.000	1	109.4263	1.107	10	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,4|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6]){1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.4120	0.524	4	108.4706	0.223	5	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,4|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6]){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.7050	0.000	1	108.4706	0.223	5	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]H){1|C<3>,5|C<4>,8|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8640	0.000	1	108.8640	0.000	1	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6415	0.204	2	109.6415	0.042	2	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]N[6])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<4>}	O[6](C[6,6]C[6,6]C[6]N[6])(C[6,6]C[6,6]C[6]H){1|N<3>,1|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.0550	0.000	1	109.0550	0.000	1	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)2{2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.0270	0.000	1	107.0270	0.000	1	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)2{2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.9640	0.000	1	107.9640	0.000	1	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H){1|N<2>,1|S<2>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0980	0.000	1	109.0980	0.000	1	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H){2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.1420	0.000	1	109.1420	0.000	1	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)2{1|C<3>,1|C<4>,3|O<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0440	0.210	4	109.0797	0.030	6	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)2{2|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1950	0.000	1	109.0797	0.030	6	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(H){3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)2{2|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1070	0.000	1	109.0797	0.030	6	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|C<4>,1|N<3>,1|O<2>,1|P<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]N[6]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6140	0.000	1	108.6140	0.000	1	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)2	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6,6])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)2{1|C<3>,1|C<4>,3|O<2>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3222	0.250	4	109.3222	0.063	4	108.8820	0.382	24	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]O)(C[6]C[6]CC)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.8330	0.000	1	108.8330	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HS)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[3,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HS){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4720	0.000	1	109.4720	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,3|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.7425	0.255	4	110.7425	0.065	4	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.6110	0.000	1	109.1993	0.159	4	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.3953	0.092	3	109.1993	0.159	4	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.3305	0.108	2	108.5060	0.098	3	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|Si<4>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8570	0.000	1	108.5060	0.098	3	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4020	0.000	2	109.8200	0.505	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5650	0.000	1	109.8200	0.505	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	111.3660	0.000	1	109.8200	0.505	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9110	0.000	1	109.8200	0.505	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6380	0.560	3	109.8200	0.505	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HS)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HS){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.0990	0.016	2	110.0990	0.000	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[5a,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HO){2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.1560	0.000	1	110.1560	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.6540	0.000	1	107.6540	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.6160	0.000	1	107.8381	0.375	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.8699	0.654	7	107.8381	0.375	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.0175	0.497	2	107.0175	0.247	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.6440	0.000	1	107.1108	2.389	11	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.0575	1.618	10	107.1108	2.389	11	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	105.7785	0.469	2	105.7785	0.220	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,2|S<2>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2470	0.000	1	109.2470	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	103.1190	0.000	1	103.1190	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.6113	1.799	6	107.9643	3.569	7	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.0820	0.000	1	107.9643	3.569	7	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.5177	1.172	10	108.5177	1.374	10	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4350	0.000	1	109.4350	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO){2|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	107.4300	0.000	1	107.4300	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]FeH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]FeH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH){1|Fe<7>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.4680	0.000	1	106.4680	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5120	0.000	1	109.5870	0.011	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.6620	0.000	1	109.5870	0.011	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	106.8050	0.000	1	106.8050	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H){2|H<1>,7|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.3500	0.000	1	107.3500	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,8|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2680	0.000	1	109.2680	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.5560	0.000	1	107.5560	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	107.7075	0.565	2	107.7075	0.319	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.2840	0.000	2	110.2840	0.000	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|C<2>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6890	0.000	1	109.6890	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0390	0.000	1	109.0390	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	106.4990	0.000	1	106.4990	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH){1|S<4>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.7010	0.000	1	108.7010	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4800	0.062	2	108.9025	0.505	4	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|H<1>,5|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.3250	0.420	2	108.9025	0.505	4	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HP)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|P<4>,1|S<3>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HP){1|Co<5>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5180	0.000	1	109.5180	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.4880	0.066	2	109.4880	0.004	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|F<1>,1|O<2>,1|S<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.8090	0.000	1	108.8090	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6710	0.000	1	109.6710	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[5a]C[6]H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]N[6]O[6])(C[6]C[5a]C[6]H)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.5250	0.000	1	109.5250	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.0220	0.000	1	107.0220	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	107.8985	0.380	2	107.8985	0.144	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,6|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.6460	0.000	2	110.6460	0.000	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	109.7100	0.000	1	109.7100	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	105.2000	0.000	1	105.2000	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.5340	0.000	1	108.5340	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2690	0.178	3	109.2690	0.032	3	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0990	0.315	2	109.0990	0.099	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5,6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.7950	0.000	1	109.7950	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0200	0.000	1	109.0200	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1080	0.000	1	109.1080	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	108.8190	0.550	7	108.9389	0.283	9	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HN)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.3585	0.008	2	108.9389	0.283	9	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.9720	0.116	2	109.0735	0.106	12	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.0938	0.354	10	109.0735	0.106	12	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.4760	0.397	4	108.4760	0.158	4	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.6340	0.079	4	109.6340	0.006	4	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.4035	0.657	2	109.4035	0.432	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FF)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FF)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|H<1>,2|F<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.0760	0.000	2	109.0760	0.000	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FH)(O[6]C[6])(H){1|F<1>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|F<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8295	0.173	2	109.8295	0.030	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H){2|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6275	0.026	2	108.6275	0.001	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<2>,3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2603	0.182	6	109.1860	0.060	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9630	0.352	2	109.1860	0.060	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6440	0.000	1	109.3460	0.099	3	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0170	0.000	1	109.3460	0.099	3	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3770	0.000	1	109.3460	0.099	3	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7530	0.296	2	109.5411	0.082	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|F<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5180	0.000	2	109.5411	0.082	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5135	0.366	2	109.5411	0.082	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3800	0.455	2	109.5411	0.082	8	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.6310	0.000	1	108.6310	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0987	1.138	4	109.0987	1.296	4	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(H){1|S<4>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.3730	0.362	4	108.3730	0.131	4	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){2|H<1>,3|C<4>,3|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.4155	0.278	2	109.4155	0.077	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.0510	0.957	2	109.3561	0.614	11	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.1930	0.000	1	109.3561	0.614	11	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5540	0.737	7	109.3561	0.614	11	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7440	0.000	1	109.3561	0.614	11	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HN)(O[6]C[6])(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5900	0.000	1	109.5900	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.0710	0.000	1	109.0710	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2800	0.000	1	108.9070	0.239	7	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.1745	0.678	2	108.9070	0.239	7	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.8015	0.295	2	108.9070	0.239	7	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.5585	0.585	2	108.9070	0.239	7	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.3060	0.000	1	109.3060	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]C)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]C){1|Cr<9>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.0410	0.000	1	109.0410	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H){1|Cr<9>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6]C[6]O[6])	109.1663	0.421	6	109.1663	0.177	6	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	110.0697	1.347	3	109.2325	0.681	27	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.0178	0.511	10	109.2325	0.681	27	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	110.0980	0.091	2	109.2325	0.681	27	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.0794	0.851	11	109.2325	0.681	27	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.8220	0.000	1	109.2325	0.681	27	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.8720	0.177	2	109.6850	0.121	3	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.3110	0.000	1	109.6850	0.121	3	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.5270	0.000	1	108.8942	1.058	17	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.8679	0.368	8	108.8942	1.058	17	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.9665	1.502	8	108.8942	1.058	17	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HS)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HS)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.2940	0.270	2	110.2940	0.073	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.3540	0.040	2	109.6358	0.080	6	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.7767	0.231	4	109.6358	0.080	6	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4410	0.000	1	110.3520	2.958	4	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.0305	2.329	2	110.3520	2.958	4	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	111.9060	0.000	1	110.3520	2.958	4	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8180	0.000	1	109.8180	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9720	0.000	1	109.2477	0.665	13	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,1|O<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9884	0.663	9	109.2477	0.665	13	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7840	1.113	3	109.2477	0.665	13	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.1150	0.000	1	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.0630	0.000	1	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|F<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|F<1>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.8645	0.636	2	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9480	0.000	1	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5830	0.610	2	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9050	0.000	1	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9080	0.000	1	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.1723	0.304	7	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2890	0.434	2	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.9050	1.894	3	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6102	0.609	8	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	111.3335	1.466	2	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.4838	0.421	17	109.7314	0.548	48	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.3590	0.000	1	109.7029	0.799	7	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6280	0.000	1	109.7029	0.799	7	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	110.7830	0.000	1	109.7029	0.799	7	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.5375	1.064	4	109.7029	0.799	7	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a]C[6]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a]C[6]H){2|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.7175	0.482	2	109.7175	0.232	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|C<4>,2|H<1>,4|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	113.1380	0.000	1	113.1380	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HS)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HS)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|S<2>,2|C<4>,2|H<1>,3|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.4680	0.000	1	109.4680	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(C[6]O[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.6410	0.335	2	109.6410	0.112	2	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2590	0.000	1	109.2590	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.8070	0.000	1	108.8070	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.2335	0.094	2	109.4483	0.143	3	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	109.8780	0.000	1	109.4483	0.143	3	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<4>,3|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	109.2073	0.412	3	109.2073	0.170	3	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]O[6]S[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]O)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]O){1|C<4>,1|S<3>,2|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]O[6])	108.9610	0.000	1	108.9610	0.000	1	109.0914	1.311	348	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:P[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HO)(O[6]P[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(P[6]O[6]OO)	H(C[6,6]C[6,6]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(P[6]O[6]OO){2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]O[6])	108.8500	0.000	1	108.8500	0.000	1	108.8500	0.000	1	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H){1|H<1>,4|C<4>,5|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.2485	0.186	2	108.2485	0.035	2	108.3263	0.035	3	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6,6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2H)(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H)	H(C[6,6]C[6,6]C[6]O[6])	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	H(C[6,6]C[6,6]C[6]O[6])	108.4820	0.000	1	108.4820	0.000	1	108.3263	0.035	3	109.0443	1.357	448	108.9009	1.518	692	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:1:1:	4:4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(H)2	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)	H(C[6]O[6]2H)	C[6](O[6]C[5,6])(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]O[6]2H)	109.3550	0.018	2	109.3550	0.000	2	109.3550	0.000	2	109.1809	1.770	45	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:1:1:	4:4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	H(C[6]O[6]2H)	C[6](O[6]C[6,6])(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){1|N<3>,2|C<4>,3|H<1>}	H(C[6]O[6]2H)	109.4290	0.000	1	109.4290	0.000	1	108.6553	2.608	19	109.1809	1.770	45	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:1:1:	4:4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])2(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	H(C[6]O[6]2H)	C[6](O[6]C[6,6])2(H)2{2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]O[6]2H)	108.5048	1.725	16	108.5048	2.977	16	108.6553	2.608	19	109.1809	1.770	45	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:1:1:	4:4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HH)	H(C[6]O[6]2H)	C[6](O[6]C[6,6a])(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	H(C[6]O[6]2H)	109.4725	0.009	2	109.4725	0.000	2	108.6553	2.608	19	109.1809	1.770	45	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:1:1:	4:4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]O[6]HH)	H(C[6]O[6]2H)	C[6](O[6]C[5,6])(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]O[6]2H)	109.3410	0.000	1	109.3410	0.000	1	109.5825	0.946	24	109.1809	1.770	45	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:1:1:	4:4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]HH)	H(C[6]O[6]2H)	C[6](O[6]C[6,6])(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]HH){1|C<4>,1|H<1>,1|N<3>}	H(C[6]O[6]2H)	109.4510	0.023	2	109.4510	0.001	2	109.5825	0.946	24	109.1809	1.770	45	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:1:1:	4:4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(H)2	O[6](C[6]C[6]CH)(C[6]O[6]HH)	H(C[6]O[6]2H)	C[6](O[6]C[6])2(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]HH){1|C<4>,2|H<1>}	H(C[6]O[6]2H)	109.3515	0.019	2	109.3515	0.000	2	109.5825	0.946	24	109.1809	1.770	45	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:1:1:	4:4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(H)2	O[6](C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]O[6]2H)	C[6](O[6]C[6])2(H)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,1|N<2>,1|O<2>}	H(C[6]O[6]2H)	109.3730	0.006	2	109.6334	1.195	19	109.5825	0.946	24	109.1809	1.770	45	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:1:1:	4:4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(H)2	O[6](C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]O[6]2H)	C[6](O[6]C[6])2(H)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,2|H<1>}	H(C[6]O[6]2H)	109.7017	1.230	15	109.6334	1.195	19	109.5825	0.946	24	109.1809	1.770	45	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:1:1:	4:4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(H)2	O[6](C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]O[6]2H)	C[6](O[6]C[6])2(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,2|H<1>}	H(C[6]O[6]2H)	109.3815	0.021	2	109.6334	1.195	19	109.5825	0.946	24	109.1809	1.770	45	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:2:1:	4:4:	4:	O[6]-2:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(OC)(H)	O[6](C[6]C[6]HH)(C[6]O[6]HO)	H(C[6]O[6]2O)	C[6](O[6]C[6])2(OC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HO){1|C<4>,1|H<1>,1|N<3>}	H(C[6]O[6]2O)	109.9560	0.068	2	109.9560	0.005	2	109.9560	0.005	2	109.9560	0.005	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:3:1:	4:4:	4:	O[6]-2:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H){2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]O[6]2C)	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[3x6])2(CH3)(H)	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[3x6])2(CH3)(H){2|H<1>,3|C<4>}	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]O[6]2C)	110.0930	0.000	1	110.0930	0.000	1	110.0930	0.000	1	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CCHH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6])(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]O[6]2C)	109.0550	2.367	3	109.0550	5.603	3	109.3379	1.520	19	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]O[6]2C)	109.3184	1.083	14	109.3910	1.058	16	109.3379	1.520	19	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){2|H<1>,4|C<4>}	H(C[6]O[6]2C)	109.8995	0.117	2	109.3910	1.058	16	109.3379	1.520	19	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6])(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]O[6]2C)	106.6527	1.445	3	106.6527	2.088	3	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]O[6]2C)	109.4826	0.873	14	109.5380	0.685	16	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){3|C<4>}	H(C[6]O[6]2C)	109.9260	0.158	2	109.5380	0.685	16	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CC3)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){3|C<4>}	H(C[6]O[6]2C)	108.9175	0.040	2	108.9175	0.002	2	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CC3)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]O[6]2C)	109.1854	0.129	5	109.2139	0.014	7	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CC3)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){3|C<4>}	H(C[6]O[6]2C)	109.2850	0.025	2	109.2139	0.014	7	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	O[6](C[6]C[6]HN)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CC3)(H){1|C<3>,1|N<2>,2|H<1>}	O[6](C[6]C[6]HN)(C[6]O[6]CH){1|C<3>,1|C<4>}	H(C[6]O[6]2C)	109.1410	0.000	1	109.1410	0.000	1	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){3|C<4>}	H(C[6]O[6]2C)	109.8080	0.000	1	109.8080	0.000	1	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CCCH)(H)	O[6](C[6]C[6]HO)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]O[6]CH){3|C<4>}	H(C[6]O[6]2C)	109.7800	0.000	1	109.7800	0.000	1	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,2|H<1>}	H(C[6]O[6]2C)	109.0220	0.000	1	109.0220	0.000	1	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,2|H<1>}	H(C[6]O[6]2C)	109.4996	0.320	20	109.5114	0.084	28	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|H<1>,2|C<4>}	H(C[6]O[6]2C)	109.5345	0.042	2	109.5114	0.084	28	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){3|C<4>}	H(C[6]O[6]2C)	109.6452	0.039	5	109.5114	0.084	28	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,2|H<1>}	H(C[6]O[6]2C)	109.0330	0.000	1	109.5114	0.084	28	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]O[6]2C)	109.8990	0.000	1	109.4491	0.388	8	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,2|H<1>}	H(C[6]O[6]2C)	109.2838	0.751	5	109.4491	0.388	8	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]O[6]2C)	109.6375	0.223	2	109.4491	0.388	8	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]O[6]2C)	109.9170	0.000	1	109.7177	0.051	3	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]O[6]2C)	109.6180	0.205	2	109.7177	0.051	3	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	O[6](C[6]C[6]HN)(C[6]O[6]CH)	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HN)(C[6]O[6]CH){1|C<4>,2|H<1>}	H(C[6]O[6]2C)	109.4400	0.397	5	109.4400	0.157	5	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:2:4:1:	4:4:	4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	O[6](C[6]O[6]CH)2	H(C[6]O[6]2C)	C[6](O[6]C[6])2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]O[6]CH)2{1|C<4>}	H(C[6]O[6]2C)	108.7882	1.282	24	108.7882	1.644	24	109.2183	0.895	100	109.2445	0.983	120	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]C[6]H)(H)2	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>}	O[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6]O[6]H)	109.2395	0.012	2	109.2395	0.000	2	109.2395	0.000	2	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]C)(H)2	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6])(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[6]O[6]H)	109.1400	0.339	2	109.1400	0.115	2	109.2631	0.030	8	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]H)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6])(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2445	0.005	2	109.2445	0.000	2	109.2631	0.030	8	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	109.1980	0.000	1	109.3340	0.014	4	109.2631	0.030	8	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.3793	0.093	3	109.3340	0.014	4	109.2631	0.030	8	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.1547	0.119	6	109.1547	0.014	6	108.6782	0.747	36	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2	O[6](C[6,6]O[6]3)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2{2|H<1>,3|O<2>}	O[6](C[6,6]O[6]3)(C[6]C[6]HH){1|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	107.4447	2.239	4	107.4447	5.014	4	108.6782	0.747	36	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.0590	0.024	2	109.0590	0.001	2	108.6782	0.747	36	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.9940	0.014	2	108.9940	0.000	2	108.6782	0.747	36	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	108.7715	0.040	2	108.7715	0.002	2	108.6782	0.747	36	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2{2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.6000	0.000	1	108.6000	0.000	1	108.6782	0.747	36	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]O[6]H)	108.8980	0.023	2	108.8980	0.001	2	108.6782	0.747	36	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]S)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]S)(H)2{2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0598	0.073	4	109.0598	0.005	4	108.6782	0.747	36	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|H<1>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	108.4475	0.048	4	108.4570	0.002	5	108.6782	0.747	36	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	108.4950	0.000	1	108.4570	0.002	5	108.6782	0.747	36	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]O[6]H)	108.1960	0.010	2	108.6423	0.302	8	108.6782	0.747	36	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]O[6]H)	108.7910	0.563	6	108.6423	0.302	8	108.6782	0.747	36	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:1:1:	4:4:	4:	O[6]-2:N[6]-3:H-1:H-1:	B[3x6]-4:C[6]-4:	C[6]-4:	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<4>}	O[6](B[3x6]C[6,6]2N[6])(C[6]N[6]HH){1|C<3>,2|H<1>,6|C<4>}	H(C[6]N[6]O[6]H)	109.5220	0.081	4	109.5220	0.007	4	109.5220	0.007	4	108.8617	0.631	50	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:2:1:	4:4:	4:	O[6]-2:C[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]N[6]C)(CN)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6])(C[6]N[6]C)(CN)(H){1|Ni<4>,1|H<1>,2|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH){1|N<3>,4|C<3>}	H(C[6]C[6]O[6]C)	108.7020	0.610	2	108.7020	0.372	2	108.7020	0.372	2	108.2700	0.490	4	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:2:1:	4:4:	4:	O[6]-2:C[6]-3:C-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CN)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CN)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	107.4190	0.000	1	107.4190	0.000	1	107.4190	0.000	1	108.2700	0.490	4	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:2:1:	4:4:	4:	O[6]-2:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]N[6]C)(OC)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[5,6])(C[6]N[6]C)(OC)(H){1|H<1>,2|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO){1|N<2>,4|C<3>}	H(C[6]C[6]O[6]O)	108.2570	0.000	1	108.2570	0.000	1	108.2570	0.000	1	108.2700	0.490	4	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:3:1:	4:4:	4:	O[6]-2:C[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CNO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	106.3740	1.054	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:3:1:	4:4:	4:	O[6]-2:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H){1|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH){1|S<4>,3|C<4>,3|H<1>}	H(C[6]N[6]O[6]C)	105.6480	0.000	1	105.6480	0.000	1	105.6480	0.000	1	106.3740	1.054	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:4:1:	4:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]O)(CH3)(H)	O[6](C[5,6,6]C[5,5,6]S[5,6]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6,6])(C[6]O[6]O)(CH3)(H){1|S<2>,2|C<4>}	O[6](C[5,6,6]C[5,5,6]S[5,6]C[6])(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	107.8730	0.000	1	107.8730	0.000	1	107.8730	0.000	1	108.5492	1.391	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:4:1:	4:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H){2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.1450	0.000	1	108.1450	0.000	1	108.4273	0.203	3	108.5492	1.391	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:4:1:	4:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]C)	108.5685	0.535	2	108.5685	0.287	2	108.4273	0.203	3	108.5492	1.391	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:4:1:	4:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	110.3865	1.060	2	110.3865	1.124	2	108.7228	2.286	6	108.5492	1.391	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:4:1:	4:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	106.7360	0.000	1	106.7360	0.000	1	108.7228	2.286	6	108.5492	1.391	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:4:1:	4:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.1230	0.290	2	108.1230	0.084	2	108.7228	2.286	6	108.5492	1.391	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:3:4:1:	4:4:	4:	O[6]-2:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H)	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H){1|O<2>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]CH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]O[6]C)	108.5820	0.000	1	108.5820	0.000	1	108.7228	2.286	6	108.5492	1.391	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	B[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]B[5,6,6])(C[6]C[6]HH)(H)2	O[6](B[5,6,6]C[5,6a]N[5,6]N[6,6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]B[5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>}	O[6](B[5,6,6]C[5,6a]N[5,6]N[6,6])(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.2115	0.013	2	109.2115	0.000	2	109.2115	0.000	2	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[3,6,6])(C[6]C[6]HH)(H)2	O[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[3,6,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.4585	0.019	2	109.4585	0.000	2	109.4585	0.000	2	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[3x5,6])(C[6]C[6]HH)(H)2	O[6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[3x5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[3x5,6]C[5,5,6]C[5,5]O[5,5])(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.0410	0.037	4	109.0410	0.001	4	109.0410	0.001	4	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5,4x6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,4x6])(C[6]C[6]HH)(H)2	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,4x6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.9465	0.016	2	109.9465	0.000	2	109.9465	0.000	2	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2	O[6](C[5,5,6,6]C[3x5,6]C[5,6]N[5,6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[5,5,6,6]C[3x5,6]C[5,6]N[5,6])(C[6]C[6]HH){1|O<1>,1|S<4>,2|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	109.0365	0.443	2	107.4920	4.865	4	107.4920	4.865	4	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2	O[6](C[5,5,6,6]C[3x5,6]C[5,6]N[5,6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	O[6](C[5,5,6,6]C[3x5,6]C[5,6]N[5,6])(C[6]C[6]HH){1|O<2>,1|S<4>,3|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	105.9475	2.204	2	107.4920	4.865	4	107.4920	4.865	4	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,5,6])(C[6]C[6]HH)(H)2	O[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,5,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.2550	0.000	1	109.2550	0.000	1	109.4482	0.012	5	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,5,6])(C[6]C[6]HH)(H)2	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,5,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.4965	0.012	4	109.4965	0.000	4	109.4482	0.012	5	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(H)2	O[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]O[6]H)	109.2731	0.079	7	109.2731	0.006	7	109.3979	0.910	21	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(H)2	O[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	O[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1412	0.039	4	109.1412	0.002	4	109.3979	0.910	21	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2	O[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	O[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>,3|N<3>}	H(C[6]C[6]O[6]H)	109.7475	0.717	4	109.7475	0.514	4	109.3979	0.910	21	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2	O[6](C[5,6,6]C[5,6,6]N[5]N[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2{1|C<4>,2|N<3>}	O[6](C[5,6,6]C[5,6,6]N[5]N[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	110.1472	0.378	4	110.1472	0.143	4	109.3979	0.910	21	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:1:1:	4:4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2	O[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	O[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	108.1500	3.158	2	108.1500	9.973	2	109.3979	0.910	21	109.1990	1.205	40	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:4:1:	5:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	In[6,6]-5:C[6]-4:	C[6]-4:	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H)	O[6](In[6,6]O[6]3O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H){2|C<4>,4|O<2>}	O[6](In[6,6]O[6]3O)(C[6]C[6]CH){1|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]O[6]C)	108.1105	0.330	2	108.1105	0.109	2	108.1105	0.109	2	108.1105	0.109	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	2:4:4:1:	6:4:	4:	O[6]-2:C[6]-4:C-4:H-1:	In[3x6]-6:C[6]-4:	C[6]-4:	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H)	O[6](In[3x6]O[6]5)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H){2|C<4>,5|O<2>}	O[6](In[3x6]O[6]5)(C[6]C[6]CH){2|C<4>,2|H<1>,3|P<4>}	H(C[6]C[6]O[6]C)	107.8487	0.624	3	107.8487	0.389	3	107.8487	0.389	3	107.8487	0.389	3	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(O[6]N[5,6])(H)2	O[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C)(O[6]N[5,6])(H)2{1|O<2>,2|C<4>}	O[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH){1|C<3>,4|C<4>}	H(C[6]C[6]O[6]H)	109.3150	0.000	1	109.3150	0.000	1	109.3150	0.000	1	108.3936	6.297	13	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|C<4>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.1292	2.839	10	108.1292	8.059	10	108.3168	6.786	12	108.3936	6.297	13	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	3:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]N[6])(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]O)(O[6]N[6])(H)2{1|C<4>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]O[6]H)	109.2550	0.020	2	109.2550	0.000	2	108.3168	6.786	12	108.3936	6.297	13	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:2:	4:	C[3x6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6])(O[6]O[6])(H)2	O[6](C[6]C[3x6]HH)(O[6]C[6])	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[4x6]C[6,6])(O[6]O[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[3x6]HH)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[3x6]O[6]H)	109.2755	0.029	2	109.2755	0.001	2	109.2755	0.001	2	108.8568	4.925	5	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:2:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6,6]C)(O[6]O[6])(H)2	O[6](C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C)(O[6]O[6])(H)2{2|C<4>}	O[6](C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	108.9740	0.000	1	108.9740	0.000	1	108.5777	9.558	3	108.8568	4.925	5	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:2:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6]C)(O[6]O[6])(H)2	O[6](C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]O[6])(H)2{1|C<4>,1|H<1>}	O[6](C[6]C[6]HH)(O[6]C[6]){2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	108.3795	4.345	2	108.3795	18.881	2	108.5777	9.558	3	108.8568	4.925	5	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6,6]-3:O[6]-2:F-1:H-1:	C[6]-4:S[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H)	O[6](C[6]C[6,6]FH)(S[6]C[6]O)	H(C[6]C[6,6]O[6]F)	C[6](C[6,6]C[6,6a]C[6,6])(O[6]S[6])(F)(H){1|O<1>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6]FH)(S[6]C[6]O){2|C<3>,2|H<1>}	H(C[6]C[6,6]O[6]F)	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	108.9335	0.130	6	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6]C)(O[6]N[6])(H)2	O[6](C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]N[6])(H)2{1|C<3>,2|C<4>}	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0065	0.028	2	109.0065	0.001	2	109.0784	0.005	5	108.9335	0.130	6	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:3:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(H)2	O[6](C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|O<2>,2|C<4>}	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1263	0.034	3	109.1263	0.001	3	109.0784	0.005	5	108.9335	0.130	6	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[3x6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[5x6]C[6,6])(O[6]C[6])(H)2	O[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[5x6]C[6,6])(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[3x6]HH)(C[6]C[6,6]HH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3x6]O[6]H)	108.3270	0.614	2	108.3270	0.377	2	108.3270	0.377	2	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6,6])(H)2	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6,6])(H)2{2|C<3>,2|C<4>,2|N<3>}	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.6645	0.046	2	109.6645	0.002	2	109.9333	0.097	4	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6,6])(H)2	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[5,6]HH){1|H<1>,1|N<2>,1|N<3>,4|C<4>}	H(C[6]C[5,6]O[6]H)	110.2020	0.028	2	110.2020	0.001	2	109.9333	0.097	4	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6])(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<3>,1|N<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.0640	0.000	1	109.0640	0.000	1	109.5673	0.050	9	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.6303	0.127	8	109.6303	0.016	8	109.5673	0.050	9	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.6005	0.029	2	109.6005	0.001	2	109.6546	0.005	7	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	H(C[6]C[5,6]O[6]H)	109.5960	0.000	1	109.5960	0.000	1	109.6546	0.005	7	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[5,6]O[6]H)	109.6962	0.073	4	109.6962	0.005	4	109.6546	0.005	7	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[3x6])(H)2	O[6](C[3x6]C[6,6]2C[6])(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[3x6])(H)2{2|C<3>,2|C<4>,2|N<3>}	O[6](C[3x6]C[6,6]2C[6])(C[6]C[5a,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]O[6]H)	110.0845	0.012	2	110.0845	0.000	2	110.0845	0.000	2	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[5,6])(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5a,6]O[6]H)	110.0160	0.000	1	110.0160	0.000	1	109.7000	0.163	5	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(O[6]C[5,6])(H)2{2|C<4>,3|C<3>}	O[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[5a,6]HH){1|C<4>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]O[6]H)	109.9835	0.016	2	109.9835	0.000	2	109.7000	0.163	5	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5a,6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]O[6]H)	109.2585	0.019	2	109.2585	0.000	2	109.7000	0.163	5	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|N<2>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]O[6]H)	109.5630	0.000	1	109.5630	0.000	1	109.4607	0.009	3	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2{2|C<4>,2|H<1>,2|N<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[5a,6]O[6]H)	109.4095	0.047	2	109.4095	0.002	2	109.4607	0.009	3	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]N[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	O[6](C[6]C[5a,6]HH)(C[6]N[6]HH){1|C<4>,2|C<3>}	H(C[6]C[5a,6]O[6]H)	109.8462	0.092	14	109.8462	0.008	14	109.5179	1.083	34	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]O[6]H)	110.1115	0.021	4	110.1115	0.000	4	109.5179	1.083	34	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,2|N<2>,3|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[6]C[5a,6]O[6]H)	108.2795	2.760	2	108.2795	7.617	2	109.5179	1.083	34	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|N<2>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]O[6]H)	109.4578	0.490	4	109.4578	0.240	4	109.5179	1.083	34	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]O[6]H)	109.3860	0.024	2	109.0375	4.607	4	109.5179	1.083	34	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]O[6]H)	108.6890	3.651	2	109.0375	4.607	4	109.5179	1.083	34	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5a,6]O[6]H)	108.3450	1.940	2	108.9622	1.764	4	109.5179	1.083	34	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]O[6]H)	109.5795	0.060	2	108.9622	1.764	4	109.5179	1.083	34	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH){1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]O[6]H)	109.4635	0.057	2	109.4635	0.003	2	109.5179	1.083	34	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)2	O[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)2{2|H<1>,2|O<2>,3|C<4>}	O[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	108.5265	0.025	12	108.5265	0.001	12	108.5265	0.001	12	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	H(C[6]C[6,6]O[6]H)	109.4146	0.205	14	109.4146	0.042	14	109.1736	0.473	16	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	107.4865	0.203	2	107.4865	0.041	2	109.1736	0.473	16	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(H)2	O[6](C[3x6]C[6,6]N[6,6]C[6])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[6](C[3x6]C[6,6]N[6,6]C[6])(C[6]C[6,6a]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	110.2445	0.140	4	110.2445	0.020	4	110.2445	0.020	4	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,5]C[5,6]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	O[6](C[5,6]C[5,5]C[5,6]C[6a])(C[6]C[6,6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]O[6]H)	108.8590	0.163	4	108.8590	0.027	4	108.6863	0.925	19	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	108.9700	0.044	3	108.2486	3.550	5	108.6863	0.925	19	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6a]HH){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	107.1665	3.208	2	108.2486	3.550	5	108.6863	0.925	19	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]O[6]H)	109.2230	0.017	2	109.2230	0.000	2	108.6863	0.925	19	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]HH){5|C<3>}	H(C[6]C[6,6a]O[6]H)	108.4400	0.010	3	108.4400	0.000	3	108.6863	0.925	19	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,5|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]HH){7|C<3>}	H(C[6]C[6,6a]O[6]H)	108.4800	0.000	1	108.4800	0.000	1	108.6863	0.925	19	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	108.9943	0.077	3	108.9943	0.006	3	108.6863	0.925	19	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|F<1>,1|O<2>,4|C<3>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	H(C[6]C[6,6a]O[6]H)	109.1320	0.000	1	109.1320	0.000	1	108.6863	0.925	19	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.1925	0.012	2	108.9665	0.313	6	109.0699	0.261	29	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]O[6]H)	109.0225	0.012	2	108.9665	0.313	6	109.0699	0.261	29	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH){1|Fe<7>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	108.6845	1.139	2	108.9665	0.313	6	109.0699	0.261	29	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,4|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6,6a]HH){6|C<3>}	H(C[6]C[6,6a]O[6]H)	109.1030	0.116	4	109.1030	0.014	4	109.0699	0.261	29	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.9520	0.000	1	109.9520	0.000	1	109.0699	0.261	29	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH){5|C<3>}	H(C[6]C[6,6a]O[6]H)	110.2850	0.023	2	110.2850	0.001	2	109.0699	0.261	29	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]O[6]H)	108.9479	0.309	12	108.9479	0.096	12	109.0699	0.261	29	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]N[6,6]C[6]C)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[6](C[6,6]N[6,6]C[6]C)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	108.9490	0.021	2	108.9490	0.000	2	109.0699	0.261	29	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(O[6]C[6,6])(H)2{1|Br<1>,2|C<4>,3|C<3>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	108.5100	0.017	2	108.5100	0.000	2	109.0699	0.261	29	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:B[6,6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2{1|H<1>,2|C<3>,3|O<2>}	O[6](C[6]C[6,6a]HH)(B[6,6]O[6]3){1|C<4>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.3294	0.245	7	109.3294	0.060	7	109.3294	0.060	7	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH){1|Mn<8>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	109.2180	0.006	2	109.2628	0.020	6	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH){1|Re<8>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	109.2853	0.179	4	109.2628	0.020	6	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.2625	0.045	2	109.2625	0.002	2	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[5]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]C[5]H)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0065	0.016	2	109.0065	0.000	2	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0180	0.188	8	109.0420	0.030	10	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH){1|N<3>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.1380	0.016	2	109.0420	0.030	10	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0390	0.040	2	108.9034	0.536	27	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	106.9345	1.944	2	108.9034	0.536	27	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.1440	0.025	2	108.9034	0.536	27	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	108.9850	0.000	1	108.9034	0.536	27	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.1637	0.358	6	108.9034	0.536	27	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.0136	0.281	14	108.9034	0.536	27	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{3|C<3>,3|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<2>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.3975	0.022	2	109.3975	0.000	2	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO){1|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	108.9013	0.064	4	108.4336	2.361	8	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO){1|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	107.1115	3.441	2	108.4336	2.361	8	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO){3|C<3>}	H(C[6]C[6,6a]O[6]H)	108.8205	0.035	2	108.4336	2.361	8	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]N[6]CC)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]N[6]CC){1|H<1>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.2987	0.047	3	109.2987	0.002	3	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]N[6]CH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]N[6]CH){1|S<4>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0400	0.011	2	109.0400	0.000	2	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC){2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.6100	0.014	2	109.4848	0.013	15	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC){2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.4824	0.111	11	109.4848	0.013	15	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>}	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC){2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.3730	0.011	2	109.4848	0.013	15	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	108.7325	0.009	2	108.7325	0.000	2	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.2770	0.014	2	108.9421	0.126	9	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0577	0.102	4	108.9421	0.126	9	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){1|H<1>,5|C<3>}	H(C[6]C[6,6a]O[6]H)	108.4135	0.370	2	108.9421	0.126	9	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	108.8670	0.000	1	108.9421	0.126	9	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|N<3>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){5|C<3>}	H(C[6]C[6,6a]O[6]H)	110.3070	0.008	2	110.2805	0.002	4	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|N<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){1|Ru<8>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	110.2540	0.042	2	110.2805	0.002	4	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH){4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.5547	0.177	6	109.5547	0.031	6	109.1207	0.483	98	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2	O[6](C[6]C[6,6a]HH)(P[6]O[6]OO)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6]C[6,6a]HH)(P[6]O[6]OO){2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.2435	0.005	2	109.2435	0.000	2	109.2435	0.000	2	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]O)(O[6]C[5,6])(H)2	O[6](C[5,6]C[4,5,6]O[5]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]O)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	O[6](C[5,6]C[4,5,6]O[5]O)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>}	H(C[6]C[6]O[6]H)	108.6693	0.088	4	108.6693	0.008	4	108.7240	0.012	6	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]H)(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.8335	0.005	2	108.8335	0.000	2	108.7240	0.012	6	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]H)(O[6]C[6,6])(H)2	O[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]H)(O[6]C[6,6])(H)2{1|C<3>,3|C<4>}	O[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.5270	0.016	2	108.5270	0.000	2	108.8928	0.091	8	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]Se)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]Se)(O[6]C[6,6])(H)2{2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1420	0.168	4	109.1420	0.028	4	108.8928	0.091	8	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6])(H)2{2|C<4>,4|C<3>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.7600	0.007	2	108.7600	0.000	2	108.8928	0.091	8	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]C)(O[6]C[6])(H)2	O[6](C[6]C[4,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[4,6]HH)(C[6]C[6]HH){1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.4170	0.014	2	109.4170	0.000	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.3720	0.006	2	108.3720	0.000	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]O)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]H)	106.3520	0.287	2	106.3520	0.082	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.1195	0.062	2	109.1195	0.004	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]O)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[5,6,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]H)	108.6855	0.060	2	108.6855	0.004	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<2>,2|C<3>}	H(C[6]C[6]O[6]H)	109.6675	0.023	2	109.6675	0.001	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|F<1>}	O[6](C[6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	109.8415	0.145	4	109.8415	0.021	4	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	108.6790	0.017	2	108.6790	0.000	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	108.6900	0.000	1	108.6900	0.000	1	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.3235	0.013	2	109.3235	0.000	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1612	0.128	6	109.2929	0.042	15	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>}	O[6](C[6]C[6]HH)2{3|C<3>}	H(C[6]C[6]O[6]H)	109.3895	0.215	8	109.2929	0.042	15	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3100	0.000	1	109.2929	0.042	15	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,2|F<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.5990	0.000	1	107.9122	3.631	6	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,4|C<3>}	H(C[6]C[6]O[6]H)	109.4450	0.000	1	107.9122	3.631	6	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,5|C<3>}	H(C[6]C[6]O[6]H)	105.4975	0.060	2	107.9122	3.631	6	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.7170	0.008	2	107.9122	3.631	6	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9375	0.059	2	108.9375	0.003	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.9383	0.064	3	108.9248	0.002	6	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.9113	0.031	3	108.9248	0.002	6	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]O[6]H)	109.3970	0.042	2	109.3970	0.002	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<1>}	H(C[6]C[6]O[6]H)	109.9098	0.457	4	109.9098	0.209	4	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]S)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]S)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]O[6]H)	109.0680	0.000	1	109.0680	0.000	1	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|H<1>,2|C<4>,3|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	108.9230	0.018	2	108.9230	0.000	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6]HH)2{1|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	108.7460	0.011	2	108.7460	0.000	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	108.9550	0.035	2	108.9550	0.001	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]O)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]O)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.6820	0.016	4	108.6820	0.000	4	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(O[6]C[6])(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]O)(O[6]C[6])(H)2{1|H<1>,3|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	108.9285	0.009	2	108.9285	0.000	2	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|N<2>,2|C<3>}	H(C[6]C[6]O[6]H)	109.1933	0.051	3	109.1933	0.003	3	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]C)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.4445	0.016	2	109.4128	0.002	5	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]C)(O[6]C[6])(H)2{2|C<3>,2|C<4>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3917	0.035	3	109.4128	0.002	5	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	108.5072	0.193	6	108.7227	0.129	9	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,2|O<1>}	H(C[6]C[6]O[6]H)	109.1537	0.064	3	108.7227	0.129	9	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	109.0090	0.000	1	109.0090	0.000	1	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]H)(O[6]C[6])(H)2{1|C<3>,2|H<1>}	O[6](C[6]C[6]HH)2{1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3295	0.402	4	109.3295	0.161	4	108.9933	0.615	91	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:S[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2	O[6](C[6]C[6]HH)(S[6]N[6]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<1>}	O[6](C[6]C[6]HH)(S[6]N[6]OO){2|C<3>}	H(C[6]C[6]O[6]H)	110.0510	0.014	2	110.0510	0.000	2	110.0510	0.000	2	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	N[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(H)2	O[6](N[6]C[6]PtH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|Pt<4>,1|C<4>,2|H<1>}	O[6](N[6]C[6]PtH)(C[6]C[6]HH){1|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.8593	0.321	4	108.8593	0.103	4	108.8593	0.103	4	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	C[6]-3:O[6]-2:H-1:H-1:	Si[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(O[6]Si[6])(H)2	O[6](Si[6]O[6]CC)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C)(O[6]Si[6])(H)2{1|C<3>,1|O<2>,3|C<4>}	O[6](Si[6]O[6]CC)(C[6]C[6]HH){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	109.2060	0.008	2	109.2060	0.000	2	109.2060	0.000	2	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[4,5,5,6]C[5])(O[6]C[6])(H)2	O[6](C[6]N[5,6]HH)2	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[4,5,5,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	O[6](C[6]N[5,6]HH)2{1|C<4>,2|C<3>}	H(C[6]N[5,6]O[6]H)	109.5193	0.075	7	109.5193	0.006	7	109.4144	0.023	36	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2	O[6](C[6]N[5,6]HH)2	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	O[6](C[6]N[5,6]HH)2{1|C<4>,2|C<3>}	H(C[6]N[5,6]O[6]H)	109.3676	0.052	9	109.3676	0.003	9	109.4144	0.023	36	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	O[6](C[6]N[5,6]HH)2	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	O[6](C[6]N[5,6]HH)2{1|C<4>,2|C<3>}	H(C[6]N[5,6]O[6]H)	109.3987	0.184	20	109.3987	0.034	20	109.4144	0.023	36	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]N[6,6]HH)2	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,1|N<3>,6|H<1>}	O[6](C[6]N[6,6]HH)2{1|S<4>,2|C<4>}	H(C[6]N[6,6]O[6]H)	108.5110	1.075	2	108.5110	1.155	2	108.9975	3.393	6	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(O[6]C[6])(H)2	O[6](C[6]N[6,6]HH)2	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6]S[6])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	O[6](C[6]N[6,6]HH)2{1|S<4>,2|C<4>}	H(C[6]N[6,6]O[6]H)	109.8080	3.717	2	109.8080	13.813	2	108.9975	3.393	6	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]N[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6,6]HH)(C[6]N[6,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]N[6,6]O[6]H)	108.6735	0.037	2	108.6735	0.001	2	108.9975	3.393	6	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]N[6]HH){1|C<4>,2|C<3>}	H(C[6]N[6]O[6]H)	108.9426	0.050	14	108.9426	0.002	14	109.2076	1.625	44	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6,6]H)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]N[6]HH){1|H<1>,3|C<4>}	H(C[6]N[6]O[6]H)	108.4645	0.083	2	108.4645	0.007	2	109.2076	1.625	44	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,2|H<1>}	H(C[6]N[6]O[6]H)	109.4110	0.011	2	109.4110	0.000	2	109.2076	1.625	44	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]N[6]HH)2	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	O[6](C[6]N[6]HH)2{1|C<3>,2|C<4>}	H(C[6]N[6]O[6]H)	109.5209	2.079	16	109.4983	3.414	20	109.2076	1.625	44	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]N[6]HH)2	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	O[6](C[6]N[6]HH)2{1|C<3>,2|C<4>}	H(C[6]N[6]O[6]H)	109.4080	0.063	4	109.4983	3.414	20	109.2076	1.625	44	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]N[6]O[6]H)	108.6315	0.011	2	108.6315	0.000	2	109.2076	1.625	44	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]CC)(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]O)(O[6]C[6])(H)2{1|C<3>,3|C<4>}	O[6](C[6]C[6]CC)(C[6]N[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]N[6]O[6]H)	108.9005	0.008	2	108.9005	0.000	2	109.2076	1.625	44	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]S)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]S)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<4>}	H(C[6]N[6]O[6]H)	109.5790	0.008	2	109.5790	0.000	2	109.2076	1.625	44	109.1601	0.660	452	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:1:1:	5:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	P[3x6]-5:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O[6](P[3x6]C[3x6]O[6]2H)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.1350	0.143	6	109.1350	0.021	6	109.1350	0.021	6	109.1350	0.021	6	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:2:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H)	O[6](C[6]C[6a]O[6]H)(O[6]C[6,6])	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(O[6]C[6,6]){2|C<4>,3|C<3>}	H(C[6]C[6a]O[6]2)	110.8470	0.000	1	110.8470	0.000	1	109.5600	3.313	2	109.5600	3.313	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:2:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H)	O[6](C[6]C[6a]O[6]H)(O[6]C[6])	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(O[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]O[6]2)	108.2730	0.000	1	108.2730	0.000	1	109.5600	3.313	2	109.5600	3.313	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[5,6]-3:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]O)	109.8740	0.000	2	109.7540	0.043	3	109.7540	0.043	3	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[5,6]-3:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]O)	109.5140	0.000	1	109.7540	0.043	3	109.7540	0.043	3	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[5a,6]-3:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HO)	H(C[6]C[5a,6]O[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HO){2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[5a,6]O[6]O)	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[5a,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H)	O[6](C[6]C[5a,6]HO)(C[6]C[6]CH)	H(C[6]C[5a,6]O[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[5a,6]HO)(C[6]C[6]CH){1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[5a,6]O[6]O)	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H)	O[6](C[6]C[5a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[5a]O[6]2)	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6,6]HH){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5a]O[6]2)	109.8870	0.222	7	109.8870	0.049	7	109.7058	0.093	19	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H)	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	H(C[6]C[5a]O[6]2)	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[5a]O[6]2)	110.3610	0.000	1	109.6182	0.110	10	109.7058	0.093	19	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H)	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	H(C[6]C[5a]O[6]2)	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5a]O[6]2)	109.5357	0.218	9	109.6182	0.110	10	109.7058	0.093	19	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(O[6]C[6])2(H)	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	H(C[6]C[5a]O[6]2)	C[6](C[5a]C[5a]S[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|S<2>,3|C<4>}	H(C[6]C[5a]O[6]2)	109.5095	0.008	2	109.5095	0.000	2	109.7058	0.093	19	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6,6]-3:O[6]-2:O-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H)	O[6](B[6]C[6a]2O[6])(C[6]C[6,6]HO)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H){1|C<4>,1|O<2>,4|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6,6]HO){6|C<3>}	H(C[6]C[6,6]O[6]O)	109.6700	0.000	1	109.6700	0.000	1	109.6700	0.000	1	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[5,6]HO)(C[6]C[6,6]HO){1|C<3>,3|C<4>}	H(C[6]C[6,6]O[6]O)	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]O[6]O)	107.1895	0.107	2	107.1895	0.011	2	107.5860	0.477	3	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO){1|C<4>,5|C<3>}	H(C[6]C[6,6a]O[6]O)	108.3790	0.000	1	108.3790	0.000	1	107.5860	0.477	3	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]O)	105.0370	0.000	1	105.0370	0.000	1	106.9620	5.145	4	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H)	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]O)	107.6037	2.291	3	107.6037	5.247	3	106.9620	5.145	4	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H)	O[6](C[6]C[6]HN)(C[6]O[6]CH)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H){1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HN)(C[6]O[6]CH){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]N)	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]O)(O[6]C[6])(OC[6])(H){2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]O)	108.3240	0.230	3	108.3240	0.053	3	108.7321	0.299	17	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6a]C)(O[6]C[6])(OC[6a])(H){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO){3|C<3>}	H(C[6]C[6]O[6]O)	109.1420	0.000	1	109.1420	0.000	1	108.7321	0.299	17	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]O)	108.4350	0.000	1	108.4645	0.002	2	108.7321	0.299	17	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|H<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	108.4940	0.000	1	108.4645	0.002	2	108.7321	0.299	17	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	108.1735	0.218	2	108.1735	0.048	2	108.7321	0.299	17	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	108.1300	0.000	1	108.1300	0.000	1	108.7321	0.299	17	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]O[6]O)	109.2240	0.000	1	109.2240	0.000	1	108.7321	0.299	17	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]O)	109.1240	0.000	1	109.1240	0.000	1	108.7321	0.299	17	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|N<2>,2|C<3>}	H(C[6]C[6]O[6]O)	108.4100	0.202	2	108.4100	0.041	2	108.7321	0.299	17	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HO)2	H(C[6]C[6]O[6]O)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|Ni<4>,1|C<3>,1|H<1>,1|O<2>}	O[6](C[6]C[6]HO)2{1|N<3>,2|C<3>}	H(C[6]C[6]O[6]O)	109.4393	0.252	4	109.4393	0.064	4	108.7321	0.299	17	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6])(O[6]C[6])2(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]N[6])(O[6]C[6])2(H){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]2)	110.1480	0.038	2	110.1480	0.001	2	110.1480	0.001	2	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]H)(O[6]C[6])(SC[6a])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]S)	108.3165	1.237	2	108.3165	1.530	2	108.0660	0.953	3	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(SH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]O)(O[6]C[6])(SH)(H){1|C<1>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	107.5650	0.000	1	107.5650	0.000	1	108.0660	0.953	3	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.6450	0.074	2	109.7120	0.221	4	109.3175	1.222	20	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6a]O[6]H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.7790	0.800	2	109.7120	0.221	4	109.3175	1.222	20	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6a]O[6]2)	108.5420	1.567	3	109.2189	1.452	16	109.3175	1.222	20	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6a]O[6]2)	108.7430	1.622	2	109.2189	1.452	16	109.3175	1.222	20	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	111.3000	0.000	1	109.2189	1.452	16	109.3175	1.222	20	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6a]O[6]2)	109.5645	0.694	2	109.2189	1.452	16	109.3175	1.222	20	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]O[6]2)	109.6120	0.000	1	109.2189	1.452	16	109.3175	1.222	20	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]O[6]2)	109.4818	0.859	6	109.2189	1.452	16	109.3175	1.222	20	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6a]O[6]2)	107.4580	0.000	1	109.2189	1.452	16	109.3175	1.222	20	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6a]O[6]2)	109.2540	0.000	1	109.2540	0.000	1	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[6]C[6a]O[6]2)	109.3505	0.268	4	109.3505	0.072	4	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	H(C[6]C[6a]O[6]2)	109.8600	0.000	2	109.3269	0.536	9	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6a]O[6]2)	109.4570	0.000	1	109.3269	0.536	9	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.4340	0.000	1	109.3269	0.536	9	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]O[6]2)	109.3660	0.000	1	109.3269	0.536	9	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6a]O[6]2)	108.9912	1.039	4	109.3269	0.536	9	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6a]O[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]O[6]2)	108.7230	0.000	1	108.7230	0.000	1	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]O[6]2)	108.2033	2.153	3	109.2998	0.589	56	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]O[6]2)	108.8900	0.000	1	109.2998	0.589	56	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6a]O[6]2)	109.2630	0.000	1	109.2998	0.589	56	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6a]O[6]2)	109.8430	0.000	1	109.2998	0.589	56	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.5887	0.256	3	109.2998	0.589	56	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	110.0360	0.000	1	109.2998	0.589	56	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.5113	0.619	7	109.2998	0.589	56	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.8220	0.382	2	109.2998	0.589	56	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]O[6]2)	109.2413	0.210	3	109.2998	0.589	56	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6a]O[6]2)	109.3249	0.646	31	109.2998	0.589	56	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6a]O[6]2)	107.8140	0.000	1	109.2998	0.589	56	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6a]O[6]2)	109.2740	0.141	2	109.2998	0.589	56	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H){2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]O[6]2)	110.8020	0.000	1	110.8020	0.000	1	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6a]O[6]2)	109.3000	0.000	1	109.2475	0.006	2	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6a]O[6]H){2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6a]O[6]2)	109.1950	0.000	1	109.2475	0.006	2	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.6526	0.127	5	109.6526	0.016	5	109.3376	0.514	79	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6a]O[6]2)	110.5817	0.065	3	110.5817	0.004	3	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6a]O[6]2)	109.6243	0.154	4	109.6243	0.024	4	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CC)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|H<1>,4|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CC){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]O[6]2)	113.8440	0.000	1	113.8440	0.000	1	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]O[6]2)	109.5830	0.000	1	109.5099	0.599	7	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]O[6]2)	109.4977	0.847	6	109.5099	0.599	7	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6a]O[6]2)	109.6480	0.000	1	109.6734	2.281	11	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]O[6]2)	109.6496	1.777	8	109.6734	2.281	11	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6a]O[6]2)	109.7810	0.826	2	109.6734	2.281	11	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H)	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6a]O[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6a]O[6]H){1|N<2>,7|C<3>}	H(C[6]C[6a]O[6]2)	109.5510	0.000	1	109.5510	0.000	1	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]O[6]2)	109.2405	0.153	2	109.2405	0.024	2	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]O[6]2)	109.6448	1.279	5	109.4967	0.979	68	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6a]O[6]2)	109.2600	0.000	1	109.4967	0.979	68	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]O[6]2)	109.4923	0.990	61	109.4967	0.979	68	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6a]O[6]2)	109.2560	0.000	1	109.4967	0.979	68	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H){4|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH){4|C<3>}	H(C[6]C[6a]O[6]2)	109.2117	0.127	3	109.2117	0.016	3	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]O[6]2)	109.8490	0.000	1	109.8490	0.000	1	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6a]O[6]2)	109.3840	0.000	1	109.7080	0.210	2	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6a]O[6]2)	110.0320	0.000	1	109.7080	0.210	2	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6a]O[6]2)	110.0170	0.000	1	110.0170	0.000	1	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5]C[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]O[6]2)	108.6750	0.147	2	108.6750	0.022	2	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6a]O[6]2)	109.4500	0.011	2	109.7191	0.237	22	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6a]O[6]2)	109.5720	0.000	1	109.7191	0.237	22	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6a]O[6]2)	109.6432	0.527	15	109.7191	0.237	22	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6a]O[6]2)	110.1753	0.040	4	109.7191	0.237	22	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6a]O[6]2)	108.7205	0.552	2	108.7205	0.305	2	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.7565	0.278	2	109.7120	0.045	3	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|H<1>,5|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.6230	0.000	1	109.7120	0.045	3	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.7680	0.222	2	109.2681	0.259	8	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6a]O[6]2)	109.3740	0.000	1	109.2681	0.259	8	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]O[6]2)	109.5520	0.000	1	109.2681	0.259	8	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|H<1>,5|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.6310	0.000	1	109.2681	0.259	8	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]O[6]2)	108.7890	0.000	1	109.2681	0.259	8	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	108.6315	0.023	2	109.2681	0.259	8	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.3685	0.026	2	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.5892	0.287	4	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.1830	0.000	1	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]O[6]2)	109.8145	0.005	2	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.6195	0.026	2	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.5220	0.058	2	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]O[6]2)	107.9600	0.226	2	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.5630	0.000	1	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6a]O[6]2)	109.3370	0.000	1	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){2|C<3>,3|C<4>}	H(C[6]C[6a]O[6]2)	109.2752	0.032	6	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.4763	1.500	10	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){2|C<4>,3|C<3>}	H(C[6]C[6a]O[6]2)	109.6640	0.025	2	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6a]O[6]2)	109.2710	0.000	1	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]O[6]2)	108.9850	0.577	3	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.2903	0.460	7	109.3480	0.625	46	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|P<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]O[6]2)	109.9755	0.054	2	109.9755	0.003	2	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6a]O[6]2)	108.8980	0.000	1	108.8980	0.000	1	109.5186	0.832	190	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:2:1:	4:4:	4:	C[6a]-3:O[6]-2:S[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6])(S[6]C[6])(H)	O[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)	H(C[6]C[6a]O[6]S[6])	C[6](C[6a]C[6a]N[6a])(O[6]C[6])(S[6]C[6])(H){1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]S[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6a]O[6]S[6])	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	109.3782	0.881	346	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:3:1:	3:4:	4:	C[6]-3:O[6]-2:N-3:H-1:	N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H){1|C<3>,2|C<4>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HN){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]N)	107.1950	0.000	1	107.1950	0.000	1	107.1950	0.000	1	107.1950	0.000	1	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:3:1:	4:3:	4:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H)	O[6](C[6]C[6]HN)(N[6]C[6]C)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H){1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6]HN)(N[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]N)	108.0560	0.000	1	108.0560	0.000	1	108.0560	0.000	1	108.0560	0.000	1	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:3:1:	4:4:	4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	O[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]C)	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	108.5298	0.315	9	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:3:1:	4:4:	4:	C[6,6a]-3:O[6]-2:C[6a]-3:H-1:	C[4,6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H)	O[6](C[4,6,6]C[4,6]C[6,6]C[4])(C[6]C[6,6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O[6](C[4,6,6]C[4,6]C[6,6]C[4])(C[6]C[6,6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.4775	0.097	2	108.4775	0.009	2	108.4775	0.009	2	108.5298	0.315	9	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:3:1:	4:4:	4:	C[6,6a]-3:O[6]-2:N-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H)	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]HN)	H(C[6]C[6,6a]O[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]HN){1|H<1>,7|C<3>}	H(C[6]C[6,6a]O[6]N)	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	108.5298	0.315	9	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:3:1:	4:4:	4:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|C<3>}	H(C[6]C[6]O[6]N)	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	108.5298	0.315	9	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:3:1:	4:4:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H)	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	108.5298	0.315	9	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:3:1:	4:4:	4:	N[5a]-3:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a]C[6]H)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]2)(O[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a]C[6]H){2|O<2>,3|C<3>,4|H<1>}	H(C[6]N[5a]C[6]O[6])	108.5160	0.267	2	108.5160	0.071	2	108.5160	0.071	2	108.5298	0.315	9	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:3:1:	4:4:	4:	N[6]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H)	O[6](C[6]C[5,5,6,6]HH)(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H){2|C<4>,3|H<1>}	O[6](C[6]C[5,5,6,6]HH)(C[6]N[6]CH){1|S<4>,3|C<4>}	H(C[6]N[6]O[6]C)	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	108.5298	0.315	9	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	N[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H)	O[6](N[5,6]C[5,6]O[5])(C[6]C[6,6a]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O[6](N[5,6]C[5,6]O[5])(C[6]C[6,6a]CH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]C)	107.3090	0.028	3	107.3090	0.001	3	107.3090	0.001	3	107.6388	1.119	5	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	109.4860	0.000	1	108.1335	3.659	2	108.1335	3.659	2	107.6388	1.119	5	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	3:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<4>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	106.7810	0.000	1	108.1335	3.659	2	108.1335	3.659	2	107.6388	1.119	5	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:2:	4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H)	O[6](C[6]C[6,6]CH)(O[6]C[6])	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H){5|C<4>}	O[6](C[6]C[6,6]CH)(O[6]C[6]){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]O[6]C)	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	107.0053	0.232	4	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:2:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H)	O[6](C[6]C[6]CH)(O[6]C[6])	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H){1|C<4>,1|H<1>}	O[6](C[6]C[6]CH)(O[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	106.7730	0.158	3	106.7730	0.025	3	106.7730	0.025	3	107.0053	0.232	4	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H)	O[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H){1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6]){1|O<1>,4|C<3>}	H(C[6]C[6,6a]O[6]C)	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.2255	0.880	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:3:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H)	O[6](C[6]C[6]CH)(N[6]C[6]C)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6]CH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	109.2255	0.880	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[5a,6]CH)(C[6]C[6]2H)	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[5a,6]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]O[6]C)	109.3950	0.000	2	109.3950	0.000	2	109.6575	0.647	8	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH){2|H<1>,4|C<3>}	H(C[6]C[5a,6]O[6]C)	110.0410	0.000	2	109.9980	0.002	4	109.6575	0.647	8	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH){2|H<1>,4|C<3>}	H(C[6]C[5a,6]O[6]C)	109.9550	0.000	2	109.9980	0.002	4	109.6575	0.647	8	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(CCCH)(H)	O[6](C[6]C[5a,6]CH)(C[6]C[6]HH)	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	O[6](C[6]C[5a,6]CH)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]O[6]C)	109.2390	1.889	2	109.2390	3.570	2	109.6575	0.647	8	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]C)	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]C)	108.7050	0.000	1	108.9750	0.146	2	108.9750	0.146	2	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]O[6]C)	109.2450	0.000	1	108.9750	0.146	2	108.9750	0.146	2	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]C)	107.5690	0.000	1	107.5690	0.000	1	108.0822	0.910	5	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]C)	108.1523	1.278	3	108.1523	1.635	3	108.0822	0.910	5	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]HH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]HH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]C)	108.3850	0.000	1	108.3850	0.000	1	108.0822	0.910	5	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H)	O[6](C[6]C[6,6a]CH)(P[6]O[6]OS)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H){1|H<1>,1|S<1>,2|C<3>,2|O<2>}	O[6](C[6]C[6,6a]CH)(P[6]O[6]OS){2|C<3>}	H(C[6]C[6,6a]O[6]C)	104.6420	0.000	1	104.6420	0.000	1	104.6420	0.000	1	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]O)(O[6]C[6,6])(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[3,6]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	O[6](C[6]C[3,6]HH)(C[6]C[6]CH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	107.2150	0.000	1	107.2150	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.4510	0.000	1	109.4510	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5a,6]HO)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[5a,6]HO)(C[6]C[6]CH){1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6]O[6]C)	108.7990	0.000	1	108.7990	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	106.1430	0.000	1	106.1430	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(H)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CH){1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6]O[6]C)	104.3130	0.000	1	104.3130	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<3>,1|C<4>}	H(C[6]C[6]O[6]C)	108.3460	0.000	1	108.3460	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<3>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]O[6]C)	108.3440	0.000	1	107.9955	0.243	2	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	107.6470	0.000	1	107.9955	0.243	2	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	107.6480	0.000	1	107.6480	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.0985	0.927	2	104.7938	14.848	4	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	101.4890	0.000	2	104.7938	14.848	4	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]C)	108.9040	0.000	1	108.9040	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.7500	0.000	1	108.7500	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.0410	0.000	1	107.0410	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]C)	107.5030	0.000	1	107.5030	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]C)	106.6760	0.000	1	106.6760	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|O<1>}	H(C[6]C[6]O[6]C)	110.1080	0.000	1	110.1080	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	107.7170	0.000	1	107.7170	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.0400	0.000	1	109.0400	0.000	1	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]C)	107.8370	0.136	2	107.8370	0.018	2	107.3258	4.822	23	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	C[6]-3:O[6]-2:C-4:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H)	O[6](P[6]C[6a]C[6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](P[6]C[6a]C[6]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]C)	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6]HH)(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H){2|H<1>,3|C<4>}	O[6](C[6]C[5,6]HH)(C[6]N[6]CH){2|C<4>,2|H<1>}	H(C[6]N[6]O[6]C)	109.0370	0.000	1	109.0370	0.000	1	108.2810	0.236	5	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6a]HH)(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]N[6]CH){1|S<4>,2|C<3>}	H(C[6]N[6]O[6]C)	107.8670	0.000	1	107.8670	0.000	1	108.2810	0.236	5	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]HH)(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]CH){1|H<1>,3|C<4>}	H(C[6]N[6]O[6]C)	108.0245	0.204	2	108.0245	0.042	2	108.2810	0.236	5	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]N[6]CH)	H(C[6]N[6]O[6]C)	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H){2|H<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]N[6]CH){2|C<4>,2|H<1>}	H(C[6]N[6]O[6]C)	108.4520	0.000	1	108.4520	0.000	1	108.2810	0.236	5	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:2:4:1:	4:4:	4:	S[6]-3:O[6]-2:P-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](S[6]C[6]Co)(O[6]C[6,6])(PC[6a]2Co)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HP)	H(C[6]O[6]S[6]P)	C[6](S[6]C[6]Co)(O[6]C[6,6])(PC[6a]2Co)(H){1|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HP){1|Co<5>,3|C<4>,3|H<1>}	H(C[6]O[6]S[6]P)	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	108.0620	3.567	48	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:2:	4:	C[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H)	O[6](C[6]C[6,6]C[6]H)(O[6]C[6])	H(C[6]C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2)(O[6]O[6])(H){4|H<1>,6|C<4>}	O[6](C[6]C[6,6]C[6]H)(O[6]C[6]){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]O[6])	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	108.9380	2.089	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:2:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H)	O[6](C[6]C[6a]C[6]H)(O[6]C[6])	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	108.9380	2.089	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.9580	0.000	1	109.9580	0.000	1	108.4403	2.939	3	108.4403	2.939	3	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	106.5810	0.000	1	106.5810	0.000	1	108.4403	2.939	3	108.4403	2.939	3	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7820	0.000	1	108.7820	0.000	1	108.4403	2.939	3	108.4403	2.939	3	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6,6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]3)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]3){2|C<4>,4|C<3>,6|H<1>}	H(C[6]C[5a,6]C[6a]O[6])	108.4870	0.000	1	108.4870	0.000	1	108.4870	0.000	1	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	109.1320	0.000	1	108.6973	0.796	3	108.0577	1.351	6	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	109.2890	0.000	1	108.6973	0.796	3	108.0577	1.351	6	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	107.6710	0.000	1	108.6973	0.796	3	108.0577	1.351	6	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	106.7460	0.000	2	106.7460	0.000	2	108.0577	1.351	6	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	108.7620	0.000	1	108.7620	0.000	1	108.0577	1.351	6	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[5a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]O[6])	107.3800	0.000	1	107.3800	0.000	1	107.3800	0.000	1	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	106.8680	0.000	1	106.8680	0.000	1	107.2713	1.438	3	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	106.3260	0.000	1	106.3260	0.000	1	107.2713	1.438	3	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.6200	0.000	1	108.6200	0.000	1	107.2713	1.438	3	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[5a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	O[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5a]O[6])	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.0730	0.000	1	108.0730	0.000	1	108.0730	0.000	1	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.9377	0.258	3	107.4880	0.853	4	107.8707	0.976	11	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	106.1390	0.000	1	107.4880	0.853	4	107.8707	0.976	11	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC){1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	105.9970	0.000	1	107.4630	4.298	2	107.8707	0.976	11	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){3|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.9290	0.000	1	107.4630	4.298	2	107.8707	0.976	11	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.5720	0.000	1	108.1787	0.280	3	107.8707	0.976	11	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.4820	0.086	2	108.1787	0.280	3	107.8707	0.976	11	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H){1|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.5820	0.363	2	108.5820	0.132	2	107.8707	0.976	11	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:N[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]N[5a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5a]O[6])	107.2250	0.000	1	107.2250	0.000	1	107.2250	0.000	1	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	106.7325	0.274	2	106.7325	0.075	2	106.7325	0.075	2	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6]-3:O[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6])(O[6]C[6]Re)(O[6]C[6])(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]N[6])(O[6]C[6]Re)(O[6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]2)	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9910	0.000	1	108.9910	0.000	1	107.2246	10.394	8	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	109.7975	0.438	2	109.7847	0.096	3	107.2246	10.394	8	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.7590	0.000	1	109.7847	0.096	3	107.2246	10.394	8	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	102.8705	3.405	2	104.2093	11.173	3	107.2246	10.394	8	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	106.8870	0.000	1	104.2093	11.173	3	107.2246	10.394	8	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	106.8240	0.000	1	106.8240	0.000	1	107.2246	10.394	8	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H)	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H){1|N<3>,3|H<1>,4|C<3>}	O[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6]H){2|C<4>,7|C<3>}	H(C[6]C[6a]N[6]O[6])	107.2060	0.000	1	107.2060	0.000	1	107.2060	0.000	1	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[5,6]CH)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[5,6]CH){2|C<3>,4|C<4>}	H(C[6]C[6a]N[6]O[6])	107.2370	0.210	3	107.2370	0.044	3	107.4870	2.380	9	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]N[6]O[6])	106.2363	0.083	3	106.3727	0.079	4	107.4870	2.380	9	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH){2|C<3>,4|C<4>}	H(C[6]C[6a]N[6]O[6])	106.7820	0.000	1	106.3727	0.079	4	107.4870	2.380	9	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]N[6]O[6])	110.0905	0.029	2	110.0905	0.001	2	107.4870	2.380	9	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	N[5a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[5a]C[6]O[6])	106.8200	0.000	1	106.8200	0.000	1	106.8200	0.000	1	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){5|C<3>}	H(C[6]C[6a]N[6]O[6])	109.3780	0.000	1	109.3780	0.000	1	109.6895	0.194	2	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:3:2:1:	4:4:	4:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	110.0010	0.000	1	110.0010	0.000	1	109.6895	0.194	2	107.7106	2.905	49	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	3:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.4908	0.621	6	109.3381	0.575	9	109.3381	0.575	9	109.3381	0.575	9	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	3:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	N[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0327	1.061	3	109.3381	0.575	9	109.3381	0.575	9	109.3381	0.575	9	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:2:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H)	O[6](C[6]C[6]CH)(O[6]C[6])	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H){1|C<4>,1|H<1>}	O[6](C[6]C[6]CH)(O[6]C[6]){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	106.4090	0.000	1	106.4090	0.000	1	106.4090	0.000	1	107.0280	0.766	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:2:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:Ge[6]-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]Ge[6])(H)	O[6](C[6]C[6a]C[6]H)(Ge[6]N[6])	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]Ge[6])(H){1|N<3>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(Ge[6]N[6]){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.6470	0.000	1	107.6470	0.000	1	107.6470	0.000	1	107.0280	0.766	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H){2|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9750	0.115	2	108.9750	0.013	2	109.6702	0.189	10	109.6702	0.189	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.8503	0.151	3	109.8932	0.022	4	109.6702	0.189	10	109.6702	0.189	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	110.0220	0.000	1	109.8932	0.022	4	109.6702	0.189	10	109.6702	0.189	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	110.2050	0.000	1	110.2050	0.000	1	109.6702	0.189	10	109.6702	0.189	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.9260	0.000	1	109.9260	0.000	1	109.6702	0.189	10	109.6702	0.189	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H)	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]C){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.5240	0.246	2	109.5240	0.061	2	109.6702	0.189	10	109.6702	0.189	10	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[3]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:Si[6]-4:	C[6]-4:	C[6](C[3]C[3]N[3])(C[6]C[6]HO)(O[6]Si[6])(H)	O[6](C[6]C[3]C[6]H)(Si[6]O[6]CC)	H(C[6]C[3]C[6]O[6])	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[6](C[6]C[3]C[6]H)(Si[6]O[6]CC){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[3]C[6]O[6])	108.0810	0.000	2	108.0810	0.000	2	108.0810	0.000	2	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HH)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	108.7700	0.000	1	108.7700	0.000	1	108.5021	0.101	7	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]O[6])	108.2990	0.000	1	108.2990	0.000	1	108.5021	0.101	7	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5a]C[6]O[6])	108.7090	0.245	2	108.7180	0.030	3	108.5021	0.101	7	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5a]C[6]O[6])	108.7360	0.000	1	108.7180	0.030	3	108.5021	0.101	7	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]O[6])	108.0040	0.000	1	108.0040	0.000	1	108.5021	0.101	7	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H)	O[6](C[6]C[5a]C[6]H)(C[6]O[6]CC)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]O[6]CC){1|N<2>,1|O<2>,3|C<4>}	H(C[6]C[5a]C[6]O[6])	108.2880	0.000	1	108.2880	0.000	1	108.5021	0.101	7	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6,6]C[6]O[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	O[6](C[6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]O[6])	107.9520	0.496	2	107.9520	0.246	2	107.9520	0.246	2	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[5]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2Fe)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[5]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2Fe)(O[6]C[6])(H){2|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5]O[6])	107.8540	0.000	1	107.8540	0.000	1	107.8540	0.000	1	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]O[6])	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[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CH){1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]O[6])	106.6770	0.000	1	106.6770	0.000	1	106.7465	0.010	2	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CO)	H(C[6]C[6,6a]C[6]O[6])	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[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CO){1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]O[6])	106.8160	0.000	1	106.8160	0.000	1	106.7465	0.010	2	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.1650	0.000	1	108.1650	0.000	1	107.8660	1.102	6	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9620	0.000	1	108.9620	0.000	1	107.8660	1.102	6	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]C)	106.8340	0.000	1	106.8340	0.000	1	107.8660	1.102	6	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1840	0.000	1	109.1840	0.000	1	107.8660	1.102	6	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H){1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6]O[6]C)	107.0255	0.057	2	107.0255	0.003	2	107.8660	1.102	6	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CH)	H(C[6]C[6]2O[6])	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6]C[6]2H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2O[6])	108.1945	0.378	2	108.1945	0.143	2	108.1945	0.143	2	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[3,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H)	O[6](C[3,6]C[3]C[6]O[3])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[3,6]C[3]C[6]O[3])(C[6]C[6a]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[3x6])(H)	O[6](C[3x6]C[6,6]2O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[3x6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[3x6]C[6,6]2O[6])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	109.3675	0.392	2	109.3675	0.154	2	109.3675	0.154	2	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	106.0700	2.564	2	106.0700	6.574	2	107.6188	5.402	4	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6a]C[6]O[6])	109.3040	0.000	1	109.3040	0.000	1	107.6188	5.402	4	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	O[6](C[5,6]C[6]O[5]2)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O[6](C[5,6]C[6]O[5]2)(C[6]C[6a]C[6]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0310	0.000	1	109.0310	0.000	1	107.6188	5.402	4	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.0280	0.000	1	108.0280	0.000	1	108.2924	7.143	12	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.7220	0.000	1	107.7220	0.000	1	108.2924	7.143	12	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|Cr<9>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6545	0.235	2	108.6545	0.055	2	108.2924	7.143	12	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]O[6])	114.8220	0.000	1	114.8220	0.000	1	108.2924	7.143	12	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]C[6]H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	106.6790	0.353	4	106.6790	0.125	4	108.2924	7.143	12	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.3040	3.496	3	108.3040	12.221	3	108.2924	7.143	12	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	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[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6a]C[6]O[6])	108.5200	0.000	1	108.5200	0.000	1	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9280	0.000	1	108.9280	0.000	1	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5060	0.000	1	108.5060	0.000	1	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.3070	0.000	1	108.7286	0.597	7	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	109.1220	0.074	4	108.7286	0.597	7	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.1780	0.000	1	108.7286	0.597	7	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	107.1270	0.000	1	108.7286	0.597	7	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.9470	0.000	2	108.9470	0.000	2	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.0620	0.283	4	108.8999	0.090	11	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6608	0.258	4	108.8999	0.090	11	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]O[6])	109.0370	0.301	2	108.8999	0.090	11	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9340	0.000	1	108.8999	0.090	11	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0070	0.000	1	109.0070	0.000	1	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2040	0.000	1	109.0477	0.022	4	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8970	0.000	1	109.0477	0.022	4	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9450	0.000	1	109.0477	0.022	4	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.1450	0.000	1	109.0477	0.022	4	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.3065	0.838	2	108.3065	0.702	2	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6270	0.000	1	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5270	0.000	1	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.1650	0.113	2	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.3610	0.000	1	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.2100	0.000	1	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.2240	0.339	2	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2200	0.000	1	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7750	0.047	2	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7500	0.311	2	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8410	0.000	1	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0970	0.000	2	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.0830	0.000	1	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7230	0.499	2	108.6493	0.176	19	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6440	0.000	1	108.6440	0.000	1	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6520	0.000	1	108.8642	0.030	4	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)2{4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8990	0.147	2	108.8642	0.030	4	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.0070	0.000	1	108.8642	0.030	4	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.8660	0.000	1	107.8660	0.000	1	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	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>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.8420	0.000	1	109.8420	0.000	1	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.1240	0.246	2	107.1240	0.061	2	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	105.1930	0.000	1	106.9180	1.350	4	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4930	0.203	3	106.9180	1.350	4	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	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[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6a]C[6]O[6])	108.7995	0.094	2	108.7995	0.009	2	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)	H(C[6]C[6a]C[6]O[6])	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[6](C[6]C[6a]C[6]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0940	0.000	1	109.0940	0.000	1	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)	H(C[6]C[6a]C[6]O[6])	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[6](C[6]C[6a]C[6]H)(C[6]C[6]HS){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6a]C[6]O[6])	108.6630	0.379	2	108.6630	0.144	2	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CC){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	106.3400	0.000	1	106.3400	0.000	1	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.3700	0.000	1	108.3700	0.000	1	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	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[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5050	0.000	1	108.5050	0.000	1	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8710	0.000	1	108.9427	0.072	3	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7180	0.000	1	108.9427	0.072	3	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2390	0.000	1	108.9427	0.072	3	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)2{1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.0847	1.332	4	108.0847	1.774	4	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.5905	0.375	2	109.5905	0.141	2	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9890	0.000	1	108.9890	0.000	1	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6345	0.026	2	108.6345	0.001	2	108.5922	0.594	82	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]N[5a]O[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]N[5a]O[6]O){1|N<2>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.0265	0.425	2	108.0265	0.181	2	108.1534	0.495	22	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]N[6]O[6]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]N[6]O[6]O){2|C<3>,5|C<4>}	H(C[6]C[6a]C[6]O[6])	108.3670	0.000	1	108.3670	0.000	1	108.1534	0.495	22	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO){2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.0990	0.362	2	108.0990	0.131	2	108.1534	0.495	22	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]ClO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){2|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]ClO){2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	105.9100	0.000	1	105.9100	0.000	1	108.1534	0.495	22	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|Cl<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO){2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.9050	0.000	1	108.2517	0.131	6	108.1534	0.495	22	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NO){2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.1210	0.189	5	108.2517	0.131	6	108.1534	0.495	22	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NS)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]NS){2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.1680	0.000	1	108.1680	0.000	1	108.1534	0.495	22	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]OO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]OO){2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.2570	0.000	1	108.2570	0.000	1	108.1534	0.495	22	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]CO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.2960	0.737	6	108.2960	0.544	6	108.1534	0.495	22	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]O[6]OO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6a]C[6]H)(P[6]O[6]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2950	0.000	1	109.2950	0.000	1	108.1534	0.495	22	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H)	O[6](C[6]C[6a]C[6]H)(P[6]C[6]OO)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(P[6]C[6]OO){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.8410	0.000	1	107.8410	0.000	1	108.1534	0.495	22	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	C[6a]-3:P[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(P[6]C[6]OO)(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H)	H(C[6]C[6a]O[6]P[6])	C[6](C[6a]C[6a]2)(P[6]C[6]OO)(O[6]C[6])(H){1|O<2>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6a]P[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]O[6]P[6])	108.1095	0.793	2	108.1095	0.628	2	108.1095	0.628	2	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH)	H(C[6]C[6]N[5]O[6])	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H){2|C<3>,2|O<1>,4|C<4>,5|H<1>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]N[5]O[6])	106.1400	0.000	1	106.1400	0.000	1	107.9232	1.089	5	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	H(C[6]C[6]N[5]O[6])	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[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[5]O[6])	108.4833	0.335	3	108.4833	0.112	3	107.9232	1.089	5	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH)	H(C[6]C[6]N[5]O[6])	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]N[5]O[6])	108.0260	0.000	1	108.0260	0.000	1	107.9232	1.089	5	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[5,6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)	O[6](C[6]C[5,6]N[5a]H)(C[6]C[6]CH)	H(C[6]C[5,6]N[5a]O[6])	C[6](N[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]O[5]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,2|N<2>,4|C<4>}	O[6](C[6]C[5,6]N[5a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]N[5a]O[6])	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]N[5a]C[6]O[6])	106.5740	0.000	1	106.5740	0.000	1	108.8649	0.966	32	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]N[5a]C[6]O[6])	107.2380	0.000	1	107.2380	0.000	1	108.8649	0.966	32	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]N[5a]C[6]O[6])	108.2685	0.193	2	108.2685	0.037	2	108.8649	0.966	32	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5a]C[6]O[6])	108.8453	0.574	3	108.8453	0.329	3	108.8649	0.966	32	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]MoH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]MoH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|Mo<10>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[5a]C[6]O[6])	107.1740	0.000	1	107.1740	0.000	1	108.8649	0.966	32	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|S<2>,2|C<3>,4|H<1>}	H(C[6]N[5a]C[6]O[6])	109.3930	1.301	4	109.3930	1.692	4	108.8649	0.966	32	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6]N[5a]C[6]O[6])	110.0180	0.000	1	110.0180	0.000	1	108.8649	0.966	32	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]N[5a]C[6]O[6])	108.1600	0.000	1	108.4923	0.068	6	108.8649	0.966	32	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]N[5a]C[6]O[6])	108.4383	0.131	3	108.4923	0.068	6	108.8649	0.966	32	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]N[5a]C[6]O[6])	108.7395	0.248	2	108.4923	0.068	6	108.8649	0.966	32	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6]N[5a]C[6]O[6])	109.3811	0.783	11	109.3811	0.613	11	108.8649	0.966	32	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]N[5a]C[6]O[6])	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6]N[5a]C[6]O[6])	108.9405	0.170	2	108.9405	0.029	2	108.8649	0.966	32	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[6]-3:C[5]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[5]C[5]2Mn)(O[6]C[6])(H)	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH)	H(C[6]C[5]N[6]O[6])	C[6](N[6]C[6,6a]H)(C[5]C[5]2Mn)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH){1|Mn<8>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5]N[6]O[6])	109.2290	0.000	1	109.2290	0.000	1	109.2210	0.228	3	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[6]-3:C[5]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[5]C[5]2Re)(O[6]C[6])(H)	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH)	H(C[6]C[5]N[6]O[6])	C[6](N[6]C[6,6a]H)(C[5]C[5]2Re)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[5]N[6]H)(C[6]C[6,6a]HH){1|Re<8>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5]N[6]O[6])	109.2170	0.675	2	109.2170	0.455	2	109.2210	0.228	3	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6]2O[6])(C[6]N[6a]C[6]H)	H(C[6]N[6a]C[6]O[6])	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]N[6a]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]N[6a]C[6]O[6])	109.1360	0.000	1	109.1360	0.000	1	109.1360	0.000	1	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[6a]C[6]H)(C[6]C[6]CH)	H(C[6]N[6a]C[6]O[6])	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	O[6](C[6]N[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]N[6a]C[6]O[6])	109.5857	0.514	3	109.5857	0.264	3	109.4363	0.164	6	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)	H(C[6]N[6a]C[6]O[6])	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,5|H<1>}	O[6](C[6]N[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6a]C[6]O[6])	109.4900	0.000	1	109.4900	0.000	1	109.4363	0.164	6	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]N[6a]C[6]H)(C[6]C[6]CH)	H(C[6]N[6a]C[6]O[6])	C[6](N[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]N[6a]C[6]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6a]C[6]O[6])	109.4060	0.000	1	109.4060	0.000	1	109.4363	0.164	6	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	3:4:2:1:	4:4:	4:	N[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6a]C[6a]N[6a])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)	H(C[6]N[6a]C[6]O[6])	C[6](N[6a]C[6a]N[6a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6]N[6a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]N[6a]C[6]O[6])	108.9650	0.000	1	108.9650	0.000	1	109.4363	0.164	6	108.5213	1.205	195	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]N[6])(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]N[6])(H)2{1|C<4>,1|O<2>,3|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.1865	2.528	4	108.1865	6.390	4	107.7650	4.862	10	107.8768	4.932	20	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<4>,1|N<3>,2|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6,6]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	107.4840	2.164	6	107.4840	4.681	6	107.7650	4.862	10	107.8768	4.932	20	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(H)2	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]N[6])(H)2{1|C<4>,3|C<3>}	O[6](N[6]C[5,6]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.7752	0.042	4	109.7752	0.002	4	109.7752	0.002	4	107.8768	4.932	20	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	S[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]S[6])(H)2	O[6](S[6]N[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O[6](S[6]N[6,6]O)(C[6]C[6]HH){1|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	106.5593	2.723	4	106.5593	7.415	4	106.7975	5.681	6	107.8768	4.932	20	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	3:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	S[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]S[6])(H)2	O[6](S[6]N[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O[6](S[6]N[6,6]O)(C[6]C[6]HH){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	107.2740	2.341	2	107.2740	5.478	2	106.7975	5.681	6	107.8768	4.932	20	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:2:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(O[6]O[6])(H)2	O[6](C[6]C[4x6]HH)(O[6]C[6])	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(O[6]O[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[4x6]HH)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[4x6]O[6]H)	109.3815	0.029	2	109.3815	0.001	2	109.3815	0.001	2	109.3630	0.004	6	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6]2C)(O[6]O[6])(H)2	O[6](C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]2C)(O[6]O[6])(H)2{1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]HH)(O[6]C[6]){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.4175	0.039	2	109.4175	0.002	2	109.3537	0.006	4	109.3630	0.004	6	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:2:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]O[6])(H)2	O[6](C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]O[6])(H)2{3|C<4>}	O[6](C[6]C[6]HH)(O[6]C[6]){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2900	0.028	2	109.2900	0.001	2	109.3537	0.006	4	109.3630	0.004	6	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]N[6])(H)2	O[6](C[6]C[4,6]HH)(N[6]C[6]C)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]N[6])(H)2{1|C<3>,2|H<1>,3|C<4>}	O[6](C[6]C[4,6]HH)(N[6]C[6]C){2|C<4>,3|H<1>}	H(C[6]C[4,6]O[6]H)	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	109.2843	0.897	36	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[6])(H)2	O[6](C[6]C[5,6]HH)(N[6]C[6]S)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[6])(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O[6](C[6]C[5,6]HH)(N[6]C[6]S){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.3770	0.023	2	109.3770	0.001	2	109.3770	0.001	2	109.2843	0.897	36	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	O[6](C[6]C[6,6]HH)(N[6]C[6]C)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>}	O[6](C[6]C[6,6]HH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.4800	0.311	2	108.4800	0.097	2	107.9698	7.650	4	109.2843	0.897	36	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	O[6](C[6]C[6,6]HH)(N[6]C[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[6](C[6]C[6,6]HH)(N[6]C[6]H){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6,6]O[6]H)	107.4595	4.670	2	107.4595	21.813	2	107.9698	7.650	4	109.2843	0.897	36	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]S[6])(H)2	O[6](C[6]C[6,6]HH)(S[6]O[6]O)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]S[6])(H)2{1|O<1>,3|O<2>,6|H<1>}	O[6](C[6]C[6,6]HH)(S[6]O[6]O){3|C<4>}	H(C[6]C[6,6]O[6]H)	109.4913	0.125	19	109.4913	0.016	19	109.4913	0.016	19	109.2843	0.897	36	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]N[6])(H)2	O[6](C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]N[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6]HH)(N[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3785	0.011	2	109.3785	0.000	2	109.4878	0.016	4	109.2843	0.897	36	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]N[6])(H)2	O[6](C[6]C[6]HH)(N[6]C[6]S)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]N[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>}	O[6](C[6]C[6]HH)(N[6]C[6]S){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5970	0.023	2	109.5970	0.001	2	109.4878	0.016	4	109.2843	0.897	36	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-3:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{2|H<1>,2|O<2>}	O[6](C[6]C[6]HH)(P[6]O[6]O){3|C<4>}	H(C[6]C[6]O[6]H)	109.2220	0.104	4	109.2220	0.011	4	109.2220	0.011	4	109.2843	0.897	36	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:3:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(H)2	O[6](C[6]C[6]HH)(S[6]O[6]O)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[6]C[6]HH)(S[6]O[6]O){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5695	0.006	2	109.5695	0.000	2	109.5695	0.000	2	109.2843	0.897	36	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[3,5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(O[6]C[6])(H)2	O[6](C[6]C[3,5,6]HH)(C[6]O[6]CC)	H(C[6]C[3,5,6]O[6]H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	O[6](C[6]C[3,5,6]HH)(C[6]O[6]CC){1|O<2>,2|C<4>}	H(C[6]C[3,5,6]O[6]H)	109.9710	0.017	3	109.9710	0.000	3	109.9710	0.000	3	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6,6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(O[6]C[6,6])(H)2	O[6](C[6]C[3,6]HH)(C[6,6]O[6]3)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3]2C[6])(O[6]C[6,6])(H)2{3|O<2>,6|H<1>}	O[6](C[6]C[3,6]HH)(C[6,6]O[6]3){5|C<4>}	H(C[6]C[3,6]O[6]H)	109.7832	0.114	6	109.7832	0.013	6	109.7832	0.013	6	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]N[3,6]H)(O[6]C[6])(H)2	O[6](C[6]C[3,6]HH)(C[6]C[6]HH)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,6,6]N[3,6]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[3,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[3,6]O[6]H)	108.8100	0.027	2	108.8100	0.001	2	109.0470	0.053	6	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2	O[6](C[6]C[3,6]HH)(C[6]C[6]CH)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,4|H<1>}	O[6](C[6]C[3,6]HH)(C[6]C[6]CH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3,6]O[6]H)	109.0115	0.042	2	109.0115	0.002	2	109.0470	0.053	6	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3,6]C[4,6]C[3]2)(O[6]C[6])(H)2	O[6](C[6]C[3,6]HH)(C[6]C[4,6]HH)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[4,6]C[3]2)(O[6]C[6])(H)2{1|C<3>,1|C<4>,6|H<1>}	O[6](C[6]C[3,6]HH)(C[6]C[4,6]HH){1|C<3>,4|C<4>}	H(C[6]C[3,6]O[6]H)	109.3195	0.008	2	109.3195	0.000	2	109.0470	0.053	6	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[3x6]HH)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6,6])(H)2{2|C<3>,3|H<1>,5|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[3x6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3x6]O[6]H)	109.0020	0.031	2	109.0020	0.001	2	109.0020	0.001	2	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2N[6])(O[6]C[6])(H)2	O[6](C[6]C[3x6]HH)(C[6]C[6]HH)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]2N[6])(O[6]C[6])(H)2{5|C<4>,5|H<1>}	O[6](C[6]C[3x6]HH)(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[3x6]O[6]H)	109.2260	0.020	2	109.2260	0.000	2	108.8165	9.321	4	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(H)2	O[6](C[6]C[3x6]HH)2	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(H)2{1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[3x6]HH)2{2|H<1>,3|C<4>}	H(C[6]C[3x6]O[6]H)	108.4070	5.224	2	108.4070	27.291	2	108.8165	9.321	4	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6])(H)2	O[6](C[6]C[3,6]HH)(C[6]C[4,6]HH)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,4|H<1>}	O[6](C[6]C[3,6]HH)(C[6]C[4,6]HH){1|C<3>,4|C<4>}	H(C[6]C[4,6]O[6]H)	109.8445	0.045	2	109.8445	0.002	2	108.7531	3.395	15	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	O[6](C[6]C[4,6]HH)(C[6]C[6]CH)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O[6](C[6]C[4,6]HH)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[4,6]O[6]H)	108.6015	1.907	4	108.6015	3.637	4	108.7531	3.395	15	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	O[6](C[6]C[4,6]HH)(C[6]C[6]HH)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O[6](C[6]C[4,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[4,6]O[6]H)	108.5900	3.005	2	108.8558	2.332	5	108.7531	3.395	15	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	O[6](C[6]C[4,6]HH)(C[6]C[6]HH)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[6](C[6]C[4,6]HH)(C[6]C[6]HH){1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[4,6]O[6]H)	109.2280	0.000	1	108.8558	2.332	5	108.7531	3.395	15	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	O[6](C[6]C[4,6]HH)(C[6]C[6]HH)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{3|C<4>,4|H<1>}	O[6](C[6]C[4,6]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[4,6]O[6]H)	108.9355	0.049	2	108.8558	2.332	5	108.7531	3.395	15	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(O[6]C[6])(H)2	O[6](C[6]C[4,6]HH)(C[6]O[6]CC)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4]2C[6])(O[6]C[6])(H)2{1|Se<2>,1|O<2>,2|C<4>,6|H<1>}	O[6](C[6]C[4,6]HH)(C[6]O[6]CC){3|C<4>}	H(C[6]C[4,6]O[6]H)	108.2308	2.809	4	108.2308	7.891	4	108.7531	3.395	15	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2	O[6](C[6]C[4x6]HH)(C[6]C[6]CO)	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	O[6](C[6]C[4x6]HH)(C[6]C[6]CO){2|H<1>,3|C<4>}	H(C[6]C[4x6]O[6]H)	109.0095	0.033	2	109.0095	0.001	2	109.0095	0.001	2	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2	O[6](C[6]C[5,5,6,6]HH)2	H(C[6]C[5,5,6,6]O[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	O[6](C[6]C[5,5,6,6]HH)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,5,6,6]O[6]H)	109.2314	0.067	5	109.2314	0.004	5	109.2013	0.019	11	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(O[6]C[6])(H)2	O[6](C[6]C[5,5,6,6]HH)2	H(C[6]C[5,5,6,6]O[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,3|C<4>,4|H<1>}	O[6](C[6]C[5,5,6,6]HH)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,5,6,6]O[6]H)	109.1710	0.205	5	109.1710	0.042	5	109.2013	0.019	11	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(O[6]C[6])(H)2	O[6](C[6]C[5,5,6,6]HH)(C[6]N[6]CH)	H(C[6]C[5,5,6,6]O[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(O[6]C[6])(H)2{1|C<3>,1|N<3>,4|H<1>,5|C<4>}	O[6](C[6]C[5,5,6,6]HH)(C[6]N[6]CH){1|S<4>,3|C<4>}	H(C[6]C[5,5,6,6]O[6]H)	109.2020	0.000	1	109.2020	0.000	1	109.2013	0.019	11	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(H)2	O[6](C[6]C[5,5,6]HH)(C[6]C[6a]C[6]H)	H(C[6]C[5,5,6]O[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[5,5,6]HH)(C[6]C[6a]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,5,6]O[6]H)	108.8640	0.016	2	108.8640	0.000	2	108.9707	2.259	4	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(O[6]C[6])(H)2	O[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,5,6]O[6]H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O[6](C[6]C[5,5,6]HH)(C[6]C[6]HH){1|Br<1>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,5,6]O[6]H)	109.0775	2.594	2	109.0775	6.731	2	108.9707	2.259	4	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,5,6])(H)2	O[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[5,6,6]HH)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,5,6])(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	O[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[5,6,6]HH){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[5,6,6]O[6]H)	109.1500	0.113	4	109.1500	0.013	4	109.1500	0.013	4	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,6])(H)2	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[5,6,6]HH)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,6])(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[5,6,6]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]O[6]H)	106.4985	2.450	4	106.4985	6.002	4	106.4985	6.002	4	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6,6]HH)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(O[6]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<4>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6,6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]O[6]H)	109.0655	0.026	2	109.0655	0.001	2	109.0655	0.001	2	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(O[6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[5,6,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[5,6,6]O[6]H)	109.4830	0.025	2	109.4830	0.001	2	109.4395	0.004	6	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(O[6]C[6])(H)2{2|O<2>,4|C<4>,4|H<1>}	O[6](C[6]C[5,6,6]HH)(C[6]O[6]CC){1|N<3>,2|C<4>}	H(C[6]C[5,6,6]O[6]H)	109.4177	0.070	4	109.4177	0.005	4	109.4395	0.004	6	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(O[6]S[6])(H)2	O[6](C[6]C[5,6,6]HH)(S[6]N[6]OO)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(O[6]S[6])(H)2{1|N<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	O[6](C[6]C[5,6,6]HH)(S[6]N[6]OO){1|H<1>,3|C<4>}	H(C[6]C[5,6,6]O[6]H)	109.5885	0.013	2	109.5885	0.000	2	109.5885	0.000	2	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(F)(H)	O[6](C[6]C[5,6]FH)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]F)	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]FH)(C[6]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]F)	109.2418	2.585	5	109.2418	6.684	5	109.2418	6.684	5	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[3,5]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]C[3,5]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]O[6]H)	109.2013	0.119	6	109.2013	0.014	6	109.2485	0.103	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2{1|N<3>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH){2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6]O[6]H)	109.2030	0.000	1	109.2030	0.000	1	109.2485	0.103	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]H)	108.8035	0.019	2	108.8035	0.000	2	109.2485	0.103	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,5|H<1>}	O[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH){1|S<4>,2|H<1>,4|C<4>}	H(C[6]C[5,6]O[6]H)	109.0810	0.023	2	109.0810	0.001	2	109.2485	0.103	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6]O[6]H)	109.1057	0.079	6	109.1057	0.006	6	109.2485	0.103	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|B<3>,1|H<1>,2|C<4>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH){1|B<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]H)	109.5665	0.015	2	109.4903	0.010	9	109.2485	0.103	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6]HH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]H)	109.4686	0.102	7	109.4903	0.010	9	109.2485	0.103	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]H)	108.9170	0.048	2	108.9547	0.005	6	109.2485	0.103	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]H)	108.9735	0.076	4	108.9547	0.005	6	109.2485	0.103	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[6]O[5]2)(O[6]C[5,6])(H)2{1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]O[6]H)	109.4380	0.000	1	109.4380	0.000	1	109.2485	0.103	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	110.1515	0.037	2	110.1515	0.001	2	109.2485	0.103	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]H)	108.4980	0.013	2	108.4855	0.000	4	109.0281	0.108	28	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	108.4730	0.013	2	108.4855	0.000	4	109.0281	0.108	28	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6,6]C[5]N)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	108.9090	0.027	2	108.9090	0.001	2	109.0281	0.108	28	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2{1|O<2>,3|C<4>,4|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.4025	0.026	2	109.4025	0.001	2	109.0281	0.108	28	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<4>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.4995	0.012	2	109.4995	0.000	2	109.0281	0.108	28	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.0553	0.168	4	108.9951	0.012	16	109.0281	0.108	28	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[6](C[6,6]C[6]2O[6])(C[6]C[5,6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	108.9751	0.086	12	108.9951	0.012	16	109.0281	0.108	28	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]O[5,6]C[5]H)(O[6]C[6,6])(H)2{1|O<2>,2|C<3>,3|C<4>}	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|O<2>}	H(C[6]C[5,6]O[6]H)	109.6500	0.011	2	109.6500	0.000	2	109.0281	0.108	28	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]FH)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(H)2{1|F<1>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]FH)(C[6]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	107.6114	2.360	10	107.6114	5.571	10	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]N[6]CH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]N[6]CH){2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.3040	0.000	1	109.3040	0.000	1	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)2	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O[6](C[6]C[5,6]HH)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]H)	109.4553	0.931	4	109.4553	0.867	4	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.1085	0.012	2	109.1085	0.000	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.9195	0.022	2	109.9195	0.000	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)2	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.1360	0.033	2	109.1360	0.001	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[5,6]HO){1|H<1>,4|C<4>}	H(C[6]C[5,6]O[6]H)	109.5310	0.028	2	109.5310	0.001	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.7915	0.067	2	109.3800	0.228	4	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	108.9685	0.030	2	109.3800	0.228	4	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.4822	0.257	6	109.4822	0.066	6	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|H<1>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.6765	0.306	21	109.6765	0.094	21	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)2	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,4|H<1>}	O[6](C[6]C[5,6]HH)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.8460	0.034	2	109.8460	0.001	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]H)	108.5397	0.050	6	108.5397	0.002	6	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.0125	0.030	2	109.1329	0.016	9	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.0832	0.059	4	109.1329	0.016	9	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.2793	0.074	3	109.1329	0.016	9	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[5,6]O[6]H)	110.2855	0.030	2	110.2855	0.001	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]O[6]H)	109.2925	0.032	2	110.2502	0.186	13	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]O[6]H)	110.4243	0.083	11	110.2502	0.186	13	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]O[6]H)	109.1950	0.134	4	109.1950	0.018	4	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	110.0278	0.409	6	109.8617	0.333	7	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{3|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]O[6]H)	108.8650	0.000	1	109.8617	0.333	7	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]O[6]H)	109.1660	2.710	2	109.1660	7.342	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]CO)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,2|O<2>,3|C<4>}	O[6](C[6]C[5,6]HH)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]H)	108.9415	0.043	2	108.9415	0.002	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]H)	108.7036	0.090	5	108.7036	0.008	5	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]O[6]H)	108.5450	1.022	2	109.2116	0.107	24	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]O[6]H)	109.2722	0.145	22	109.2116	0.107	24	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]O[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]O[6]H)	109.0990	0.008	2	109.0990	0.000	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]O[6]H)	109.6237	0.868	6	108.8976	4.043	16	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]O[6]H)	108.4620	2.400	10	108.8976	4.043	16	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]S[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[5,6]O[6]H)	109.3135	0.030	2	109.3135	0.001	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(H)2{1|O<2>,3|C<3>,7|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){2|C<3>,3|C<4>}	H(C[6]C[5,6]O[6]H)	109.7035	0.223	8	109.7035	0.050	8	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.1135	0.009	2	109.2433	0.023	4	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	109.3730	0.016	2	109.2433	0.023	4	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]N[5])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(O[6]C[6])(H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH){1|N<3>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.5815	0.025	2	109.5815	0.001	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[5,6]O[6]H)	109.1831	0.221	10	109.1831	0.049	10	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]O[6]H)	109.7880	5.573	2	109.7880	31.063	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(H)2{3|C<4>,5|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.0905	0.021	2	109.0905	0.000	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]CH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]O[6]H)	109.9005	0.033	2	109.5705	0.146	4	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]CH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]CH){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	109.2405	0.021	2	109.5705	0.146	4	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)2	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.3025	0.026	4	109.4273	0.010	12	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)2	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[5,6]HH)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.4802	0.051	4	109.4273	0.010	12	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)2	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	109.4993	0.013	4	109.4273	0.010	12	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5a,6]C[5,5]O[5])(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5a,6]C[5,5]O[5])(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[6]C[5,6]O[6]H)	108.0470	0.465	2	108.0470	0.216	2	109.2850	1.164	196	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	O[6](C[6]C[5,6]HH)(P[6]O[6]NO)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6]HH)(P[6]O[6]NO){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]O[6]H)	108.7922	3.390	4	108.7922	11.489	4	109.8984	5.416	9	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	O[6](C[6]C[5,6]HH)(P[6]O[6]OO)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	O[6](C[6]C[5,6]HH)(P[6]O[6]OO){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]O[6]H)	110.7834	0.114	5	110.7834	0.013	5	109.8984	5.416	9	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]S[6])(H)2	O[6](C[6]C[5,6]HH)(S[6]N[3,6]OO)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]S[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	O[6](C[6]C[5,6]HH)(S[6]N[3,6]OO){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]O[6]H)	110.2490	0.040	2	110.2490	0.002	2	110.2490	0.002	2	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:Si[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)2	O[6](C[6]C[5,6]HH)(Si[6]O[6]CC)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[5,6]HH)(Si[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]O[6]H)	110.0865	0.005	2	110.0865	0.000	2	109.6213	0.649	3	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:Si[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(O[6]Si[6])(H)2	O[6](C[6]C[5,6]HH)(Si[6]O[6]CC)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]C[6]O[5])(O[6]Si[6])(H)2{2|H<1>,2|O<2>,5|C<4>}	O[6](C[6]C[5,6]HH)(Si[6]O[6]CC){1|O<2>,2|C<4>}	H(C[6]C[5,6]O[6]H)	108.6910	0.000	1	108.6910	0.000	1	109.6213	0.649	3	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[3x6])(H)2	O[6](C[3x6]C[4x6]C[6]O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[3x6])(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[3x6]C[4x6]C[6]O[6])(C[6]C[6,6]HH){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.5440	0.000	1	109.5440	0.000	1	109.2570	0.062	3	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(O[6]C[3x6])(H)2	O[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[4x6]C[6]H)(O[6]C[3x6])(H)2{1|C<3>,3|C<4>,4|H<1>}	O[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	109.1135	0.008	2	109.1135	0.000	2	109.2570	0.062	3	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6a]O[6])(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,3x6]C[6a]O[6])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	108.6845	0.040	2	108.6845	0.002	2	109.0148	5.253	12	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]O[6]H)	108.9590	0.044	2	108.9590	0.002	2	109.0148	5.253	12	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(H)2	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.5420	7.470	2	108.5420	55.799	2	109.0148	5.253	12	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	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[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]H)	108.8235	0.006	2	108.8235	0.000	2	109.0148	5.253	12	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[5,6])(H)2{2|C<4>,3|O<2>,6|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	109.5397	0.207	4	109.5397	0.043	4	109.0148	5.253	12	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH){1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.9128	0.189	4	108.9128	0.036	4	109.2977	0.041	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6,6])(H)2{1|O<2>,4|C<4>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	109.2829	0.115	7	109.3473	0.020	31	109.2977	0.041	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6,6])(H)2{2|C<4>,3|O<2>,6|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH){4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	109.3661	0.145	24	109.3473	0.020	31	109.2977	0.041	35	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[3x6]HO)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(H)2{1|O<2>,3|C<4>,4|H<1>}	O[6](C[6]C[3x6]HO)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	H(C[6]C[6,6]O[6]H)	109.2350	0.007	2	109.2350	0.000	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]CO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6]CO){2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.3580	0.000	1	109.3580	0.000	1	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.5645	0.274	2	108.5645	0.075	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[3x6]C)(O[6]C[6])(H)2	O[6](C[6]C[3x6]CH)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5a,6]C[3x6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[6](C[6]C[3x6]CH)(C[6]C[6,6]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.4165	0.005	2	109.4165	0.000	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(H)2	O[6](C[6]C[3x6]CH)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[6](C[6]C[3x6]CH)(C[6]C[6,6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.6580	0.027	2	109.6580	0.001	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(O[6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6,6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.2690	0.006	2	109.2690	0.000	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5x6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5x6]C[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[3x6]HH)(C[6]C[6,6]HH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6]H)	108.4230	1.949	2	108.4230	3.798	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]N[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|N<3>,3|C<4>,4|H<1>}	O[6](C[6]C[6,6]HH)(C[6]N[6]HH){1|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.2425	0.012	2	109.2425	0.000	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.6130	0.025	2	109.7375	0.021	20	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){3|C<4>}	H(C[6]C[6,6]O[6]H)	109.7513	0.147	18	109.7375	0.021	20	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){3|C<4>}	H(C[6]C[6,6]O[6]H)	109.5138	0.135	4	109.5138	0.018	4	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6,6]O[6]H)	108.2125	1.686	4	108.2125	2.842	4	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]CO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6]CO){2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.3950	0.011	2	109.3950	0.000	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HO){2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.4730	0.028	2	109.4730	0.001	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<2>,5|C<4>,5|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){3|C<4>}	H(C[6]C[6,6]O[6]H)	109.3332	0.167	4	109.3332	0.028	4	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>,5|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.1750	0.004	2	109.1750	0.000	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]C[6]O)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O[6](C[6]C[5,6]C[6]O)(C[6]C[6,6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	109.5425	0.029	2	109.5425	0.001	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH){2|H<1>,5|C<3>}	H(C[6]C[6,6]O[6]H)	109.0265	0.012	2	109.0265	0.000	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,5|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6]CC){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.1755	0.029	2	109.1755	0.001	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]CH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]C[6]CH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	109.5730	0.000	1	109.5730	0.000	1	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6]H)	109.4203	0.154	7	109.4203	0.024	7	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	109.1280	0.000	1	109.1280	0.000	1	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]O[6]H)	109.1100	0.011	2	109.1100	0.000	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2{1|O<2>,1|S<4>,2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]HH){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]O[6]H)	110.0200	0.006	2	110.0200	0.000	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O[6])(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]O[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|N<3>,1|O<2>}	H(C[6]C[6,6]O[6]H)	109.1615	0.019	2	109.1615	0.000	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]O[6]H)	110.1030	0.110	6	109.9845	0.195	21	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]O[6]H)	109.9371	0.515	15	109.9845	0.195	21	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]O[6]H)	108.9725	2.764	30	108.9725	7.642	30	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH){1|Cr<9>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]H)	110.3665	0.052	2	110.3665	0.003	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH){1|Cr<9>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]H)	110.1174	0.140	11	110.1174	0.019	11	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]O[6]H)	109.9630	0.907	116	109.9702	0.738	130	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]O[6]H)	110.0297	0.208	14	109.9702	0.738	130	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)	H(C[6]C[6,6]O[6]H)	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[6](C[6]C[6,6]HH)(C[6]C[6,6]HO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]H)	109.3020	0.011	2	109.3020	0.000	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.9950	0.000	1	108.9950	0.000	1	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	O[6](C[6]C[5a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|C<3>,3|O<2>,7|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6,6]HH){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.5709	0.131	13	109.5709	0.017	13	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{2|C<4>,3|O<2>,6|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){3|C<4>}	H(C[6]C[6,6]O[6]H)	109.5637	0.024	3	109.5637	0.001	3	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|C<4>,3|O<2>,7|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){3|C<4>}	H(C[6]C[6,6]O[6]H)	109.3830	0.153	4	109.3830	0.024	4	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	O[6](C[6]C[6a]2O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{2|C<3>,3|O<2>,6|H<1>}	O[6](C[6]C[6a]2O[6])(C[6]C[6,6]HH){3|C<4>,4|C<3>}	H(C[6]C[6,6]O[6]H)	109.5011	0.109	12	109.5011	0.012	12	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|O<2>,6|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.5123	0.073	6	109.5123	0.005	6	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|C<3>,3|O<2>,7|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	H(C[6]C[6,6]O[6]H)	109.4352	0.131	49	109.4352	0.017	49	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6,6]HS)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6,6]HS){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]O[6]H)	107.0945	2.425	2	107.0945	5.879	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	109.4022	0.023	4	109.1527	0.041	13	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|S<4>,2|C<4>,4|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	108.9117	0.037	4	109.1527	0.041	13	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{3|C<4>,4|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.1458	0.042	5	109.1527	0.041	13	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|N<3>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]N[6,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]O[6]H)	109.6705	0.039	2	109.6705	0.002	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)2	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,6|H<1>}	O[6](C[6]C[6,6]HH)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	109.0600	0.031	4	109.0600	0.001	4	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]N[6]H)(O[6]C[6])(H)2{1|C<4>,2|N<3>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){2|N<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	109.5487	0.030	8	109.5487	0.001	8	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6,6]O[6]H)	109.0920	0.006	2	109.0920	0.000	2	109.6009	1.069	389	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]P[6])(H)2	O[6](C[6]C[6,6]HH)(P[6]O[6]OO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]P[6])(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O[6](C[6]C[6,6]HH)(P[6]O[6]OO){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]O[6]H)	109.2110	0.064	2	109.2110	0.004	2	109.0164	1.221	29	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2	O[6](C[6]C[6,6]HH)(P[6]O[6]CO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2{1|C<4>,1|O<1>,3|O<2>,6|H<1>}	O[6](C[6]C[6,6]HH)(P[6]O[6]CO){3|C<4>}	H(C[6]C[6,6]O[6]H)	108.7775	1.306	19	108.7775	1.704	19	109.0164	1.221	29	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2	O[6](C[6]C[6,6]HH)(P[6]O[6]ClO)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2{1|Cl<1>,1|O<1>,3|O<2>,6|H<1>}	O[6](C[6]C[6,6]HH)(P[6]O[6]ClO){3|C<4>}	H(C[6]C[6,6]O[6]H)	109.5351	0.161	8	109.5351	0.026	8	109.0164	1.221	29	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]S[6])(H)2	O[6](C[6]C[6,6]HH)(S[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]S[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[6,6]HH)(S[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]O[6]H)	109.6545	0.537	2	109.6545	0.288	2	109.6545	0.288	2	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:Si[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2	O[6](C[6]C[6,6]HH)(Si[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6,6]HH)(Si[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]O[6]H)	109.0705	0.036	2	109.7005	0.516	6	108.5462	4.244	10	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:Si[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2	O[6](C[6]C[6,6]HH)(Si[6]O[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[6,6]HH)(Si[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]O[6]H)	110.0155	0.680	4	109.7005	0.516	6	108.5462	4.244	10	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:Si[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]C)(O[6]Si[6])(H)2	O[6](C[6]C[6,6]HH)(Si[6]C[6]CC)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]C)(O[6]Si[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[6,6]HH)(Si[6]C[6]CC){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	106.8148	2.283	4	106.8148	5.211	4	108.5462	4.244	10	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]2O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]P[6,6])(H)2{2|N<2>,3|O<2>,6|H<1>}	O[6](P[6,6]N[6]2O[6])(C[6]C[6,6]HH){2|P<4>,3|C<4>}	H(C[6]C[6,6]O[6]H)	108.5353	1.729	28	108.5353	2.989	28	108.5353	2.989	28	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:C-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(C)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.6720	0.000	1	109.6720	0.000	1	109.6720	0.000	1	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	O[6](C[6]C[6]CH)(C[6]C[6]FH)	H(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]FH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]F)	108.5330	0.000	1	108.6265	0.017	2	109.0176	0.769	5	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	O[6](C[6]C[6]CH)(C[6]C[6]FH)	H(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]FH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]F)	108.7200	0.000	1	108.6265	0.017	2	109.0176	0.769	5	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	O[6](C[6]C[6]FF)(C[6]C[6]FH)	H(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O[6](C[6]C[6]FF)(C[6]C[6]FH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]F)	110.5790	0.000	1	110.5790	0.000	1	109.0176	0.769	5	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	O[6](C[6]C[6]FH)2	H(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O[6](C[6]C[6]FH)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]F)	108.6280	0.113	2	108.6280	0.013	2	109.0176	0.769	5	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	B[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[5,6])(H)2	O[6](B[5,6]C[5,6a]N[5]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[5,6])(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>}	O[6](B[5,6]C[5,6a]N[5]O[6])(C[6]C[6]HH){2|C<3>,6|C<4>}	H(C[6]C[6]O[6]H)	109.0470	0.137	4	109.0470	0.019	4	109.0470	0.019	4	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	B[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6,6])(H)2	O[6](B[6,6]O[6]3)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6,6])(H)2{2|H<1>,3|O<2>}	O[6](B[6,6]O[6]3)(C[6]C[6]HH){5|C<4>}	H(C[6]C[6]O[6]H)	109.0955	0.047	2	109.0955	0.002	2	108.9613	0.650	16	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	B[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	O[6](B[6,6]C[6]N[6]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O[6](B[6,6]C[6]N[6]O[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	108.2343	1.485	4	108.2343	2.205	4	108.9613	0.650	16	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	B[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>}	O[6](B[6,6]N[6,6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1814	0.171	8	109.1814	0.029	8	108.9613	0.650	16	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	B[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	O[6](B[6,6]N[6,6]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|N<3>,2|H<1>,2|O<2>}	O[6](B[6,6]N[6,6]O[6]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4010	0.020	2	109.4010	0.000	2	108.9613	0.650	16	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	B[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2{1|N<3>,3|C<3>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]HH){2|H<1>,6|C<3>}	H(C[6]C[6]O[6]H)	109.7248	0.063	4	109.7248	0.004	4	109.7248	0.004	4	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[3,6])(H)2	O[6](C[3,6]C[3,5,6]C[3,6]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[3,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[3,6]C[3,5,6]C[3,6]O[6])(C[6]C[6]HH){1|H<1>,6|C<4>}	H(C[6]C[6]O[6]H)	109.4629	0.110	8	109.4629	0.012	8	109.5195	0.024	10	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[3,6])(H)2	O[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[3,6])(H)2{2|O<1>,3|C<4>}	O[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH){2|Cl<1>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.7460	0.041	2	109.7460	0.002	2	109.5195	0.024	10	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(H)2	O[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(H)2{1|H<1>,2|C<3>,2|C<4>}	O[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	108.7825	0.016	2	108.7825	0.000	2	109.5082	0.291	38	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2	O[6](C[3x6]C[5x6]C[6,6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[3x6]C[5x6]C[6,6]O)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	108.0860	1.962	2	108.0860	3.848	2	109.5082	0.291	38	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2	O[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2{1|C<3>,4|C<4>}	O[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]O[6]H)	109.2225	0.019	2	109.2225	0.000	2	109.5082	0.291	38	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(O[6]C[3x6])(H)2	O[6](C[3x6]C[3x6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CC)(O[6]C[3x6])(H)2{1|O<2>,2|C<4>}	O[6](C[3x6]C[3x6]2O[6])(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	109.1805	0.023	2	109.1805	0.001	2	109.5082	0.291	38	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2	O[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2{1|C<3>,1|C<4>,1|O<2>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.7070	0.000	1	109.7070	0.000	1	109.5082	0.291	38	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2{1|C<3>,1|C<4>,1|O<2>}	O[6](C[3x6]C[5a,6]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.7131	0.089	14	109.7131	0.008	14	109.5082	0.291	38	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2	O[6](C[3x6]C[6,6a]2C[3x6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2{1|C<4>,2|C<3>}	O[6](C[3x6]C[6,6a]2C[3x6])(C[6]C[6]HH){2|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6]O[6]H)	109.5080	0.016	2	109.5080	0.000	2	109.5082	0.291	38	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2{1|C<3>,1|C<4>,1|O<2>}	O[6](C[3x6]C[6,6a]C[3x6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.6971	0.139	13	109.6971	0.019	13	109.5082	0.291	38	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[4,6])(H)2	O[6](C[4,6]C[3,4,6]C[4,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[4,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[4,6]C[3,4,6]C[4,6]H)(C[6]C[6]HH){2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	110.3975	2.064	2	110.3975	4.260	2	106.9094	8.113	20	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	O[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	105.6898	1.538	4	105.6898	2.364	4	106.9094	8.113	20	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	O[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[4,6]C[4,6]2H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	105.1260	3.383	2	104.6155	4.833	4	106.9094	8.113	20	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	O[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[4,6]C[4,6]2H)(C[6]C[6]HH){2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	104.1050	1.418	2	104.6155	4.833	4	106.9094	8.113	20	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4445	0.030	2	107.6173	7.994	10	106.9094	8.113	20	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|O<1>,2|C<4>,2|H<1>}	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH){2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	107.8555	0.060	2	107.6173	7.994	10	106.9094	8.113	20	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH){2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	106.9288	3.530	6	107.6173	7.994	10	106.9094	8.113	20	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[5,6,6])(H)2	O[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3910	0.007	2	109.3910	0.000	2	108.7563	0.246	6	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[5,6,6])(H)2	O[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH){3|C<4>,3|O<2>,5|H<1>}	H(C[6]C[6]O[6]H)	108.4390	0.088	4	108.4390	0.008	4	108.7563	0.246	6	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2040	0.027	8	109.2040	0.001	8	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(O[6]C[5,6])(H)2	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH){1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	109.4700	0.023	2	109.4700	0.001	2	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	105.7960	4.130	2	105.7960	17.053	2	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.2390	0.014	2	109.2390	0.000	2	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2{1|C<2>,1|O<2>,3|C<4>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH){2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4590	0.000	1	109.4590	0.000	1	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HS)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HS)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH){1|O<2>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.4205	0.043	2	109.4205	0.002	2	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.3370	0.008	2	109.3370	0.000	2	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.2665	0.140	4	108.4347	3.706	51	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6]O[6]H)	109.2848	0.095	8	108.4347	3.706	51	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.2835	0.142	11	108.4347	3.706	51	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){3|C<3>,5|C<4>}	H(C[6]C[6]O[6]H)	106.7210	3.768	4	108.4347	3.706	51	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6]O[6]H)	109.3875	0.081	4	108.4347	3.706	51	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	107.6136	2.260	20	108.4347	3.706	51	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	109.3430	0.057	4	109.2198	0.019	52	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	109.3760	0.055	2	109.2198	0.019	52	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|F<1>,3|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	109.4205	0.093	2	109.2198	0.019	52	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){4|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	109.1924	0.130	44	109.2198	0.019	52	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[3x3,3x5,12x6]C[5,6a]N[5,6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<6>,1|N<3>,2|H<1>}	O[6](C[5,6]C[3x3,3x5,12x6]C[5,6a]N[5,6])(C[6]C[6]HH){1|Co<10>,1|C<4>,1|C<6>,2|H<1>,3|B<6>,3|C<3>}	H(C[6]C[6]O[6]H)	109.6045	0.049	2	109.6045	0.002	2	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2845	0.493	2	109.2845	0.243	2	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[4]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[4]O[5])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.8540	0.000	1	108.8540	0.000	1	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH){1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2523	0.042	4	109.2523	0.002	4	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]O[6]H)	109.2525	0.045	2	109.2796	0.055	5	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1075	0.018	2	109.2796	0.055	5	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.6780	0.000	1	109.2796	0.055	5	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.5815	0.008	2	109.2081	0.507	14	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3105	0.036	2	109.2081	0.507	14	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	107.7870	1.277	2	109.2081	0.507	14	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3328	0.119	4	109.2081	0.507	14	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4725	0.009	2	109.2081	0.507	14	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.6395	0.015	2	109.2081	0.507	14	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6]O[6]H)	109.2535	0.016	2	109.2535	0.000	2	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.6293	0.022	3	109.6293	0.000	3	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.6103	1.574	6	108.6103	2.478	6	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.7327	0.060	4	109.7327	0.004	4	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]HH){2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.2530	0.000	1	109.2530	0.000	1	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.9000	0.034	2	109.9000	0.001	2	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]HH){1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.4670	0.034	2	109.3642	0.015	4	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|H<1>,3|C<4>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]HH){2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]O[6]H)	109.2615	0.019	2	109.3642	0.015	4	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[6]O[6]H)	108.3960	2.246	4	108.3960	5.046	4	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|Fe<7>,1|O<2>,3|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|Fe<7>,3|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.3685	0.052	2	108.4389	2.951	7	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6]O[6]H)	109.3980	0.000	1	108.4389	2.951	7	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	107.7343	2.087	4	108.4389	2.951	7	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	O[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.3425	0.008	2	109.3425	0.000	2	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	107.2425	3.597	2	107.2425	12.939	2	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	107.5433	1.873	4	108.0995	2.848	6	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH){2|C<4>,3|H<1>,4|O<2>}	H(C[6]C[6]O[6]H)	109.2120	0.033	2	108.0995	2.848	6	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.9355	0.009	2	109.5830	0.169	4	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2305	0.098	2	109.5830	0.169	4	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<3>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.7683	0.130	3	109.7933	0.014	4	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<3>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.8680	0.000	1	109.7933	0.014	4	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>}	O[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.8480	0.000	1	109.8480	0.000	1	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[5,6])(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.5615	0.005	2	109.5615	0.000	2	108.9390	1.737	204	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5a,6]C[3x6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,3|C<4>}	O[6](C[6,6]C[5a,6]C[3x6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.0378	3.344	4	108.0378	11.184	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HO)(O[6]C[6,6])(H)2{1|H<1>,4|C<4>}	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH){2|C<4>,2|H<1>,4|O<2>}	H(C[6]C[6]O[6]H)	109.4930	0.000	1	109.4930	0.000	1	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3505	0.015	2	109.4095	0.005	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4685	0.025	2	109.4095	0.005	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.9390	0.025	2	108.9390	0.001	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[5]H)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	107.7140	1.368	2	107.7140	1.870	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	108.6010	0.388	4	108.6010	0.151	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2{1|C<3>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6]O[6]H)	109.2175	0.011	2	109.2175	0.000	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2{1|C<3>,4|C<4>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]O[6]H)	109.3785	0.025	2	109.3785	0.001	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0580	0.027	2	109.0580	0.001	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2306	0.029	5	109.2306	0.001	5	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.2218	0.157	4	109.2218	0.025	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5183	0.203	3	109.5183	0.041	3	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6]O[6]H)	109.2895	0.118	4	109.2895	0.014	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]O[6]H)	109.2255	0.275	4	108.9480	6.734	28	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|Br<1>,2|H<1>,6|C<4>}	H(C[6]C[6]O[6]H)	109.3528	4.450	4	108.9480	6.734	28	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|Br<1>,3|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	109.4262	0.207	4	108.9480	6.734	28	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6]O[6]H)	109.2430	0.107	7	108.9480	6.734	28	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	106.8143	5.791	4	108.9480	6.734	28	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){4|H<1>,5|C<4>}	H(C[6]C[6]O[6]H)	109.3136	0.036	5	108.9480	6.734	28	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){4|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.0415	0.019	2	109.0415	0.000	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	106.5096	4.314	16	106.5096	18.614	16	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.3590	0.011	2	109.3590	0.000	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.2280	0.010	2	109.2280	0.000	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.3343	0.051	3	109.3343	0.003	3	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[5,6]C[6]O[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.7125	0.018	4	109.7125	0.000	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]2H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.1245	0.032	2	109.1245	0.001	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6]O[6]H)	108.8415	0.063	2	108.8415	0.004	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5335	0.056	2	107.3790	4.271	11	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	104.9115	0.076	2	107.3790	4.271	11	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.2100	0.011	2	107.3790	4.271	11	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	106.0920	1.072	4	107.3790	4.271	11	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){4|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4910	0.000	1	107.3790	4.271	11	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1825	0.011	2	109.2322	0.003	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH){2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2820	0.017	2	109.2322	0.003	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.5715	0.006	2	109.2695	0.122	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.9675	0.009	2	109.2695	0.122	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1990	0.000	1	109.1990	0.000	1	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.6573	1.920	3	108.6049	2.450	9	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	106.8860	1.895	2	108.6049	2.450	9	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5160	0.010	2	108.6049	2.450	9	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3340	0.006	2	108.6049	2.450	9	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.5530	0.007	2	109.5530	0.000	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2990	0.028	2	109.3536	0.012	31	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3574	0.112	29	109.3536	0.012	31	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.0210	0.000	1	109.0210	0.000	1	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|H<1>}	O[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3315	0.018	2	109.3315	0.000	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|Fe<7>,1|O<2>,3|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|Fe<7>,3|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.4735	0.176	4	108.8168	5.307	14	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){4|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.3350	0.088	2	108.8168	5.307	14	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]O[6]H)	107.2960	4.315	4	108.8168	5.307	14	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|Fe<7>,3|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.4218	0.147	4	108.8168	5.307	14	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]3)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6]3)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.0035	0.019	2	109.1910	0.030	6	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]3)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,3|C<4>}	O[6](C[6,6]C[6]3)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]O[6]H)	109.3875	0.015	2	109.1910	0.030	6	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]3)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|H<1>,3|C<4>}	O[6](C[6,6]C[6]3)(C[6]C[6]HH){5|C<4>,6|H<1>}	H(C[6]C[6]O[6]H)	109.1820	0.014	2	109.1910	0.030	6	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]O[6]3)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|H<1>,3|O<2>}	O[6](C[6,6]O[6]3)(C[6]C[6]HH){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	106.2717	2.540	4	106.2717	6.452	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]O[6]S[6]2)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|H<1>,2|S<2>}	O[6](C[6,6]O[6]S[6]2)(C[6]C[6]HH){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	106.4990	2.611	4	106.4990	6.815	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1980	0.000	1	109.1980	0.000	1	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,6]C[6]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	O[6](C[6,6]C[5,6]C[6]O[6])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	108.8075	0.008	2	108.8075	0.000	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.4035	0.150	4	108.9917	0.330	8	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	108.5800	0.544	4	108.9917	0.330	8	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]O[6]C)(O[6]C[6,6])(H)2{1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4700	0.011	2	109.4700	0.000	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]CH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.7130	0.007	2	109.7130	0.000	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6,6])(H)2{1|N<3>,1|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH){1|C<4>,1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2544	0.209	12	109.2544	0.044	12	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6,6])(H)2{1|H<1>,1|S<4>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2115	0.023	2	109.2115	0.001	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6]O[6]H)	109.2070	0.008	2	109.2070	0.000	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|N<3>,3|C<4>}	O[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.5170	0.028	3	109.5170	0.001	3	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3275	0.028	2	109.3275	0.001	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6]3)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|S<4>,3|C<4>}	O[6](C[6,6]C[6]3)(C[6]C[6]HH){1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]O[6]H)	109.2470	0.058	2	109.2470	0.003	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2948	0.170	6	109.2948	0.029	6	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]O[6]H)	104.9465	2.280	2	104.9465	5.200	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	110.0710	0.014	2	110.0148	0.004	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.9585	0.021	2	110.0148	0.004	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<4>,2|C<3>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3470	0.006	2	109.3470	0.000	2	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>}	O[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH){2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6]O[6]H)	109.6022	0.050	4	109.6022	0.002	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.6572	0.052	5	109.6611	0.002	8	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.6677	0.036	3	109.6611	0.002	8	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|S<2>}	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4254	0.213	8	109.4254	0.045	8	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6,6])(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>,2|O<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2120	0.027	4	109.2120	0.001	4	108.8294	3.438	269	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[3,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[6]C[3,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5790	0.018	2	109.5790	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3096	0.111	5	109.3096	0.012	5	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4040	0.196	4	109.4040	0.038	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	O[6](C[6]N[3,6]CC)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>}	O[6](C[6]N[3,6]CC)(C[6]C[6]HH){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.9753	0.107	4	109.9753	0.011	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	109.8060	0.000	1	109.8060	0.000	1	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[4,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[4,6]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.6815	0.006	2	109.6815	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HO)(O[6]C[6])(H)2	O[6](C[6]C[4,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[6]C[4,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	106.4580	1.820	2	106.4580	3.313	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,5,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5,6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3615	0.033	2	109.3615	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	O[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	107.2940	2.909	4	107.2940	8.463	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1965	0.036	2	109.1965	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5840	0.030	2	109.5840	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]BrH)(O[6]C[6])(H)2	O[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]BrH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[5,5,6]HH)(C[6]C[6]HH){1|Br<1>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]O[6]H)	107.3490	0.127	2	107.3490	0.016	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]CC)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|H<1>,4|C<4>}	O[6](C[6]C[5,6]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2510	0.048	5	109.2510	0.002	5	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3063	0.297	4	109.3063	0.088	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1660	0.054	2	109.1660	0.003	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.9368	0.261	8	109.1063	0.134	11	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5935	0.105	2	109.1063	0.134	11	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4880	0.000	1	109.1063	0.134	11	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4885	0.279	4	108.9739	1.402	11	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	108.1395	1.769	4	108.9739	1.402	11	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4003	0.081	3	108.9739	1.402	11	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2745	0.019	2	109.2745	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1737	0.105	4	109.1737	0.011	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O[6](C[6]C[6]HH)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4835	0.006	2	109.3257	0.033	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1680	0.030	2	109.3257	0.033	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	109.7125	0.032	2	109.7125	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]C[6a]H)(O[6]C[6])(H)2{1|H<1>,5|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]O[6]H)	108.9765	0.005	2	108.9765	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3900	0.040	2	109.3872	0.001	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3845	0.013	2	109.3872	0.001	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|N<3>,3|C<3>}	O[6](C[6]N[5a,6]C[6a]2)(C[6]C[6]HH){2|H<1>,6|C<3>}	H(C[6]C[6]O[6]H)	109.5415	0.144	4	109.5415	0.021	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]C)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a]N[6]C)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2843	0.039	4	109.2843	0.002	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.8210	0.045	2	109.8210	0.002	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]CC)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|H<1>,4|C<4>}	O[6](C[6]C[6,6]CC)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3640	0.027	2	109.3640	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.5265	0.047	2	108.5265	0.002	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6200	0.020	2	109.3800	0.077	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1400	0.007	2	109.3800	0.077	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3015	0.008	2	109.3966	0.042	28	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5111	0.096	7	109.3966	0.042	28	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.6815	0.030	2	109.3966	0.042	28	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2730	0.246	11	109.3966	0.042	28	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.3765	0.036	2	109.3966	0.042	28	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.4510	0.054	4	109.3966	0.042	28	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4605	0.016	2	109.4590	0.000	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.4575	0.028	2	109.4590	0.000	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1795	0.005	2	109.1795	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3982	0.080	6	109.3982	0.006	6	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	108.8618	0.554	4	109.1216	0.209	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3815	0.028	4	109.1216	0.209	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]HH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.8065	0.029	2	109.8065	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6535	0.019	2	109.6535	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.5920	0.034	2	109.5920	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.6239	0.074	12	109.6239	0.005	12	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6,6a]HO)(C[6]C[6]HH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.7021	1.903	8	108.7021	3.620	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	O[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.5140	0.000	1	109.5140	0.000	1	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[5]O[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5]O[6]C)(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]O[6]H)	109.3555	0.092	8	109.3555	0.008	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	109.4234	0.055	10	109.4234	0.003	10	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	109.3511	0.070	15	109.3777	0.008	19	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|S<2>,3|C<4>}	H(C[6]C[6]O[6]H)	109.4775	0.072	4	109.3777	0.008	19	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|H<1>,1|N<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	108.5420	0.054	2	108.5420	0.003	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.7100	0.000	1	109.7100	0.000	1	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]CH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]CH){1|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	108.9680	0.098	3	108.9680	0.010	3	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2215	0.022	2	108.6261	4.427	55	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	H(C[6]C[6]O[6]H)	109.0914	0.143	5	108.6261	4.427	55	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|Fe<5>,1|H<1>,1|O<3>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|Fe<5>,3|C<4>}	H(C[6]C[6]O[6]H)	107.5395	5.075	2	108.6261	4.427	55	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.1660	1.692	16	108.6261	4.427	55	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	H(C[6]C[6]O[6]H)	108.2934	2.335	30	108.6261	4.427	55	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){3|C<4>}	H(C[6]C[6]O[6]H)	109.3861	0.146	14	109.3861	0.021	14	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>}	H(C[6]C[6]O[6]H)	109.4472	0.155	4	109.3742	0.019	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	109.3658	0.135	35	109.3742	0.019	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	109.3358	0.134	9	109.4033	0.023	13	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){2|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	109.5553	0.020	4	109.4033	0.023	13	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2335	0.021	2	109.2335	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2380	0.014	2	109.2380	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3130	0.018	2	109.3130	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]O[6]H)	109.3960	0.035	2	109.3960	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.5831	0.088	7	109.5831	0.008	7	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.6615	0.064	4	109.6615	0.004	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	106.7320	3.917	2	108.6626	3.616	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]O[6]H)	109.3965	0.046	2	108.6626	3.616	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2610	0.034	4	108.6626	3.616	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2045	0.015	2	109.2045	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]O[6]H)	110.2097	2.947	4	107.9439	11.985	34	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]O[6]H)	108.9110	0.841	2	107.9439	11.985	34	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]O[6]H)	110.3100	4.385	4	107.9439	11.985	34	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]O[6]H)	107.0914	3.289	24	107.9439	11.985	34	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.4660	0.217	4	109.4660	0.047	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	108.7590	0.006	2	108.3175	0.390	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){2|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	107.8760	0.625	2	108.3175	0.390	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.1765	0.033	2	109.1765	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[3]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[3]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3590	0.000	1	109.3590	0.000	1	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2861	0.236	7	109.3431	0.055	9	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.5425	0.062	2	109.3431	0.055	9	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.6770	0.086	35	109.6539	0.018	64	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.6358	0.178	24	109.6539	0.018	64	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Mn<8>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.5786	0.172	5	109.6539	0.018	64	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2897	0.031	4	109.2897	0.001	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]HH){3|C<4>,5|H<1>}	H(C[6]C[6]O[6]H)	109.6455	0.021	2	109.6455	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CC)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	O[6](C[6]C[6]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	108.2425	2.943	6	108.2425	8.663	6	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1980	0.054	2	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5090	0.038	2	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	108.2742	2.110	4	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6513	0.120	4	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	107.7297	1.852	3	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2793	0.258	4	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3440	0.023	2	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5343	0.052	3	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4900	0.023	2	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5817	0.395	20	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3690	0.017	2	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4585	0.088	2	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.0806	0.576	18	109.2417	0.654	68	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CN)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CN)(C[6]C[6]HH){1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3840	0.014	2	109.4478	0.019	10	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CN)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CN)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4638	0.151	8	109.4478	0.019	10	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1860	0.235	4	109.1860	0.055	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3480	0.010	2	109.3185	0.001	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2890	0.025	2	109.3185	0.001	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3606	1.155	22	109.3473	1.221	24	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2015	0.083	2	109.3473	1.221	24	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HS)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HS){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3243	0.160	8	109.3243	0.025	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]HH){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5810	0.000	1	109.5810	0.000	1	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6055	0.092	33	109.6076	0.008	35	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6415	0.013	2	109.6076	0.008	35	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4005	0.035	2	109.7225	0.389	18	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.7627	0.652	16	109.7225	0.389	18	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]HP)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,1|P<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HP){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	110.0127	2.022	4	110.0127	4.089	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2315	0.084	4	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3190	0.048	3	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	105.3005	1.884	2	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2036	0.131	8	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3501	0.305	12	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2327	0.272	8	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<4>,3|H<1>}	O[6](C[6]C[6]HH)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5945	0.036	2	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5185	0.060	2	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3187	0.011	3	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4360	0.000	1	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.0772	0.628	16	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3455	0.067	6	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2747	0.091	4	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	108.9465	0.028	2	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1487	0.141	14	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	O[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3967	0.060	4	109.1513	0.481	91	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4555	0.005	2	109.3858	0.008	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3160	0.064	2	109.3858	0.008	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5200	0.081	4	109.5200	0.007	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]SeH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|Se<2>,1|C<4>,3|H<1>}	O[6](C[6]C[6]SeH)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.5365	0.825	2	108.5365	0.681	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3070	0.033	2	109.2572	0.030	5	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4900	0.000	1	109.2572	0.030	5	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0910	0.069	2	109.2572	0.030	5	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2010	0.027	2	109.1236	0.909	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3965	0.019	2	109.1236	0.909	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2805	0.123	4	109.1236	0.909	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2417	0.030	4	109.1236	0.909	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|F<1>,1|H<1>,2|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3195	0.053	4	109.1236	0.909	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1213	0.221	3	109.1236	0.909	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4138	0.143	4	109.1236	0.909	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	107.2662	2.478	4	109.1236	0.909	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3015	0.011	2	109.1236	0.909	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3345	0.013	4	109.1236	0.909	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	109.5660	0.037	4	109.1236	0.909	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.4845	0.023	2	109.1236	0.909	39	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5825	0.094	4	109.6152	0.015	61	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6175	0.126	57	109.6152	0.015	61	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	O[6](C[6]C[6a]S[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]H)	106.6480	2.324	2	106.6480	5.399	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3738	0.098	6	109.3580	0.017	11	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3390	0.171	5	109.3580	0.017	11	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[6]N[6a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.5420	0.027	2	109.4780	0.006	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	O[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	O[6](C[6]N[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4140	0.020	2	109.4780	0.006	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.4358	0.443	13	109.5349	0.783	17	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	110.1590	3.045	2	109.5349	0.783	17	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.5555	0.021	2	109.5349	0.783	17	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{2|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HO){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	109.6160	0.077	3	109.6160	0.006	3	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]O[6]H)	109.4260	0.044	2	109.4260	0.002	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	O[6](C[6]C[5a]O[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.8370	0.239	2	109.8370	0.057	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.4115	0.032	2	109.1514	0.797	12	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.6145	0.026	2	109.1514	0.797	12	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	107.3230	0.297	2	109.1514	0.797	12	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5235	0.736	2	109.1514	0.797	12	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.5180	0.151	4	109.1514	0.797	12	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3415	0.030	2	108.8248	1.060	35	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	108.7935	1.053	33	108.8248	1.060	35	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]H)	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[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.7100	0.204	4	109.5689	0.066	24	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]H)	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[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2970	0.000	1	109.5689	0.066	24	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]H)	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[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.4960	0.288	13	109.5689	0.066	24	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]H)	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[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.6782	0.146	6	109.5689	0.066	24	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]H)	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[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3287	0.037	4	109.4555	1.392	43	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.1380	0.106	3	109.4555	1.392	43	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.4950	1.346	33	109.4555	1.392	43	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	109.5073	0.189	3	109.4555	1.392	43	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HS)	H(C[6]C[6]O[6]H)	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[6](C[6]C[6]HH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	109.7790	0.014	2	109.7790	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.2820	0.000	1	109.2820	0.000	1	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]C[6]O[6]H)	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[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.8115	0.006	2	109.6828	0.111	6	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.6185	0.411	4	109.6828	0.111	6	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3415	0.013	2	109.3415	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[6]C[6]N[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	108.9165	0.087	2	108.9165	0.008	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{2|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.2110	0.228	4	109.2110	0.052	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	109.3100	0.138	4	109.5833	0.152	15	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]O[6]H)	109.3790	0.061	3	109.5833	0.152	15	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	109.7965	0.426	8	109.5833	0.152	15	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0295	0.274	4	109.0295	0.075	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HP)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HP)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,1|P<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4045	0.039	2	109.4045	0.002	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HP)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HP)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2350	0.007	2	109.2350	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HS)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8575	0.028	2	108.8575	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]MoH)(O[6]C[6])(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]MoH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]HH){1|Mo<10>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.8115	0.015	2	108.8115	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|N<2>,1|O<2>}	H(C[6]C[6]O[6]H)	108.3217	3.163	11	108.8335	9.148	15	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|N<3>,1|O<2>}	H(C[6]C[6]O[6]H)	110.2410	2.395	4	108.8335	9.148	15	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,1|N<2>,1|O<2>}	H(C[6]C[6]O[6]H)	109.7425	0.094	4	109.7425	0.009	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	109.4160	0.013	2	109.1797	0.034	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1010	0.134	6	109.1797	0.034	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1845	0.192	6	109.1845	0.037	6	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.3395	0.023	2	109.3395	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.6645	0.099	4	109.4916	0.042	12	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	109.4051	0.191	8	109.4916	0.042	12	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{3|C<3>,3|H<1>}	O[6](C[6]C[6]HH)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.2370	0.025	2	109.2370	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(H)2{2|H<1>,4|C<3>}	O[6](C[6]C[6]HH)2{1|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.7690	0.000	1	109.7690	0.000	1	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1625	0.008	2	109.1625	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0113	0.036	4	109.0113	0.001	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|H<1>,2|C<4>,3|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1027	0.039	3	109.1027	0.002	3	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.6835	0.018	2	109.6835	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2	O[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	109.3363	0.063	4	109.3363	0.004	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[3,6]C[6a]C)(O[6]C[6])(H)2	O[6](C[6]C[3,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[3,6]C[6a]C)(O[6]C[6])(H)2{1|H<1>,2|C<4>,3|C<3>}	O[6](C[6]C[3,6]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]O[6]H)	109.8125	0.047	2	109.8125	0.002	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[3,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[3,6]CO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[3,6]HH)(O[6]C[6])(H)2{1|O<2>,3|C<4>}	O[6](C[6]C[3,6]CO)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.6158	0.026	4	109.6158	0.001	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[4,4,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[4,4,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	108.9797	0.191	3	108.9797	0.037	3	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[4,6]HH)(O[6]C[6])(H)2{1|B<4>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2772	0.162	4	109.2772	0.026	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{2|H<1>,4|C<3>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]O[6]H)	109.5583	0.197	4	109.5583	0.039	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1685	0.032	2	109.3777	0.059	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HH){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5870	0.035	2	109.3777	0.059	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2833	0.188	3	109.2833	0.035	3	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]CH)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O[6](C[6]C[5a,6]CH)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	108.5010	1.522	4	108.5010	2.317	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]C[6a]H)(O[6]C[6])(H)2{1|N<2>,2|H<1>,3|C<3>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	109.4685	0.057	2	109.4685	0.003	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	107.7510	2.219	2	108.4040	2.210	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]HH){1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.0570	0.038	2	108.4040	2.210	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3893	0.076	6	109.3893	0.006	6	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5479	0.366	8	109.4711	0.055	20	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){2|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4417	0.045	6	109.4711	0.055	20	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4360	0.046	4	109.4711	0.055	20	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3230	0.011	2	109.4711	0.055	20	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2090	0.351	11	109.2090	0.123	11	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5525	0.887	2	109.5525	0.788	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[3x6]HH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	O[6](C[6]C[3x6]HH)(C[6]C[6]HH){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]O[6]H)	109.3380	0.018	2	109.3380	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.9248	0.411	6	108.7381	1.442	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.1780	2.901	2	108.7381	1.442	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.2170	0.000	1	109.2961	0.005	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3074	0.070	7	109.2961	0.005	8	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|S<4>,2|C<4>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5680	0.014	2	109.2640	0.056	6	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	109.1120	0.016	4	109.2640	0.056	6	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1995	0.081	2	108.9928	0.059	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	108.7860	0.030	2	108.9928	0.059	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6a]C[6]O)(C[6]C[6]HH){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.2325	0.015	2	109.2325	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	109.8250	0.000	1	107.8286	8.441	5	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	107.3295	3.097	4	107.8286	8.441	5	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1205	0.025	2	109.1205	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4390	0.125	20	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1281	0.971	1464	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2899	0.176	32	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3029	0.456	27	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<3>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3480	0.136	2	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2696	0.610	113	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<5>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4093	0.182	8	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<2>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3060	0.077	3	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3686	0.082	27	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3294	0.561	8	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5390	0.037	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4125	0.021	2	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3341	0.422	41	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2196	1.398	440	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cd<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2015	0.139	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cd<5>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2834	0.128	7	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cd<6>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2289	0.100	7	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Co<4>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3970	0.083	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Co<6>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3427	0.073	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Co<6>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3134	0.200	7	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<4>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4010	0.083	3	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<4>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3418	0.137	8	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3113	0.140	38	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<5>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3957	0.249	20	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Eu<13>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3240	0.037	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Fe<4>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3468	0.075	6	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Fe<5>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	108.8668	1.057	11	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ir<6>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3189	0.123	20	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ir<8>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3265	0.050	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Mn<5>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3703	0.013	3	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Mn<6>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4060	0.178	10	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Mn<7>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.0160	0.105	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	107.9709	2.675	8	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ni<4>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4391	0.161	30	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ni<5>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2908	0.048	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ni<6>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1165	0.387	25	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4472	0.046	6	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.5207	0.207	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pd<4>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4113	0.076	3	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pd<4>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4127	0.159	17	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pt<4>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.5143	0.031	3	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pt<6>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	108.7467	0.388	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ru<6>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3347	0.199	36	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ru<9>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	108.7777	1.547	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Si<4>,1|B<4>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	106.9733	3.750	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Te<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.6876	0.251	8	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|W<9>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3950	0.076	7	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<4>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2824	0.264	7	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<4>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3001	0.089	7	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<5>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4567	0.084	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<5>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2945	0.112	22	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<6>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4023	0.040	6	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	109.8560	0.173	6	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.1843	0.058	4	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.5030	0.000	1	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1875	0.646	895	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2403	1.016	253	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	O[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3179	0.600	64	109.1920	0.828	3787	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.3485	0.006	4	109.3485	0.000	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3800	0.020	2	109.3800	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>}	O[6](C[6]C[6a]C[6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.6675	0.029	2	109.6675	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(O[6]C[6])(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	109.3765	0.388	11	109.3765	0.150	11	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.6855	0.023	2	109.6855	0.001	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	106.3287	2.240	4	106.3287	5.018	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]N[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>}	O[6](C[6]C[6]N[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	109.6205	0.097	2	109.6205	0.009	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]O[6]H)	107.9565	1.469	2	107.9565	2.157	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	108.5000	2.101	4	108.5000	4.413	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4815	0.005	2	109.4815	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4085	0.011	2	109.2444	1.858	1915	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	107.3982	2.084	4	109.2444	1.858	1915	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	109.2436	1.378	1858	109.2444	1.858	1915	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{2|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.6700	0.007	2	109.2444	1.858	1915	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|O<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3499	0.252	15	109.2444	1.858	1915	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Li<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|O<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4542	0.126	6	109.2444	1.858	1915	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Li<4>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|O<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.3877	0.184	4	109.2444	1.858	1915	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Mg<4>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|O<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4062	0.161	20	109.2444	1.858	1915	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Mn<6>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|O<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.5020	0.303	4	109.2444	1.858	1915	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4995	0.022	2	109.4995	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HO)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{2|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	108.9795	0.013	2	108.9795	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|H<1>,1|N<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]HH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.6995	0.009	2	108.6995	0.000	2	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	109.0365	0.057	4	109.0365	0.003	4	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|B<4>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|S<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1913	0.175	3	108.9646	0.334	50	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|W<6>}	O[6](C[6]C[6]HH)2{1|S<4>,4|H<1>}	H(C[6]C[6]O[6]H)	108.4710	1.078	8	108.9646	0.334	50	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Os<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|S<3>,4|H<1>}	H(C[6]C[6]O[6]H)	108.5745	0.427	4	108.9646	0.334	50	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Os<4>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|S<3>,4|H<1>}	H(C[6]C[6]O[6]H)	108.9038	0.418	4	108.9646	0.334	50	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Os<4>,1|Os<5>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|S<4>,4|H<1>}	H(C[6]C[6]O[6]H)	108.7368	0.449	4	108.9646	0.334	50	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Pd<4>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|S<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.0346	0.143	7	108.9646	0.334	50	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Ru<6>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|S<3>,4|H<1>}	H(C[6]C[6]O[6]H)	109.1000	0.103	12	108.9646	0.334	50	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	O[6](C[6]C[6]HH)2	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{2|Os<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)2{1|S<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.4484	0.417	8	108.9646	0.334	50	109.2110	1.177	7052	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]BrC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrC)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	O[6](C[6]C[6]HH)(P[6]O[6]OO){1|Br<1>,2|C<4>}	H(C[6]C[6]O[6]H)	109.2177	0.051	3	109.2177	0.003	3	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]CO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	H(C[6]C[6]O[6]H)	108.8918	0.122	4	109.2339	0.036	215	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]CO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	H(C[6]C[6]O[6]H)	109.2254	0.215	107	109.2339	0.036	215	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]CO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HH)(P[6]O[6]CO){3|C<4>}	H(C[6]C[6]O[6]H)	109.2558	0.147	104	109.2339	0.036	215	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]NO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O[6](C[6]C[6]HH)(P[6]O[6]NO){3|C<4>}	H(C[6]C[6]O[6]H)	109.0362	0.063	9	109.0451	0.004	11	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]NO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O[6](C[6]C[6]HH)(P[6]O[6]NO){3|C<4>}	H(C[6]C[6]O[6]H)	109.0850	0.004	2	109.0451	0.004	11	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]NS)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<1>}	O[6](C[6]C[6]HH)(P[6]O[6]NS){3|C<4>}	H(C[6]C[6]O[6]H)	109.1310	0.000	1	109.2199	0.043	9	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]NS)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|N<3>,1|O<2>,1|S<1>,2|H<1>}	O[6](C[6]C[6]HH)(P[6]O[6]NS){3|C<4>}	H(C[6]C[6]O[6]H)	109.2310	0.220	8	109.2199	0.043	9	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>}	O[6](C[6]C[6]HH)(P[6]O[6]OO){3|C<4>}	H(C[6]C[6]O[6]H)	109.1600	0.055	2	108.5319	3.283	36	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	O[6](C[6]C[6]HH)(P[6]O[6]OO){3|C<4>}	H(C[6]C[6]O[6]H)	108.4117	1.929	31	108.5319	3.283	36	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	O[6](C[6]C[6]HH)(P[6]O[6]OO){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	109.3553	0.070	3	108.5319	3.283	36	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]OS)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|S<1>,2|H<1>,2|O<2>}	O[6](C[6]C[6]HH)(P[6]O[6]OS){3|C<4>}	H(C[6]C[6]O[6]H)	109.3988	0.665	4	109.3988	0.443	4	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]SS)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<1>,1|S<2>}	O[6](C[6]C[6]HH)(P[6]O[6]SS){3|C<4>}	H(C[6]C[6]O[6]H)	109.1320	0.010	2	109.1320	0.000	2	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]N[6]CO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O[6](C[6]C[6]HH)(P[6]N[6]CO){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.7210	0.033	2	109.7210	0.001	2	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]N[6]NN)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|N<3>,2|H<1>,2|N<2>}	O[6](C[6]C[6]HH)(P[6]N[6]NN){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.7170	0.054	2	109.7170	0.003	2	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]N[6]NO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|N<3>}	O[6](C[6]C[6]HH)(P[6]N[6]NO){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.6440	0.008	2	109.6440	0.000	2	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]C[6]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]P[6])(H)2{1|C<4>,2|H<1>,2|O<1>}	O[6](C[6]C[6]HH)(P[6]C[6]OO){1|C<4>,1|F<1>,1|N<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.5625	0.016	4	109.5203	0.005	6	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]C[6]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]P[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]HH)(P[6]C[6]OO){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.4360	0.049	2	109.5203	0.005	6	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]OO)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	O[6](C[6]C[6]HH)(P[6]O[6]OO){1|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	109.6702	0.068	4	109.5125	0.053	11	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]O[6]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]OO)(O[6]P[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	O[6](C[6]C[6]HH)(P[6]O[6]OO){1|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	109.4223	0.245	7	109.5125	0.053	11	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]C[6]HO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(P[6]C[6]HO){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	108.7540	0.280	2	108.7540	0.078	2	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]P[6])(H)2	O[6](C[6]C[6]HH)(P[6]C[6]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	O[6](C[6]C[6]HH)(P[6]C[6]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4009	0.259	8	109.4009	0.067	8	109.1727	0.467	313	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]S[6])(H)2	O[6](C[6]C[6]HH)(S[6]O[6]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]S[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	O[6](C[6]C[6]HH)(S[6]O[6]OO){3|C<4>}	H(C[6]C[6]O[6]H)	105.1045	2.664	4	105.1045	7.096	4	108.0893	6.825	12	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(H)2	O[6](C[6]C[6]HH)(S[6]N[6]OO)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	O[6](C[6]C[6]HH)(S[6]N[6]OO){1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.7687	0.071	4	109.7687	0.005	4	108.0893	6.825	12	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]S[6])(H)2	O[6](C[6]C[6]HH)(S[6]N[6]OO)	H(C[6]C[6]O[6]H)	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[6](C[6]C[6]HH)(S[6]N[6]OO){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	109.3948	0.112	4	109.3948	0.012	4	108.0893	6.825	12	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	Ga[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]Ga[6])(H)2	O[6](Ga[6]N[6]CC)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]Ga[6])(H)2{1|N<4>,2|C<4>,2|H<1>}	O[6](Ga[6]N[6]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	108.9300	0.066	2	108.9300	0.004	2	108.9750	0.004	4	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	Ga[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]Ga[6])(H)2	O[6](Ga[6]C[5,6]CC)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]HH)(O[6]Ga[6])(H)2{1|C<3>,3|C<4>}	O[6](Ga[6]C[5,6]CC)(C[6]C[6]HH){2|H<1>,2|N<3>}	H(C[6]C[6]O[6]H)	109.0200	0.013	2	109.0200	0.000	2	108.9750	0.004	4	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[5,6])(H)2	O[6](P[5,6]N[5,6]N[5]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[5,6])(H)2{1|O<1>,2|H<1>,2|N<3>}	O[6](P[5,6]N[5,6]N[5]O)(C[6]C[6]HH){2|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrN)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrN)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,2|P<4>}	H(C[6]C[6]O[6]H)	109.8058	0.011	4	109.8058	0.000	4	109.5143	0.133	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){2|P<4>,3|C<4>}	H(C[6]C[6]O[6]H)	109.3289	0.216	16	109.3289	0.047	16	109.5143	0.133	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|H<1>,2|C<4>,2|P<4>}	H(C[6]C[6]O[6]H)	109.1640	0.190	3	109.1640	0.036	3	109.5143	0.133	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]O[6]H)	109.6636	0.129	33	109.6332	0.031	35	109.5143	0.133	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|O<3>,2|H<1>,2|N<2>}	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,3|P<4>}	H(C[6]C[6]O[6]H)	109.1320	0.013	2	109.6332	0.031	35	109.5143	0.133	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|H<1>,3|P<4>}	H(C[6]C[6]O[6]H)	109.6078	0.365	6	109.4830	0.195	72	109.5143	0.133	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|P<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.4079	0.512	46	109.4830	0.195	72	109.5143	0.133	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	O[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]O[6]H)	109.6885	0.052	2	109.4830	0.195	72	109.5143	0.133	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]3)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{2|H<1>,3|N<2>}	O[6](P[6,6]N[6]3)(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]O[6]H)	109.6104	0.190	18	109.4830	0.195	72	109.5143	0.133	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]P[6,6])(H)2{1|O<2>,2|C<3>,2|H<1>,2|N<2>}	O[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	H(C[6]C[6]O[6]H)	109.7505	0.043	4	109.7505	0.002	4	109.5143	0.133	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]C[4,5]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6](P[6]C[4,5]O[6]O)(C[6]C[6]HH){1|C<3>,5|C<4>}	H(C[6]C[6]O[6]H)	109.3204	0.073	8	109.3204	0.005	8	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]C[4]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6](P[6]C[4]O[6]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	109.2765	0.151	4	109.2765	0.023	4	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]C[5,6]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6](P[6]C[5,6]O[6]O)(C[6]C[6]HH){2|C<3>,4|C<4>}	H(C[6]C[6]O[6]H)	108.9815	0.226	11	108.9815	0.051	11	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]C[5]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6](P[6]C[5]O[6]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	109.2060	0.126	4	109.2060	0.016	4	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]C[5a]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O[6](P[6]C[5a]O[6]O)(C[6]C[6]HH){2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	109.1275	0.089	4	109.1275	0.008	4	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]C[6,6]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6](P[6]C[6,6]O[6]O)(C[6]C[6]HH){2|C<3>,4|C<4>}	H(C[6]C[6]O[6]H)	109.2322	0.038	4	109.2322	0.001	4	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH){1|C<3>,4|C<4>}	H(C[6]C[6]O[6]H)	109.2359	0.153	12	109.1239	0.068	22	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH){2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	108.9470	0.268	3	109.1239	0.068	22	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH){1|C<3>,5|C<4>}	H(C[6]C[6]O[6]H)	109.2293	0.132	4	109.1239	0.068	22	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[6](P[6]C[6]O[6]O)(C[6]C[6]HH){2|C<3>,4|C<4>}	H(C[6]C[6]O[6]H)	108.7120	0.301	3	109.1239	0.068	22	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]N[5a]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O[6](P[6]N[5a]O[6]O)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>}	H(C[6]C[6]O[6]H)	108.9463	0.181	4	108.9463	0.033	4	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]N[6]O[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O[6](P[6]N[6]O[6]O)(C[6]C[6]HH){5|C<4>}	H(C[6]C[6]O[6]H)	109.1325	0.043	2	109.1325	0.002	2	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]N[6]O[6]S)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|N<3>,1|O<2>,1|S<1>,2|H<1>}	O[6](P[6]N[6]O[6]S)(C[6]C[6]HH){5|C<4>}	H(C[6]C[6]O[6]H)	109.3675	0.092	4	109.3675	0.009	4	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]ClO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O[6](P[6]O[6]ClO)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	106.2560	2.752	2	106.2560	7.574	2	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]SeN)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,1|N<2>,1|O<2>,2|H<1>}	O[6](P[6]O[6]SeN)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	109.3715	0.086	4	109.3858	0.011	8	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]SeN)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,1|N<3>,1|O<2>,2|H<1>}	O[6](P[6]O[6]SeN)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	109.4000	0.137	4	109.3858	0.011	8	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]SeO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,2|H<1>,2|O<2>}	O[6](P[6]O[6]SeO)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	109.4055	0.075	12	109.3837	0.010	16	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]SeO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<2>,1|O<1>,1|O<2>,2|H<1>}	O[6](P[6]O[6]SeO)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	109.3183	0.144	4	109.3837	0.010	16	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	O[6](P[6]O[6]SeO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|Se<2>,1|O<1>,1|O<2>,2|H<1>}	O[6](P[6]O[6]SeO)(C[6]C[6]HH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	104.7133	3.965	4	104.7133	15.722	4	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	O[6](P[6]O[6]SeS)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|Se<2>,1|O<2>,1|S<1>,2|H<1>}	O[6](P[6]O[6]SeS)(C[6]C[6]HH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.6012	0.371	29	109.6012	0.138	29	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2	O[6](P[6]C[6a]C[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[6](P[6]C[6a]C[6]O)(C[6]C[6]HH){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	108.8480	1.045	2	108.8480	1.092	2	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]P[6])(H)2	O[6](P[6]C[6a]C[6]O)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CC)(O[6]P[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](P[6]C[6a]C[6]O)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	107.9403	1.280	6	107.9403	1.639	6	109.0548	1.367	134	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	S[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(O[6]S[6])(H)2	O[6](S[6]C[5,6,6]OO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,5,6,6]HH)(O[6]S[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|O<1>}	O[6](S[6]C[5,6,6]OO)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	109.9610	0.037	2	109.9610	0.001	2	109.8692	0.035	11	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	S[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]S[6])(H)2	O[6](S[6]N[5,6]OO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	O[6](S[6]N[5,6]OO)(C[6]C[6]HH){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	109.8488	0.204	9	109.8488	0.042	9	109.8692	0.035	11	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	Si[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2	O[6](Si[6]C[3x6]CC)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2{1|C<3>,4|C<4>}	O[6](Si[6]C[3x6]CC)(C[6]C[6]HH){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	108.6650	0.078	6	108.6650	0.006	6	108.8588	0.066	10	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	Si[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]Si[6])(H)2	O[6](Si[6]O[6]CC)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	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[6](Si[6]O[6]CC)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	109.1495	0.038	4	109.1495	0.001	4	108.8588	0.066	10	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	C[6]-4:O[6]-2:H-1:I-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)(I)	O[6](C[6]C[6]CH)(C[6]C[6]HI)	H(C[6]C[6]O[6]I)	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[6](C[6]C[6]CH)(C[6]C[6]HI){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]I)	107.0160	0.000	2	107.0160	0.000	2	107.0160	0.000	2	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	P[6]-4:O[6]-2:H-1:H-1:	B[5a,6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(O[6]B[5a,6])(H)2	O[6](B[5a,6]C[6,6a]O[5a]2)(C[6]P[6]HH)	H(C[6]O[6]P[6]H)	C[6](P[6]C[6,6a]C[6a]2)(O[6]B[5a,6])(H)2{2|O<2>,6|C<3>}	O[6](B[5a,6]C[6,6a]O[5a]2)(C[6]P[6]HH){6|C<3>}	H(C[6]O[6]P[6]H)	109.9010	0.031	2	109.9010	0.001	2	109.9010	0.001	2	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	P[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6]OO)(O[6]C[6])(H)2	O[6](C[6]P[6]HH)2	H(C[6]O[6]P[6]H)	C[6](P[6]C[6]OO)(O[6]C[6])(H)2{1|P<4>,4|H<1>}	O[6](C[6]P[6]HH)2{1|C<4>,2|O<1>,2|O<2>}	H(C[6]O[6]P[6]H)	109.2599	0.270	7	109.2599	0.073	7	109.4423	0.090	15	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	P[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]O[6]OO)(O[6]C[6])(H)2	O[6](C[6]C[6]CH)(C[6]P[6]HH)	H(C[6]O[6]P[6]H)	C[6](P[6]O[6]OO)(O[6]C[6])(H)2{1|H<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]P[6]HH){1|O<1>,2|H<1>,2|O<2>}	H(C[6]O[6]P[6]H)	109.6020	0.236	8	109.6020	0.056	8	109.4423	0.090	15	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	4:4:	4:	P[6]-4:O[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6]CS)(O[6]P[6,6])(H)2	O[6](P[6,6]N[6]2O[6])(C[6]P[6]HH)	H(C[6]O[6]P[6]H)	C[6](P[6]C[6]CS)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	O[6](P[6,6]N[6]2O[6])(C[6]P[6]HH){1|S<1>,2|C<4>,2|P<4>}	H(C[6]O[6]P[6]H)	109.3680	0.207	3	109.3680	0.043	3	109.3680	0.043	3	109.2034	1.265	9127	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	5:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[5,6]-5:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[5,6])(H)2	O[6](P[5,6]O[5]2O[6]N)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[5,6])(H)2{1|N<3>,2|H<1>,3|O<2>}	O[6](P[5,6]O[5]2O[6]N)(C[6]C[6]HH){2|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	109.1590	0.076	4	109.1590	0.006	4	109.1590	0.006	4	109.2374	0.062	165	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	5:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-5:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]DyCO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Dy<13>,1|C<3>,2|H<1>,2|O<2>}	O[6](P[6]O[6]DyCO)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	109.2424	0.233	20	109.2424	0.054	20	109.2393	0.064	161	109.2374	0.062	165	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	5:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-5:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]ErCO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Er<13>,1|C<3>,2|H<1>,2|O<2>}	O[6](P[6]O[6]ErCO)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	109.3024	0.361	21	109.3024	0.131	21	109.2393	0.064	161	109.2374	0.062	165	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	5:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-5:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]GdCO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Gd<13>,1|C<3>,2|H<1>,2|O<2>}	O[6](P[6]O[6]GdCO)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	109.2365	0.270	18	109.2365	0.073	18	109.2393	0.064	161	109.2374	0.062	165	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	5:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-5:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]HoCO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Ho<13>,1|C<3>,2|H<1>,2|O<2>}	O[6](P[6]O[6]HoCO)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	109.3188	0.205	20	109.3188	0.042	20	109.2393	0.064	161	109.2374	0.062	165	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	5:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-5:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]LaCO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|La<14>,1|C<3>,2|H<1>,2|O<2>}	O[6](P[6]O[6]LaCO)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	109.2270	0.198	22	109.2270	0.039	22	109.2393	0.064	161	109.2374	0.062	165	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	5:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-5:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]NdCO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Nd<14>,1|C<3>,2|H<1>,2|O<2>}	O[6](P[6]O[6]NdCO)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	109.1630	0.170	22	109.1630	0.029	22	109.2393	0.064	161	109.2374	0.062	165	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	5:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-5:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]PrCO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Pr<14>,1|C<3>,2|H<1>,2|O<2>}	O[6](P[6]O[6]PrCO)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	109.1764	0.185	18	109.1764	0.034	18	109.2393	0.064	161	109.2374	0.062	165	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:1:1:	5:4:	4:	C[6]-4:O[6]-2:H-1:H-1:	P[6]-5:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	O[6](P[6]O[6]TbCO)(C[6]C[6]HH)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Tb<13>,1|C<3>,2|H<1>,2|O<2>}	O[6](P[6]O[6]TbCO)(C[6]C[6]HH){3|C<4>}	H(C[6]C[6]O[6]H)	109.2472	0.329	20	109.2472	0.108	20	109.2393	0.064	161	109.2374	0.062	165	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	N[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H)	O[6](N[5,6]C[5,5,6]O[5])(C[6]C[5,6]HO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](N[5,6]C[5,5,6]O[5])(C[6]C[5,6]HO){1|H<1>,5|C<4>}	H(C[6]C[5,6]O[6]O)	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	107.5027	11.919	3	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	N[4,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H)	O[6](N[4,6]C[4,6]C[4])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](N[4,6]C[4,6]C[4])(C[6]C[6]HO){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]O)	110.6910	0.000	1	110.6910	0.000	1	110.6910	0.000	1	107.5027	11.919	3	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	N[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[5,6])(OC)(H)	O[6](N[5,6]C[5,6]O[5])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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>}	O[6](N[5,6]C[5,6]O[5])(C[6]C[6]HO){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]O)	103.8360	0.000	1	103.8360	0.000	1	103.8360	0.000	1	107.5027	11.919	3	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H)	O[6](C[6]C[6]HO)(N[6]C[6]O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6]HO)(N[6]C[6]O){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	108.9270	0.000	1	108.9270	0.000	1	108.8405	0.015	2	108.8405	0.015	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H)	O[6](C[6]C[6]HO)(N[6]C[6]O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	O[6](C[6]C[6]HO)(N[6]C[6]O){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	108.7540	0.000	1	108.7540	0.000	1	108.8405	0.015	2	108.8405	0.015	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[3,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5,6]N[3,5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[3,6]HO)(C[6]C[5,6]CH)	H(C[6]C[3,6]O[6]O)	C[6](C[3,6]C[3,5,6]N[3,5]H)(O[6]C[6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[3,6]HO)(C[6]C[5,6]CH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[3,6]O[6]O)	108.7450	0.689	2	108.7450	0.474	2	108.7450	0.474	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H)	O[6](C[6]C[3x6]HO)(C[6]C[6,6]HH)	H(C[6]C[3x6]O[6]O)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H){5|C<4>,6|H<1>}	O[6](C[6]C[3x6]HO)(C[6]C[6,6]HH){1|C<3>,4|C<4>}	H(C[6]C[3x6]O[6]O)	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[4]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[4]C[4]2H)(O[6]C[6])2(H)	O[6](C[6]C[4]O[6]H)2	H(C[6]C[4]O[6]2)	C[6](C[4]C[4]2H)(O[6]C[6])2(H){1|O<2>,3|C<4>,6|H<1>}	O[6](C[6]C[4]O[6]H)2{2|H<1>,5|C<4>}	H(C[6]C[4]O[6]2)	109.8150	0.000	1	109.8150	0.000	1	109.8150	0.000	1	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)	H(C[6]C[5,5,6]O[6]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,5,6]O[6]O)	108.6170	0.000	2	108.3655	0.084	4	108.3655	0.084	4	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)	H(C[6]C[5,5,6]O[6]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,5,6]O[6]O)	108.1140	0.000	2	108.3655	0.084	4	108.3655	0.084	4	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HO){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]O)	109.3840	0.000	1	109.3840	0.000	1	109.4655	0.013	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HO){2|H<1>,4|C<4>}	H(C[6]C[5,6]O[6]O)	109.5470	0.000	1	109.5470	0.000	1	109.4655	0.013	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,1|P<4>,1|S<4>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[5,6]O[6]O)	108.7420	0.000	1	108.7420	0.000	1	108.3252	2.839	5	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]O[6]O)	110.1300	0.000	1	107.8345	10.539	2	108.3252	2.839	5	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){2|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]O[6]O)	105.5390	0.000	1	107.8345	10.539	2	108.3252	2.839	5	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]O[6]O)	108.6075	0.059	2	108.6075	0.003	2	108.3252	2.839	5	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6,6]HO){1|C<3>,3|C<4>}	H(C[6]C[5,6]O[6]O)	110.5020	0.000	1	110.5020	0.000	1	108.0803	2.792	9	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H){4|C<4>,4|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[5,6]HO){1|H<1>,4|C<4>}	H(C[6]C[5,6]O[6]O)	110.2440	0.000	1	110.2440	0.000	1	108.0803	2.792	9	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]HH)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[5,6]O[6]O)	107.5250	0.000	1	107.5250	0.000	1	108.0803	2.792	9	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]CH)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5,6]O[6]O)	106.8280	0.000	1	107.4087	1.755	6	108.0803	2.792	9	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]CH)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[5,6]HO)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]O)	107.5248	1.447	5	107.4087	1.755	6	108.0803	2.792	9	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HS)	H(C[6]C[5,6]O[6]S)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HS){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]O[6]S)	108.1890	0.000	1	107.5840	0.732	2	107.5840	0.732	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HS)	H(C[6]C[5,6]O[6]S)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(SC[6a])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HS){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]O[6]S)	106.9790	0.000	1	107.5840	0.732	2	107.5840	0.732	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(SC)(H)	O[6](C[6]C[5,6]HS)(C[6]C[6]CH)	H(C[6]C[5,6]O[6]S)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(SC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HS)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]O[6]S)	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|I<1>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.7548	0.507	4	109.4232	0.383	17	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|O<2>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.5300	0.781	2	109.4232	0.383	17	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|P<4>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.7270	0.000	1	109.4232	0.383	17	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|Si<4>,1|I<1>,3|H<1>,4|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.3510	0.000	1	109.4232	0.383	17	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|Si<4>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.8065	0.398	2	109.4232	0.383	17	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|Si<4>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.8185	0.257	2	109.4232	0.383	17	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){2|P<3>,3|H<1>,4|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.5740	0.000	1	109.4232	0.383	17	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){4|H<1>,5|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	108.5532	0.318	4	109.4232	0.383	17	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|I<1>,3|C<4>,5|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.3855	0.009	2	109.4614	0.227	29	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|I<1>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.6532	0.479	4	109.4614	0.227	29	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|O<2>,3|C<4>,5|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.0785	0.031	4	109.4614	0.227	29	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|O<2>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.5400	0.679	2	109.4614	0.227	29	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|P<4>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.7140	0.000	1	109.4614	0.227	29	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|Si<4>,1|I<1>,3|H<1>,4|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.3220	0.000	1	109.4614	0.227	29	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|Si<4>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.8240	0.270	2	109.4614	0.227	29	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){1|Si<4>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.8605	0.250	2	109.4614	0.227	29	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){2|P<3>,3|H<1>,4|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.5080	0.000	1	109.4614	0.227	29	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Fe)(O[6]C[6])2(H){3|C<4>,6|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.3691	0.628	10	109.4614	0.227	29	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H){1|I<1>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Mn<8>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.8070	0.000	1	109.8580	0.019	3	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H){1|P<3>,3|H<1>,5|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Mn<8>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	110.0140	0.000	1	109.8580	0.019	3	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H){1|P<3>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Mn<8>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.7530	0.000	1	109.8580	0.019	3	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H){1|I<1>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Mn<8>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.8160	0.000	1	109.8517	0.020	3	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H){1|P<3>,3|H<1>,5|C<4>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Mn<8>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	110.0070	0.000	1	109.8517	0.020	3	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[5]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH)	H(C[6]C[5]O[6]2)	C[6](C[5]C[5]2Mn)(O[6]C[6])2(H){1|P<3>,4|C<4>,4|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]HH){1|Mn<8>,2|H<1>,3|C<4>}	H(C[6]C[5]O[6]2)	109.7320	0.000	1	109.8517	0.020	3	109.4943	0.264	52	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[3,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[3,6])(OC)(H)	O[6](C[3,6]C[3]2C[6])(C[6]C[6,6]HO)	H(C[6]C[6,6]O[6]O)	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>}	O[6](C[3,6]C[3]2C[6])(C[6]C[6,6]HO){2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]O[6]O)	105.2330	0.000	1	105.2330	0.000	1	105.2330	0.000	1	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HO)	H(C[6]C[6,6]O[6]O)	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>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HO){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]O)	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H){4|C<4>,4|H<1>}	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO){1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]O[6]O)	109.1220	0.000	1	109.1220	0.000	1	104.7615	38.028	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)	H(C[6]C[6,6]O[6]O)	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO){2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6]O[6]O)	100.4010	0.000	1	100.4010	0.000	1	104.7615	38.028	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6,6]HO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]O)	108.2540	0.000	1	108.2540	0.000	1	108.9134	0.375	7	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HO)	H(C[6]C[6,6]O[6]O)	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>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HO){6|C<4>}	H(C[6]C[6,6]O[6]O)	109.6770	0.000	1	109.6770	0.000	1	108.9134	0.375	7	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]CH)	H(C[6]C[6,6]O[6]O)	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>}	O[6](C[6]C[6,6]HO)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]O)	108.6830	0.181	2	108.6830	0.033	2	108.9134	0.375	7	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]CC)	H(C[6]C[6,6]O[6]O)	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>}	O[6](C[6]C[6,6]HO)(C[6]C[6]CC){1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6,6]O[6]O)	108.2000	0.000	1	109.0323	0.526	3	108.9134	0.375	7	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]CC)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H){2|H<1>,5|C<4>}	O[6](C[6]C[6,6]HO)(C[6]C[6]CC){1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6,6]O[6]O)	109.4485	0.114	2	109.0323	0.526	3	108.9134	0.375	7	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6,6]HS)(C[6]C[6]CH)	H(C[6]C[6,6]O[6]S)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(SC[6a])(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[6,6]HS)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]S)	110.4240	0.000	1	110.4240	0.000	1	108.6945	5.982	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6,6]HH)(C[6]C[6,6]HS)	H(C[6]C[6,6]O[6]S)	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(SC[6a])(H){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6]HH)(C[6]C[6,6]HS){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]O[6]S)	106.9650	0.000	1	106.9650	0.000	1	108.6945	5.982	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CC)(H)	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CC)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CN)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CN)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]O[6]C)	104.6240	0.000	1	104.6240	0.000	1	104.6240	0.000	1	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H)	O[6](C[6]C[5,6]CC)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[5,6]CC)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.5670	0.000	1	109.5670	0.000	1	108.5442	0.799	5	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(CC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]BrH)(O[6]C[6])(CC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	109.1050	0.000	1	109.1050	0.000	1	108.5442	0.799	5	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]CH)2{1|C<3>,4|H<1>}	H(C[6]C[6]O[6]C)	107.6825	0.573	2	107.6825	0.329	2	108.5442	0.799	5	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.6840	0.000	1	108.6840	0.000	1	108.5442	0.799	5	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HN){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]O[6]N)	107.2620	0.000	1	107.2620	0.000	1	107.4530	0.073	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]N)	107.6440	0.000	1	107.6440	0.000	1	107.4530	0.073	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]N)	109.5080	0.000	1	109.5080	0.000	1	109.5491	0.997	17	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]N)	108.7670	0.000	1	108.7670	0.000	1	109.5491	0.997	17	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	109.5162	0.845	6	109.5162	0.714	6	109.5491	0.997	17	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	111.2860	0.000	1	111.2860	0.000	1	109.5491	0.997	17	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	110.2380	1.394	2	109.3210	1.268	7	109.5491	0.997	17	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	108.9542	0.909	5	109.3210	1.268	7	109.5491	0.997	17	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	110.4300	0.000	1	110.4300	0.000	1	109.5491	0.997	17	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[3,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H)	O[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[3,6]C[3]2C[6])(C[6]C[6]HO){1|C<4>,3|O<2>,5|H<1>}	H(C[6]C[6]O[6]O)	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H)	O[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H){1|H<1>,2|C<3>,2|C<4>}	O[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HO){1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6]O[6]O)	108.7340	0.000	1	108.7340	0.000	1	108.5657	0.023	3	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H)	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H){2|C<4>,3|H<1>}	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HO){3|H<1>,5|C<4>}	H(C[6]C[6]O[6]O)	108.4815	0.060	2	108.4815	0.004	2	108.5657	0.023	3	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H)	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	109.5122	0.214	4	109.5122	0.046	4	109.5122	0.046	4	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	108.7758	0.113	4	108.7758	0.013	4	108.8739	0.197	13	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|C<4>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]O)	110.2070	0.000	1	110.2070	0.000	1	108.8739	0.197	13	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	108.3130	0.000	1	108.3130	0.000	1	108.8739	0.197	13	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H){2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	108.8380	0.181	6	108.8380	0.033	6	108.8739	0.197	13	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H){2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HO){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	108.7100	0.000	1	108.7100	0.000	1	108.8739	0.197	13	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]O)	108.4550	0.330	2	108.4550	0.109	2	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]O[6]O)	107.8580	0.280	5	107.8580	0.078	5	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]O[6]O)	109.0130	1.916	2	109.0130	3.672	2	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO){1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]O[6]O)	108.1920	0.000	1	108.1920	0.000	1	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H){1|H<1>,2|C<4>,2|S<2>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){3|C<4>,5|H<1>}	H(C[6]C[6]O[6]O)	109.3940	0.000	1	109.3940	0.000	1	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]O)	109.9410	0.144	2	109.9410	0.021	2	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]O)	108.7620	0.000	1	108.7620	0.000	1	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|F<1>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	109.3920	0.348	2	109.3920	0.121	2	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]O[6]O)	108.3940	0.000	1	106.9292	2.767	6	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]O)	109.5260	0.000	1	106.9292	2.767	6	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]O[6]O)	105.9137	0.523	4	106.9292	2.767	6	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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>}	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]O)	110.9820	0.000	1	110.9820	0.000	1	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6]O[6]O)	104.5560	0.110	2	104.5560	0.012	2	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	108.7665	0.012	2	108.7096	0.805	23	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	108.6490	0.000	1	108.7096	0.805	23	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	108.6856	0.246	8	108.7096	0.805	23	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	109.8380	0.868	3	108.7096	0.805	23	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	108.5869	1.178	7	108.7096	0.805	23	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	107.5155	0.811	2	108.7096	0.805	23	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	108.6240	0.000	1	108.6894	0.442	14	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	108.6944	0.691	13	108.6894	0.442	14	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	109.1875	0.026	2	109.1875	0.001	2	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	109.3780	0.741	3	109.3780	0.549	3	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	109.1080	0.000	1	109.1080	0.000	1	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	110.7220	0.000	1	110.7220	0.000	1	108.5394	1.676	69	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[3,6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[3,6]CH)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	108.5615	0.395	2	108.5615	0.156	2	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]C[6]C)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H){1|C<3>,4|C<4>}	O[6](C[6]C[6,6]C[6]C)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]O)	110.1660	0.000	1	110.1660	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	109.5000	0.000	1	109.6245	0.031	2	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]O)	109.7490	0.000	1	109.6245	0.031	2	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]O)	109.0170	0.000	1	109.0170	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	109.7366	0.969	5	109.7366	0.940	5	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	108.8400	0.160	3	108.8400	0.026	3	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	110.2723	0.403	3	110.2723	0.162	3	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	110.4915	0.120	2	110.4915	0.014	2	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[5,6]C[5]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]C[5]H)(C[6]C[6]HO){2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]O[6]O)	108.8380	0.000	1	108.8380	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]HO){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]O)	107.7920	0.000	1	107.7920	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HO){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]O)	110.3030	0.000	1	110.3030	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	109.1435	0.353	2	109.1435	0.125	2	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	108.5757	0.085	3	108.5757	0.007	3	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H){2|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]HO){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]O)	107.0857	3.292	3	107.0857	10.838	3	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]O)	108.0530	0.174	2	108.0530	0.030	2	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]HO)(C[6]O[6]CH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]O[6]CH){3|C<4>}	H(C[6]C[6]O[6]O)	109.3640	0.000	1	109.3640	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	109.7664	0.383	5	109.8010	0.102	7	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]O)	109.8875	0.056	2	109.8010	0.102	7	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]O)	107.7980	0.000	1	108.2180	0.353	2	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]O)	108.6380	0.000	1	108.2180	0.353	2	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]O)	108.7850	0.000	1	108.7850	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){2|O<2>,3|C<4>}	H(C[6]C[6]O[6]O)	110.5960	0.000	1	110.5960	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,4|F<1>}	H(C[6]C[6]O[6]O)	111.4620	0.000	1	111.4620	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]O[6]O)	109.8585	1.091	2	109.8585	1.190	2	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	110.9520	0.079	2	110.9520	0.006	2	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]O[6]O)	110.0530	0.855	4	110.0530	0.731	4	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,1|N<3>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]O)	108.0200	0.000	1	108.9554	1.091	18	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]O)	107.7877	0.206	3	108.9554	1.091	18	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]O)	109.9415	0.120	2	108.9554	1.091	18	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<2>,1|N<4>,2|H<1>}	H(C[6]C[6]O[6]O)	107.2720	0.000	1	108.9554	1.091	18	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]O[6]O)	108.6354	0.602	5	108.9554	1.091	18	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]O)	110.2040	0.000	1	108.9554	1.091	18	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]O)	110.3630	0.000	1	108.9554	1.091	18	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]O)	109.9150	0.000	1	108.9554	1.091	18	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]O)	109.6670	0.614	3	108.9554	1.091	18	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]O)	109.6505	0.080	2	109.4165	0.260	6	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]O)	109.2995	0.613	4	109.4165	0.260	6	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]O)	110.0750	0.000	1	110.0750	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]O)	108.6900	0.000	1	108.6900	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]O)	110.1560	0.279	2	108.7787	1.024	7	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<4>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]O)	108.0585	0.313	2	108.7787	1.024	7	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]O)	108.3407	0.528	3	108.7787	1.024	7	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]O)	110.2390	0.000	1	110.2390	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]O)	109.0808	0.591	5	109.0808	0.349	5	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]O)	108.7710	0.000	1	108.7710	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]O)	106.4940	0.000	1	106.4940	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|I<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	109.6370	0.000	1	109.6370	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	108.5870	0.000	1	109.5087	1.944	20	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|I<1>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]O)	108.5850	0.000	1	109.5087	1.944	20	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]O)	109.4110	0.000	1	109.5087	1.944	20	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	108.5170	4.040	2	109.5087	1.944	20	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	109.6427	1.091	13	109.5087	1.944	20	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	110.6010	0.174	2	109.5087	1.944	20	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	109.4750	0.000	1	110.2493	0.486	3	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	110.6365	0.269	2	110.2493	0.486	3	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	109.1430	0.225	3	109.0575	0.063	4	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	108.8010	0.000	1	109.0575	0.063	4	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OMo)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OMo)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	103.7850	0.000	1	103.7850	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	109.2960	0.035	2	109.2960	0.001	2	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	108.5240	0.000	1	108.5240	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OPd)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OPd)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	107.8010	0.000	1	107.8010	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]O)	109.6250	0.000	1	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	108.0306	4.405	6	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]O[6]O)	110.7204	0.401	5	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	108.2570	0.000	1	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]O)	110.1440	0.474	4	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	109.4660	1.491	2	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]O[6]O)	110.9880	0.000	1	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	108.4550	0.176	3	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	102.0340	0.000	1	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	109.5863	1.025	89	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	H(C[6]C[6]O[6]O)	109.0040	0.000	1	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|S<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	110.9160	0.324	2	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	104.8710	0.000	1	109.4569	2.622	117	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	109.5920	1.719	12	109.5536	2.727	13	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]O)	109.0930	0.000	1	109.5536	2.727	13	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	110.4350	0.000	1	110.4350	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	111.3560	0.000	1	111.3560	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	111.0290	0.000	1	111.0290	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	106.8360	0.000	1	109.1962	0.684	20	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	109.2470	0.000	1	109.1962	0.684	20	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	109.1980	0.000	1	109.1962	0.684	20	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	109.3637	0.784	11	109.1962	0.684	20	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	109.2737	0.432	6	109.1962	0.684	20	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	110.3167	0.171	3	110.3167	0.029	3	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	109.8820	0.714	3	109.0514	1.504	156	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<1>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	109.5626	0.503	11	109.0514	1.504	156	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	108.6355	0.267	4	109.0514	1.504	156	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	108.7360	0.000	1	109.0514	1.504	156	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]O)	108.8310	0.299	4	109.0514	1.504	156	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	109.0118	1.300	133	109.0514	1.504	156	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	110.2930	0.481	4	110.2930	0.231	4	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CC)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]CC)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	107.6500	0.000	1	107.6500	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	112.7395	2.026	2	109.9398	4.072	80	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<1>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	111.0800	0.000	1	109.9398	4.072	80	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	109.6917	1.320	3	109.9398	4.072	80	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	109.8588	2.015	74	109.9398	4.072	80	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	110.4990	0.000	1	109.0094	2.282	45	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	108.8810	0.000	1	109.0094	2.282	45	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]O[6]O)	111.0545	1.009	2	109.0094	2.282	45	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<1>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	110.9230	0.000	1	109.0094	2.282	45	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	108.7869	1.464	39	109.0094	2.282	45	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	110.3220	0.000	1	109.0094	2.282	45	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	111.9190	0.904	4	111.9190	0.817	4	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]O)	109.5460	0.515	2	109.5460	0.265	2	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	110.4950	0.548	3	110.3328	0.225	5	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|S<4>,2|H<1>,4|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	110.0895	0.320	2	110.3328	0.225	5	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	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>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]O)	110.7870	0.000	1	110.7870	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]O)	108.2960	0.000	1	108.2960	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]O)	110.0770	0.000	1	110.0770	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HO)	H(C[6]C[6]O[6]O)	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H){1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HO){1|O<2>,4|H<1>}	H(C[6]C[6]O[6]O)	109.1150	0.000	1	109.1150	0.000	1	109.3643	2.249	584	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2C)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2C)(O[6]C[6,6])(O[6]C[6])(H){2|O<2>,4|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H){2|H<1>,7|C<4>}	H(C[6]C[6]O[6]2)	109.0940	0.000	1	109.0940	0.000	1	109.5381	0.253	7	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H){1|P<3>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H){1|Cr<9>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]O[6]2)	110.0250	0.000	1	109.6122	0.258	6	109.5381	0.253	7	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H){1|S<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H){1|Cr<9>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]O[6]2)	109.5170	0.000	1	109.6122	0.258	6	109.5381	0.253	7	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H){1|Si<4>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H){1|Cr<9>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]O[6]2)	109.4580	0.000	1	109.6122	0.258	6	109.5381	0.253	7	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H){4|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H){1|Cr<9>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]O[6]2)	109.5577	0.733	3	109.6122	0.258	6	109.5381	0.253	7	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])2(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]HH)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])2(H){4|C<4>,7|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]HH){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]2)	109.7400	0.000	1	109.7400	0.000	1	109.6613	0.378	11	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2C)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HO)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2C)(O[6]C[6,6])(O[6]C[6])(H){2|O<2>,4|C<4>,5|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HO){6|C<4>}	H(C[6]C[6]O[6]2)	109.1620	0.000	1	109.1620	0.000	1	109.6613	0.378	11	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H){1|P<3>,4|C<4>,4|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH){1|Cr<9>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]2)	110.0530	0.000	1	109.6278	0.229	6	109.6613	0.378	11	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H){1|S<2>,4|C<4>,4|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH){1|Cr<9>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]2)	109.5460	0.000	1	109.6278	0.229	6	109.6613	0.378	11	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H){1|Si<4>,4|C<4>,4|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH){1|Cr<9>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]2)	109.5320	0.000	1	109.6278	0.229	6	109.6613	0.378	11	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(H){4|C<4>,5|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH){1|Cr<9>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]2)	109.5453	0.680	3	109.6278	0.229	6	109.6613	0.378	11	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(O[6]C[6])2(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2H)(O[6]C[6])2(H){1|O<2>,5|C<4>,5|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]2H){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]O[6]2)	108.7040	0.000	1	108.7040	0.000	1	109.6613	0.378	11	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(O[6]C[6])2(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]CO)	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2H)(O[6]C[6])2(H){1|O<2>,5|C<4>,5|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]CO){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]2)	110.7730	0.000	1	110.7730	0.000	1	109.6613	0.378	11	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(O[6]C[6])2(H)	O[6](C[6]C[6]O[6]H)2	H(C[6]C[6]O[6]2)	C[6](C[6]C[6]2H)(O[6]C[6])2(H){1|O<2>,4|C<4>,6|H<1>}	O[6](C[6]C[6]O[6]H)2{2|H<1>,5|C<4>}	H(C[6]C[6]O[6]2)	110.1280	0.000	1	110.1280	0.000	1	109.6613	0.378	11	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]S)	107.0430	0.000	1	108.7355	5.729	2	108.8943	2.940	3	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[6a])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]S)	110.4280	0.000	1	108.7355	5.729	2	108.8943	2.940	3	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(SC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(SC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]S)	109.2120	0.000	1	109.2120	0.000	1	108.8943	2.940	3	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[5,6]HH)(O[6]C[6])(SC[6a])(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HS){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]S)	107.6170	0.000	1	107.6170	0.000	1	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	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[6](C[6]C[5,6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	109.2170	0.749	3	109.2170	0.561	3	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	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[6](C[6]C[6,6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	106.8970	0.000	1	106.8970	0.000	1	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HH)(O[6]C[6])(SC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HS){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]S)	107.9005	0.985	4	107.9005	0.970	4	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HN)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]S)	107.1730	0.000	1	107.1730	0.000	1	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]S)	107.6840	0.000	1	108.7165	2.132	2	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HN)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]S)	109.7490	0.000	1	108.7165	2.132	2	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	109.2811	1.020	15	109.2811	1.040	15	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	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[6](C[6]C[6a]C[6]H)(C[6]C[6]HS){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	108.2795	1.295	2	108.2795	1.676	2	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	109.5500	0.000	1	109.5500	0.000	1	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	109.4130	1.891	3	109.4130	3.575	3	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	108.9712	1.008	9	108.9712	1.017	9	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H)	O[6](C[6]C[6]HH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6a])(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	109.5160	0.000	1	109.5160	0.000	1	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SPt)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SPt)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	109.8824	0.932	5	109.8824	0.869	5	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SS)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	110.3840	0.111	4	110.3840	0.012	4	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:S-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(SC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(SC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]S)	109.5970	0.000	1	109.5970	0.000	1	109.1083	1.358	53	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:Se-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SeC)(H)	O[6](C[6]C[6]SeH)(C[6]C[6]CH)	H(C[6]C[6]O[6]Se)	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[6](C[6]C[6]SeH)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]Se)	106.7510	0.000	1	106.7510	0.000	1	106.8645	0.026	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:Se-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6])(SeC)(H)	O[6](C[6]C[6]SeH)(C[6]C[6]HH)	H(C[6]C[6]O[6]Se)	C[6](C[6]C[6]HS)(O[6]C[6])(SeC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]SeH)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]O[6]Se)	106.9780	0.000	1	106.9780	0.000	1	106.8645	0.026	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:2:1:	4:4:	4:	P-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](PC[6a]C[6]O)(O[6]C[6])2(H)	O[6](C[6]C[6]HH)(C[6]O[6]HP)	H(C[6]O[6]2P)	C[6](PC[6a]C[6]O)(O[6]C[6])2(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HP){1|C<4>,2|H<1>}	H(C[6]O[6]2P)	108.0515	5.939	2	108.0515	35.272	2	108.0515	35.272	2	109.2112	2.132	870	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[3x6]-4:O[6]-2:C-3:H-1:	N[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(O[6]N[5,6])(CCH)(H)	O[6](N[5,6]C[5,6,6]O[5])(C[6]C[3x6]CH)	H(C[6]C[3x6]O[6]C)	C[6](C[3x6]C[3x6]C[6]2)(O[6]N[5,6])(CCH)(H){1|O<2>,4|C<4>,5|H<1>}	O[6](N[5,6]C[5,6,6]O[5])(C[6]C[3x6]CH){1|H<1>,5|C<4>}	H(C[6]C[3x6]O[6]C)	108.5140	0.064	2	108.5140	0.004	2	108.5140	0.004	2	108.7350	0.820	4	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H){1|C<4>,3|C<3>}	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	107.8930	0.000	1	107.8930	0.000	1	108.9560	2.260	2	108.7350	0.820	4	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	3:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H)	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H){1|C<4>,3|C<3>}	O[6](N[6]C[5,6]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	110.0190	0.000	1	110.0190	0.000	1	108.9560	2.260	2	108.7350	0.820	4	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:2:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H)	O[6](C[6]C[6]CH)(O[6]C[6])	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H){1|C<4>}	O[6](C[6]C[6]CH)(O[6]C[6]){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	107.9120	0.000	1	108.8440	1.737	2	108.8440	1.737	2	108.8440	1.737	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:2:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H)	O[6](C[6]C[6]CH)(O[6]C[6])	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H){1|C<4>}	O[6](C[6]C[6]CH)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.7760	0.000	1	108.8440	1.737	2	108.8440	1.737	2	108.8440	1.737	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[3x6]-4:O[6]-2:C-3:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H)	O[6](C[6]C[3x6]CH)(N[6]C[6]O)	H(C[6]C[3x6]O[6]C)	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[3x6]CH)(N[6]C[6]O){1|H<1>,3|C<4>}	H(C[6]C[3x6]O[6]C)	107.8730	0.632	2	107.8730	0.400	2	107.8730	0.400	2	107.1940	1.583	3	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:3:	4:	C[5,6]-4:O[6]-2:N-3:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H)	O[6](C[6]C[5,6]HN)(N[6]C[6]C)	H(C[6]C[5,6]O[6]N)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[5,6]HN)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]N)	105.8360	0.000	1	105.8360	0.000	1	105.8360	0.000	1	107.1940	1.583	3	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[3,6]-4:O[6]-2:S-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6,6])(SC[3x6]O)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HS)	H(C[6]C[3,6]O[6]S)	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6,6])(SC[3x6]O)(H){2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HS){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[3,6]O[6]S)	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCH)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]C)	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(O[6]C[6,6])(CC[6a]O)(H)	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(O[6]C[6,6])(CC[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]CH){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]O[6]C)	108.2100	0.051	2	108.2100	0.003	2	108.2100	0.003	2	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCC)(H)	O[6](C[6]C[5]C[6]O)(C[6]C[6,6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6]C[5]C[6]O)(C[6]C[6,6]CH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]C)	109.0350	0.000	1	109.0350	0.000	1	108.3790	0.861	2	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,3|H<1>,4|C<4>}	O[6](C[6]C[6,6]CC)(C[6]C[6,6]CH){2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]C)	107.7230	0.000	1	107.7230	0.000	1	108.3790	0.861	2	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	B[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H)	O[6](B[6]N[6,6]CC)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H){1|C<3>,1|N<3>,2|C<4>}	O[6](B[6]N[6,6]CC)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.8900	0.000	1	108.8900	0.000	1	108.8900	0.000	1	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCH)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	110.9080	0.000	1	110.9080	0.000	1	110.9080	0.000	1	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCC)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.8540	0.000	1	108.8540	0.000	1	108.8609	1.161	8	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.7200	0.000	1	109.0395	3.482	2	108.8609	1.161	8	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	110.3590	0.000	1	109.0395	3.482	2	108.8609	1.161	8	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	109.1420	0.000	1	109.1420	0.000	1	108.8609	1.161	8	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]O[6]C)	109.3910	0.000	1	109.3910	0.000	1	108.8609	1.161	8	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(CCC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(O[6]C[6,6])(CCC)(H){1|H<1>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	108.4737	1.374	3	108.4737	1.887	3	108.8609	1.161	8	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(O[6]C[6])(COO)(H)	O[6](C[6]C[3,6]CO)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[3,6]CC)(O[6]C[6])(COO)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[3,6]CO)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]C)	107.8880	0.000	1	107.8880	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCH)(H){2|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.4060	0.000	1	108.4060	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CNO)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){3|C<4>}	H(C[6]C[6]O[6]C)	108.3800	0.372	2	108.3800	0.138	2	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.4060	0.000	1	108.4060	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){2|H<1>,3|C<4>}	O[6](C[6]C[6]CC)(C[6]C[6]CH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	106.1617	0.730	3	106.1617	0.533	3	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.4800	0.000	1	109.4800	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.4910	1.981	2	107.4910	3.926	2	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6a]O)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4720	0.000	1	109.4720	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|H<1>,2|C<4>,2|S<4>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	105.5640	0.000	1	105.5640	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.1895	0.561	2	109.1895	0.314	2	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.9939	1.476	10	108.9115	1.935	12	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	108.4995	1.121	2	108.9115	1.935	12	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	110.0360	0.000	1	110.0360	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CNO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.1700	0.316	3	108.1700	0.100	3	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.4010	0.877	3	108.4010	0.769	3	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]C)	108.9100	0.000	1	108.9100	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	109.5763	0.394	4	109.5763	0.155	4	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H){1|C<3>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.4640	0.000	1	108.4640	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.2900	0.000	1	108.2900	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	110.1030	0.000	1	110.1030	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.1560	0.000	1	108.1560	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CNO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.5310	0.826	2	109.5310	0.682	2	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]FH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]FH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.7640	0.000	1	109.7640	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HI)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HI){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.5550	0.000	2	108.5550	0.000	2	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	110.3680	1.838	2	110.3680	3.380	2	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	110.1311	1.589	9	110.1311	2.526	9	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]SeH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]SeH)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.1130	0.000	1	109.1130	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(COO)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(COO)(H){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	109.6515	0.336	2	109.6515	0.113	2	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CNO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6]CH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]C)	108.5170	0.000	1	108.5170	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]C)	111.6900	0.000	1	111.6900	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CNO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]CH)(O[6]C[6])(CNO)(H){1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	106.1040	0.000	1	106.1040	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(COO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]CH)(O[6]C[6])(COO)(H){1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	106.8120	0.000	1	106.8120	0.000	1	108.8807	2.197	66	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	O[6](C[6]C[6]CH)(P[6]O[6]BO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(P[6]O[6]BO){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.0565	2.593	4	107.0565	6.724	4	107.5133	5.524	6	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	O[6](C[6]C[6]CH)(P[6]O[6]OO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	O[6](C[6]C[6]CH)(P[6]O[6]OO){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4270	2.223	2	108.4270	4.942	2	107.5133	5.524	6	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6,6])(C[6]C[6]H)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6]C[6]H)(O[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2O[6])	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]N)	109.0990	0.000	1	109.0990	0.000	1	107.9639	1.609	13	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]N)	107.2520	0.000	1	107.2520	0.000	1	107.9639	1.609	13	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,1|O<3>,2|O<2>,3|H<1>}	H(C[6]C[6]O[6]N)	106.6300	0.000	1	107.9255	1.750	11	107.9639	1.609	13	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,1|O<3>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]N)	107.9822	1.377	9	107.9255	1.750	11	107.9639	1.609	13	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCuC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]N)	108.7100	0.000	1	107.9255	1.750	11	107.9639	1.609	13	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]N)	108.3190	1.332	4	108.3190	1.773	4	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]N)	107.9920	0.000	1	107.9920	0.000	1	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]N)	107.9985	0.428	4	107.9985	0.183	4	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]N)	109.0310	0.000	1	109.0310	0.000	1	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	O[6](C[6]C[6]HN)(C[6]O[6]CH)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HN)(C[6]O[6]CH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	108.7090	0.111	5	108.7090	0.012	5	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]N)	109.2460	0.000	1	109.2460	0.000	1	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]N)	108.4450	0.000	1	108.4450	0.000	1	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	112.3300	0.000	1	112.3300	0.000	1	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	109.4544	1.097	9	109.4544	1.204	9	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	109.6073	0.583	3	109.6073	0.339	3	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	109.2543	0.089	3	109.2543	0.008	3	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	109.1917	0.376	3	109.1917	0.141	3	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	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[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	108.6950	1.345	3	108.6950	1.809	3	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NCuC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NCuC)(H){1|C<4>,1|O<3>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	107.1785	0.255	4	107.1785	0.065	4	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	109.4880	0.000	1	109.4880	0.000	1	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	118.5210	0.000	1	118.5210	0.000	1	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]N)	109.3590	0.000	1	109.3590	0.000	1	109.0712	3.260	46	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:S-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]S)	109.8215	0.047	2	109.8215	0.002	2	110.4170	0.575	4	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:S-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[3x6]O)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]S)	111.0125	0.551	2	111.0125	0.303	2	110.4170	0.575	4	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	C[6]-4:O[6]-2:S-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SNiPt)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6])(SNiPt)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	H(C[6]C[6]O[6]S)	108.3635	0.433	2	108.3635	0.188	2	108.3635	0.188	2	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:3:1:	4:4:	4:	P[6]-4:O[6]-2:C-3:H-1:	B[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H)	O[6](B[6]C[6a]2C[6])(C[6]P[6]CH)	H(C[6]O[6]P[6]C)	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H){1|C<4>,2|H<1>,6|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]P[6]CH){1|C<4>,2|H<1>,6|C<3>}	H(C[6]O[6]P[6]C)	103.7540	0.000	1	103.7540	0.000	1	103.7540	0.000	1	108.8076	2.757	155	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	N[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H)	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CH){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	110.3590	0.284	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	3:4:	4:	C[6]-4:O[6]-2:P-4:H-1:	N[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]HP)	H(C[6]C[6]O[6]P)	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[6](N[6]C[6a]C[6])(C[6]C[6]HP){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]P)	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	110.3590	0.284	2	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:2:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H)	O[6](C[6]C[6]CH)(O[6]C[6])	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H){3|C<4>}	O[6](C[6]C[6]CH)(O[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	109.0210	0.000	1	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H)	O[6](C[6]C[5,6]CH)(N[6]C[6]C)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[5,6]CH)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]C)	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	108.2540	1.276	4	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H)	O[6](C[6]C[6,6]CH)(N[6]C[6]C)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]CH)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6,6]O[6]C)	107.4410	0.000	1	107.4410	0.000	1	107.4410	0.000	1	108.2540	1.276	4	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H)	O[6](C[6]C[6]CH)(N[6]C[6]C)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H){1|C<3>,1|C<4>}	O[6](C[6]C[6]CH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	109.7140	0.000	1	109.7140	0.000	1	109.7140	0.000	1	108.2540	1.276	4	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:3:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H)	O[6](C[6]C[6]CH)(S[6]O[6]O)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H){1|O<1>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(S[6]O[6]O){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	108.2540	1.276	4	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[3,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(O[6]C[6])(CH3)(H)	O[6](C[6]C[3,6]CH)(C[6]C[6]HO)	H(C[6]C[3,6]O[6]C)	C[6](C[3,6]C[3,6]O[3]C)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[3,6]CH)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[3,6]O[6]C)	108.9590	0.064	2	108.9590	0.004	2	108.9590	0.004	2	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[3x6]CH)(C[6]C[6,6]HH)	H(C[6]C[3x6]O[6]C)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|N<3>,4|H<1>}	O[6](C[6]C[3x6]CH)(C[6]C[6,6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]O[6]C)	107.6040	0.000	1	107.2810	0.209	2	107.2600	0.106	3	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[3x6]CH)(C[6]C[6,6]HH)	H(C[6]C[3x6]O[6]C)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|N<3>,4|H<1>}	O[6](C[6]C[3x6]CH)(C[6]C[6,6]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3x6]O[6]C)	106.9580	0.000	1	107.2810	0.209	2	107.2600	0.106	3	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[3x6]C)(O[6]C[6])(CCHI)(H)	O[6](C[6]C[3x6]CH)(C[6]O[6]CC)	H(C[6]C[3x6]O[6]C)	C[6](C[3x6]C[4,6,6]C[3x6]C)(O[6]C[6])(CCHI)(H){1|O<2>,2|H<1>,5|C<4>}	O[6](C[6]C[3x6]CH)(C[6]O[6]CC){3|C<4>}	H(C[6]C[3x6]O[6]C)	107.2180	0.000	1	107.2180	0.000	1	107.2600	0.106	3	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,5,6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[3,5,6]C[5,6,6]O[5,5])(O[6]C[6])(CHHN)(H)	O[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)	H(C[6]C[5,5,6,6]O[6]C)	C[6](C[5,5,6,6]C[3,5,6]C[5,6,6]O[5,5])(O[6]C[6])(CHHN)(H){1|O<2>,4|C<4>,4|H<1>}	O[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6,6]O[6]C)	109.2390	0.648	2	109.2390	0.420	2	109.2390	0.420	2	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H)	O[6](C[6]C[5,6,6]CH)(C[6]O[6]CC)	H(C[6]C[5,6,6]O[6]C)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	O[6](C[6]C[5,6,6]CH)(C[6]O[6]CC){3|C<4>}	H(C[6]C[5,6,6]O[6]C)	107.5900	0.000	1	107.5900	0.000	1	107.5900	0.000	1	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]C)	107.8515	1.322	2	107.8515	1.747	2	109.0220	0.612	26	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHI)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHI)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]C)	109.6770	0.000	1	109.6770	0.000	1	109.0220	0.612	26	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]C)	108.6385	1.561	4	108.6385	2.438	4	109.0220	0.612	26	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]C)	108.5650	0.000	1	109.2099	0.105	16	109.0220	0.612	26	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]C)	109.2529	0.284	15	109.2099	0.105	16	109.0220	0.612	26	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]C)	109.0060	0.537	2	109.0060	0.289	2	109.0220	0.612	26	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CPtHH)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CPtHH)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]C)	109.2670	0.000	1	109.2670	0.000	1	109.0220	0.612	26	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H){2|O<2>,4|C<4>}	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]O[6]C)	107.6540	2.698	3	107.6540	7.277	3	107.2185	3.821	6	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CCHH)(H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]O[6]C)	105.3630	0.000	1	105.3630	0.000	1	107.2185	3.821	6	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6]O[6]C)	107.4930	0.624	2	107.4930	0.389	2	107.2185	3.821	6	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[3,6]HO)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[6](C[6]C[3,6]HO)(C[6]C[5,6]CH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]O[6]C)	107.3865	0.377	2	107.3865	0.142	2	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]C)	107.6896	1.052	5	107.6896	1.107	5	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	O[6](C[6]C[5,6]CH)(C[6]N[6]CC)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]CH)(C[6]N[6]CC){4|C<4>}	H(C[6]C[5,6]O[6]C)	107.1900	0.000	1	107.1900	0.000	1	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[5,6]CH){2|C<3>,4|C<4>}	H(C[6]C[5,6]O[6]C)	107.2250	0.344	3	107.2250	0.119	3	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6]CH)(C[6]O[6]CC)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[5,6]CH)(C[6]O[6]CC){1|N<3>,2|C<4>}	H(C[6]C[5,6]O[6]C)	108.9620	0.000	1	108.9620	0.000	1	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]CS)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	O[6](C[6]C[5,6]CH)(C[6]C[6]CS){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]O[6]C)	109.9690	0.000	1	109.9690	0.000	1	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6]C[5,6]CH)(C[6]C[6]CH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]C)	106.7340	0.000	1	106.7340	0.000	1	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]CO)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6]C[5,6]CH)(C[6]C[6]CO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]C)	108.8890	0.000	1	108.8890	0.000	1	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]O[6]C)	107.8240	0.000	1	107.8240	0.000	1	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]C)	108.7750	0.000	1	108.7589	0.671	8	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]C)	108.7566	0.885	7	108.7589	0.671	8	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HS)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HS){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]C)	108.8960	0.000	1	108.8960	0.000	1	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]CH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]C)	107.6060	0.000	1	107.6060	0.000	1	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|P<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]C)	108.6200	0.000	1	108.3247	0.077	3	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]C)	108.1770	0.154	2	108.3247	0.077	3	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HS)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]C)	108.9593	0.618	3	108.9593	0.382	3	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]CH)(C[6]O[6]CC)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[5,6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]O[6]C)	108.4650	0.000	1	108.7380	0.149	2	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]CH)(C[6]O[6]CC)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[5,6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]O[6]C)	109.0110	0.000	1	108.7380	0.149	2	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CCHH)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]C)	108.0460	0.000	1	108.0460	0.000	1	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]C)	108.1180	0.000	1	107.5815	0.576	2	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H){1|O<2>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5,6]O[6]C)	107.0450	0.000	1	107.5815	0.576	2	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5,6]O[5]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]N[5,5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|N<3>,3|C<4>}	O[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]CH){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]C)	107.6415	0.697	2	107.6415	0.485	2	108.1758	0.834	39	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]CH){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]O[6]C)	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(CH3)(H){1|H<1>,3|C<3>,3|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]CH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]O[6]C)	109.5960	0.000	1	109.5960	0.000	1	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]O[6,6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[5,6]O[6,6]H)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]CH){1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6,6]O[6]C)	107.2970	0.000	1	107.2970	0.000	1	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]C)	105.8120	0.000	1	105.8120	0.000	1	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HO)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){2|O<2>,3|C<4>,3|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HO){2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]C)	108.2810	0.000	1	108.2810	0.000	1	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	O[6](C[6]C[6,6]CH)(C[6]O[6]CC)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	O[6](C[6]C[6,6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6]C)	108.1760	0.177	2	108.1760	0.031	2	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6,6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]O[6]C)	108.4450	0.000	1	108.4450	0.000	1	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]CH)(C[6]O[6]CC)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	O[6](C[6]C[6,6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6]C)	109.3455	0.086	2	109.3455	0.007	2	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]C)	109.0610	0.219	2	109.0610	0.048	2	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]CH)	H(C[6]C[6,6]O[6]C)	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[6](C[6]C[6,6]CH)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]O[6]C)	105.5645	0.040	2	105.5645	0.002	2	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HO)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6,6]O[6]C)	109.7315	0.115	2	109.7222	0.029	5	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HO)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]C)	109.7160	0.228	3	109.7222	0.029	5	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HS)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]O[6]C)	109.1580	0.000	1	109.1580	0.000	1	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HH)	H(C[6]C[6,6]O[6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]O[6]C)	109.5340	0.000	1	109.5340	0.000	1	108.5514	2.029	20	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	B[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H)	O[6](B[6]C[5,6]CC)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H){2|C<3>,2|C<4>}	O[6](B[6]C[5,6]CC)(C[6]C[6]CH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.8010	0.000	1	107.8010	0.000	1	107.8010	0.000	1	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(O[6]C[3x6])(CCHH)(H)	O[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]CC)(O[6]C[3x6])(CCHH)(H){1|C<3>,1|O<2>,3|C<4>}	O[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH){2|H<1>,3|C<3>,5|C<4>}	H(C[6]C[6]O[6]C)	108.7180	0.000	1	108.7180	0.000	1	109.0263	0.079	3	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]CH){2|H<1>,3|C<3>,5|C<4>}	H(C[6]C[6]O[6]C)	109.0900	0.000	1	109.1805	0.016	2	109.0263	0.079	3	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]CH){2|C<3>,3|H<1>,6|C<4>}	H(C[6]C[6]O[6]C)	109.2710	0.000	1	109.1805	0.016	2	109.0263	0.079	3	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H)	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	103.5585	0.928	2	103.5585	0.862	2	103.5585	0.862	2	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(O[6]C[5,6])(CH3)(H)	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]CC)(O[6]C[5,6])(CH3)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>}	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH){1|C<3>,1|H<1>,2|C<2>,2|C<4>}	H(C[6]C[6]O[6]C)	110.0470	0.000	1	110.0470	0.000	1	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]CH){3|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.9360	0.000	1	107.9360	0.000	1	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H)	O[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H){1|C<4>,3|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	106.5430	0.000	1	106.5430	0.000	1	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6]O[6]C)	108.5680	0.000	2	108.5680	0.000	2	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.2000	0.000	1	109.1745	0.001	2	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){3|C<4>,6|H<1>}	H(C[6]C[6]O[6]C)	109.1490	0.000	1	109.1745	0.001	2	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	O[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	O[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.0790	0.000	1	109.0790	0.000	1	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.7190	0.000	1	108.7755	0.006	2	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.8320	0.000	1	108.7755	0.006	2	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CC[6]HH)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CC[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){4|H<1>,5|C<4>}	H(C[6]C[6]O[6]C)	109.9475	0.226	2	109.9475	0.051	2	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.2320	0.000	1	108.1260	2.446	2	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){2|H<1>,3|C<4>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH){4|C<4>,7|H<1>}	H(C[6]C[6]O[6]C)	107.0200	0.000	1	108.1260	2.446	2	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]O[6]C)	109.0650	0.000	1	108.6306	1.068	7	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|H<1>,1|N<2>,3|C<4>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	106.4570	0.000	1	108.6306	1.068	7	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]O[6]C)	109.7450	0.000	1	108.6306	1.068	7	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|N<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]O[6]C)	108.8970	0.000	1	108.6306	1.068	7	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6]O[6]C)	108.7500	0.261	3	108.6306	1.068	7	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<1>,1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	109.4560	0.000	1	109.4560	0.000	1	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){3|C<4>,6|H<1>}	H(C[6]C[6]O[6]C)	109.5770	0.000	1	109.5770	0.000	1	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H){2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	108.6160	0.000	1	108.6160	0.000	1	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.6320	0.000	1	108.6320	0.000	1	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6]O[6]C)	106.5840	0.006	2	106.5840	0.000	2	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	111.6140	0.000	1	111.6140	0.000	1	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	106.8860	0.000	1	106.8860	0.000	1	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4970	0.000	1	108.3907	2.398	3	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	107.8375	1.720	2	108.3907	2.398	3	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	O[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.1330	0.000	1	108.1330	0.000	1	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[5,6])(CH3)(H)	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	109.2700	0.000	1	109.2700	0.000	1	108.6390	1.458	34	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.6900	0.000	1	109.6900	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H){2|O<2>,3|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]O[6]C)	109.7140	0.043	6	109.7140	0.002	6	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]O[6]C)	108.8750	0.000	1	108.8750	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(H){2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6]O[6]C)	109.0310	0.000	1	109.0310	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|S<2>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){3|C<4>,6|H<1>}	H(C[6]C[6]O[6]C)	109.7940	0.704	3	109.7940	0.496	3	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.9520	0.000	1	109.1390	0.070	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.3260	0.000	1	109.1390	0.070	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	108.3790	0.228	3	108.3790	0.052	3	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.7960	0.000	1	107.7960	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.2520	0.000	1	108.2520	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]C)	101.4240	0.000	1	101.4240	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]O[6]C)	108.0820	0.612	2	108.0820	0.375	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.3133	0.467	3	109.3133	0.218	3	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]O[6]C)	109.1590	0.000	1	109.1590	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6]3)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	O[6](C[6,6]C[6]3)(C[6]C[6]CH){5|H<1>,6|C<4>}	H(C[6]C[6]O[6]C)	109.4580	0.000	1	109.4580	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC3)(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	110.7490	0.000	1	110.7490	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.1840	0.240	2	107.8717	0.273	9	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){4|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	107.7824	0.559	7	107.8717	0.273	9	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	O[6](C[6,6]C[6]3)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){2|H<1>,3|C<4>}	O[6](C[6,6]C[6]3)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]O[6]C)	108.3625	0.343	2	108.3625	0.118	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	109.4320	0.134	2	109.4320	0.018	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	109.5040	0.426	2	109.5040	0.181	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	110.2160	2.247	2	110.2160	5.050	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H)	O[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	O[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.7710	0.000	1	108.7710	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){4|C<4>,5|H<1>}	H(C[6]C[6]O[6]C)	109.0370	0.000	1	109.0370	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>}	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	105.6780	0.000	1	105.6780	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]O[6]C)	109.0550	0.000	1	109.0550	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH){3|C<4>,5|H<1>}	H(C[6]C[6]O[6]C)	109.0710	0.000	1	109.0710	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.9025	0.125	2	108.9025	0.016	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6]2N[6])(C[6]C[6]CH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]O[6]C)	110.5570	0.000	1	110.5570	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.2520	0.000	1	109.0927	0.026	3	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.0130	0.117	2	109.0927	0.026	3	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	107.0970	0.000	1	107.0970	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.7790	0.000	1	109.2670	0.154	5	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){3|C<4>,6|H<1>}	H(C[6]C[6]O[6]C)	109.3890	0.326	4	109.2670	0.154	5	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	108.4715	0.090	2	108.6595	0.202	4	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	109.3250	0.000	1	108.6595	0.202	4	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	108.3700	0.000	1	108.6595	0.202	4	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHO)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.6140	0.000	1	108.6140	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	108.8780	0.000	1	108.8780	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[6]O[6]C)	108.9360	0.147	2	108.9360	0.022	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	104.2990	0.000	1	104.2990	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]2H)(C[6]C[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6]O[6]C)	109.1305	0.623	2	109.1305	0.388	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	108.6800	0.000	1	108.5620	0.028	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	108.4440	0.000	1	108.5620	0.028	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	108.8870	0.000	1	108.8780	0.000	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	108.8690	0.000	1	108.8780	0.000	2	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	108.6420	0.000	1	108.6497	0.154	4	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.6523	0.480	3	108.6497	0.154	4	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.3880	0.000	1	109.3880	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.2120	0.000	1	108.8130	1.841	7	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.9560	0.000	1	108.8130	1.841	7	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.9046	1.335	5	108.8130	1.841	7	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.2955	0.749	2	108.3427	0.287	3	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]O[6]C)	108.4370	0.000	1	108.3427	0.287	3	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	O[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.2150	0.000	1	109.2150	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(H)	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.1040	0.000	1	109.1040	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H)	O[6](C[6,6]C[6]3)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H){1|S<4>,3|C<4>}	O[6](C[6,6]C[6]3)(C[6]C[6]CH){1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]O[6]C)	109.1280	0.000	1	109.1280	0.000	1	108.7555	1.575	95	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	106.7763	0.235	3	106.7763	0.055	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[4,6]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[4,6]HH)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	110.6570	0.000	2	110.6570	0.000	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H){2|H<1>,3|C<4>}	O[6](C[6]C[5,6]CH)(C[6]C[6]CH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	105.9330	0.000	1	105.9330	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]CH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	110.1010	0.000	1	110.1010	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H)	O[6](C[6]C[5,6]N[5a]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[5,6]N[5a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.3530	0.000	1	108.3530	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5,6]HO)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.8340	0.600	4	109.8340	0.360	4	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5,6]HO)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	110.5090	0.000	1	110.5090	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5,6]HS)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[5,6]HS)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4440	0.000	1	109.4440	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]C)	109.1410	1.751	2	109.1410	3.065	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H){2|C<3>,2|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]C)	108.2585	0.370	2	108.2585	0.137	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.6035	0.070	2	107.6035	0.005	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CC3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.4890	0.000	1	108.4890	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4865	0.357	2	109.4865	0.128	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.5620	2.387	2	107.5620	5.699	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]CH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.2950	0.000	1	108.2950	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6,6]HO)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.0455	0.271	2	109.0455	0.073	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6,6]HS)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6,6]HS)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.5020	0.000	1	109.5020	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCHH)(H){2|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.0463	1.065	3	108.0463	1.135	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CSeHH)(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CSeHH)(H){2|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	109.6700	0.000	1	109.6700	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.1218	0.282	5	108.1218	0.080	5	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.5890	0.000	1	109.5890	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1477	0.277	3	109.1477	0.077	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.6120	0.000	1	108.6120	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.8330	0.000	1	108.8330	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){3|C<4>}	H(C[6]C[6]O[6]C)	107.4750	0.000	1	107.4750	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){3|C<4>}	H(C[6]C[6]O[6]C)	108.2480	0.000	1	108.2480	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){3|C<4>}	H(C[6]C[6]O[6]C)	108.3810	0.000	1	108.3810	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH){2|C<3>,4|C<4>}	H(C[6]C[6]O[6]C)	108.0180	0.000	1	108.0180	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6]O[6]C)	106.5500	0.000	1	106.5500	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.9120	0.000	1	107.9120	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[3x6]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[3x6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.6750	0.000	1	107.6750	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.9093	0.885	3	108.9093	0.783	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.2373	0.428	6	108.2373	0.184	6	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	107.8628	0.122	4	107.8628	0.015	4	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H)	O[6](C[6]C[6]CH)(C[6]N[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]N[6]CH){2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.5660	0.000	1	107.5660	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[5]C[6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[5]C[6]O)(C[6]C[6]CH){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]O[6]C)	109.0750	0.000	1	109.0750	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]2H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]2H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.4503	0.116	3	108.4503	0.013	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.9050	0.000	1	108.9085	0.000	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.9120	0.000	1	108.9085	0.000	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.1865	0.480	2	108.1865	0.231	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	106.4610	0.000	1	107.5157	1.633	4	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.5940	0.498	2	107.5157	1.633	4	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	106.4140	0.000	1	107.5157	1.633	4	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.3190	0.000	1	108.3190	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9980	0.000	1	108.9980	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	H(C[6]C[6]O[6]C)	108.1400	0.000	1	108.1400	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]O[6]C)	107.9420	0.136	3	107.9420	0.018	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.9190	0.000	1	108.9190	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	108.1780	0.000	1	108.1780	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]O[6]C)	107.5690	0.000	1	107.5690	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.7580	0.000	1	106.7580	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]O[6]C)	106.5400	0.000	1	106.5400	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4600	0.000	1	108.4600	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5102	0.367	6	108.5102	0.135	6	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]O[6]C)	109.6457	0.566	7	109.6659	0.242	9	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,4|F<1>}	H(C[6]C[6]O[6]C)	109.7890	0.000	1	109.6659	0.242	9	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]O[6]C)	109.6840	0.000	1	109.6659	0.242	9	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9960	0.000	1	109.1252	0.185	6	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]O[6]C)	109.3577	0.130	4	109.1252	0.185	6	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3240	0.000	1	109.1252	0.185	6	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CBrCH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.3415	0.238	2	109.3415	0.057	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	O[6](C[6]B[5,5]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H){1|B<4>,1|C<4>,3|H<1>}	O[6](C[6]B[5,5]C[6]H)(C[6]C[6]CH){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	109.4440	0.000	1	109.4440	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	107.3015	0.954	2	107.0101	1.131	7	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	106.8936	1.188	5	107.0101	1.131	7	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.8110	0.000	1	108.8110	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]C)	105.9540	0.000	1	105.9540	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]O[6]C)	106.9330	0.000	1	106.9330	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[5]C[6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[5]C[6]O)(C[6]C[6]CH){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]O[6]C)	109.4730	0.000	2	109.4730	0.000	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]2H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|Br<1>,2|C<4>,2|H<1>}	O[6](C[6]C[6]2H)(C[6]C[6]CH){1|Br<1>,3|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.1670	0.000	1	108.1670	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|H<1>,3|C<4>}	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.6190	0.000	1	108.6190	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.3190	0.006	2	109.3190	0.000	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.6850	0.543	2	108.7268	0.347	6	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|N<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.0570	0.000	1	108.7268	0.347	6	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.9780	0.632	3	108.7268	0.347	6	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.7398	0.247	4	109.7398	0.061	4	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1800	0.000	1	109.1800	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)2{1|C<3>,4|H<1>}	H(C[6]C[6]O[6]C)	108.7625	0.120	2	109.0360	0.144	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.7340	0.000	1	109.0360	0.144	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	109.0970	0.000	1	109.0360	0.144	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	109.2420	0.225	2	109.0360	0.144	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.6790	0.000	1	109.0360	0.144	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.8248	0.227	6	109.0360	0.144	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.0940	0.000	1	109.0940	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9257	0.230	3	108.9257	0.053	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9710	0.000	1	108.9710	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.3660	0.134	2	108.3660	0.018	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.8745	0.088	2	108.1596	0.943	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	106.7150	0.000	1	108.1596	0.943	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.4454	0.842	8	108.1596	0.943	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.0240	0.069	2	108.1596	0.943	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	109.8097	0.633	4	109.8097	0.401	4	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	109.1510	0.000	1	108.9675	0.067	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	108.7840	0.000	1	108.9675	0.067	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCo2C)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9220	0.000	1	108.9220	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.6797	0.688	4	108.6797	0.473	4	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[5a]C[6]O)(C[6]C[6]CH){1|N<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	109.4975	0.185	2	109.4975	0.034	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	109.3490	0.000	1	108.0700	3.272	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	106.7910	0.000	1	108.0700	3.272	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	109.1153	0.246	4	110.2969	4.377	7	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	111.8723	2.554	3	110.2969	4.377	7	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.7804	0.245	5	108.7804	0.060	5	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	109.1085	0.132	2	108.9898	0.073	11	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.9634	0.292	9	108.9898	0.073	11	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.1715	1.268	2	109.0387	3.060	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<3>,2|H<1>}	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]C)	110.7730	0.000	1	109.0387	3.060	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6a]2O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	109.1603	0.216	11	109.1603	0.047	11	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.6290	0.000	1	108.6290	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.3323	0.258	3	109.3323	0.067	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	108.7795	0.861	13	108.8276	0.810	16	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Mn<8>,2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	109.0360	1.245	3	108.8276	0.810	16	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.0740	0.403	2	108.0740	0.162	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.6920	0.000	1	107.6920	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	106.5425	0.322	2	106.5425	0.104	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.0060	0.000	1	108.0060	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H){1|O<2>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]HH){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.1900	0.000	1	108.1900	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|I<1>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]C)	107.9050	0.000	1	107.9050	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	107.6730	0.000	1	107.6730	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H){1|C<3>,1|O<2>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]O[6]C)	108.0430	0.000	1	108.0430	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.6730	0.000	1	109.6730	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CN)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]CN){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5430	0.000	1	108.5470	0.000	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CN)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	O[6](C[6]C[6]CH)(C[6]C[6]CN){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5510	0.000	1	108.5470	0.000	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.4580	0.000	1	108.4580	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]C)	109.3230	0.000	1	109.3230	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|N<3>,1|P<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.7450	0.000	1	109.7450	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<2>,1|N<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.0810	0.000	1	108.9772	0.487	14	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]O[6]C)	108.8304	0.629	5	108.9772	0.487	14	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.2470	0.000	1	108.9772	0.487	14	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.3144	0.175	7	108.9772	0.487	14	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	110.6360	0.000	1	109.0740	4.880	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	107.5120	0.000	1	109.0740	4.880	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.2100	0.000	1	108.9150	0.994	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.6200	0.000	1	108.9150	0.994	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.1470	0.000	1	109.1470	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	106.6570	0.000	1	106.6570	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3250	0.006	2	108.3250	0.000	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	106.0630	0.000	1	106.0630	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.3690	0.000	1	109.3690	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	106.3590	0.000	1	106.3590	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	108.3000	0.543	2	108.3000	0.295	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	108.9390	0.089	2	108.6115	1.366	12	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.6845	1.477	6	108.6115	1.366	12	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4190	0.000	1	108.6115	1.366	12	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	107.3995	0.016	2	108.6115	1.366	12	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.1350	0.000	1	108.6115	1.366	12	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.5870	0.000	1	108.5870	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CN)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]CN){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1000	0.000	1	109.1000	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	109.2050	0.000	1	109.2050	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	106.3350	0.000	1	106.3350	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	108.4870	0.000	1	108.8320	0.238	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,3|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	109.1770	0.000	1	108.8320	0.238	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H)	O[6](C[6]C[6]CH)(C[6]N[6]CC)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]N[6]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]C)	105.3200	0.000	1	105.3200	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	108.9060	0.239	2	108.9060	0.057	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	107.7580	0.000	1	107.7580	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.7000	0.000	1	108.7000	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.6600	0.158	2	109.0117	0.384	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.7150	0.000	1	109.0117	0.384	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.9540	0.000	1	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.2010	0.000	1	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	108.2480	2.428	2	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.0810	0.000	1	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	108.6120	0.342	2	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3720	0.093	2	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0200	0.000	1	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.7450	0.020	2	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	109.0307	0.267	3	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.0975	0.354	38	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.5240	0.376	2	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	109.1950	0.000	1	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	109.3590	0.345	3	109.0903	0.282	59	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.1162	0.497	4	109.1162	0.247	4	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.3580	0.000	1	108.6405	0.160	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	108.9230	0.000	1	108.6405	0.160	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.6650	0.385	3	109.6650	0.148	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.6780	0.016	2	108.9110	0.163	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.3770	0.000	1	108.9110	0.163	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.8785	0.032	2	109.1593	0.237	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.7210	0.000	1	109.1593	0.237	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	O[6](C[6]N[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	O[6](C[6]N[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.4113	0.382	3	109.4113	0.146	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.7110	0.000	1	109.5975	0.026	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.4840	0.000	1	109.5975	0.026	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.6124	0.478	7	108.6124	0.229	7	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]O[6]C)	106.8030	0.361	2	106.8030	0.130	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){2|C<3>,2|H<1>}	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.8320	0.000	1	108.8320	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.7120	0.475	2	109.7120	0.226	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]FH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]FH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.2840	0.000	1	109.2840	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,1|P<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.7350	0.000	1	108.4504	0.421	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.2275	0.531	2	108.4504	0.421	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	108.4665	0.714	10	108.4504	0.421	13	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4400	0.000	1	108.9891	1.007	37	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.1812	0.955	9	108.9891	1.007	37	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.9605	0.142	2	108.9891	1.007	37	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.2827	1.034	17	108.9891	1.007	37	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HN){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.2246	0.849	8	108.9891	1.007	37	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0980	0.000	1	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]O[6]C)	109.3500	0.000	1	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.2820	0.000	1	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]O[6]C)	109.2675	0.629	2	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	110.2150	0.000	1	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.7190	0.000	1	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.2286	0.825	13	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.7360	0.000	1	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5640	0.000	1	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.5640	0.354	2	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4685	0.128	2	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.4390	1.413	2	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.2395	0.496	2	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|I<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0480	0.000	1	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.6400	0.828	3	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.4738	0.987	22	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.8817	0.588	4	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.3830	1.148	2	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	109.0020	0.000	1	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.1347	0.992	291	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	109.0450	0.000	1	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	109.8317	1.936	3	109.1629	0.944	358	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.3770	0.453	2	109.4465	1.085	43	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0650	0.000	1	109.4465	1.085	43	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	109.1437	0.462	3	109.4465	1.085	43	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.5215	1.135	33	109.4465	1.085	43	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4220	0.520	2	109.4465	1.085	43	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.9480	0.430	2	109.4465	1.085	43	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.2970	0.000	1	108.5520	1.560	15	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	110.3500	0.000	2	108.5520	1.560	15	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]C)	108.2990	0.000	1	108.5520	1.560	15	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	105.8410	0.000	1	108.5520	1.560	15	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.5143	0.936	10	108.5520	1.560	15	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]IrH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]IrH)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	107.8545	1.273	2	107.8545	1.622	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.1067	0.593	6	109.0569	0.310	7	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]N[5]H)(C[6]C[6]CH){2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]O[6]C)	108.7580	0.000	1	109.0569	0.310	7	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]PdH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]PdH)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.7585	0.117	2	109.7585	0.014	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]C)	106.4370	0.000	1	108.6637	3.761	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.9820	0.000	1	108.6637	3.761	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]C)	109.5720	0.000	1	108.6637	3.761	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]C)	108.8420	0.000	1	108.8420	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.6820	0.000	1	108.8742	0.420	14	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.8685	0.664	10	108.8742	0.420	14	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6]O[6]C)	108.3160	0.296	2	108.8742	0.420	14	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	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[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.2400	0.000	1	108.8742	0.420	14	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.4487	0.787	3	109.4487	0.619	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.1473	0.865	3	109.1473	0.749	3	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.8245	0.610	2	109.8245	0.372	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.8530	0.000	1	109.8530	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]O[6]C)	107.9610	0.000	1	107.5155	0.397	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.0700	0.000	1	107.5155	0.397	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H){1|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	106.2950	0.000	1	106.2950	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6]CH)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.0065	0.555	2	109.0065	0.308	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H){1|H<1>,2|O<2>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]C)	108.2730	0.000	1	108.2730	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	109.0020	0.000	1	109.0020	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(CCHH)(H){2|H<1>,4|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,3|C<3>}	H(C[6]C[6]O[6]C)	108.8970	0.000	1	108.8970	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.7570	0.000	1	108.7570	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H){2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]CH){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]O[6]C)	109.2110	0.000	1	109.2110	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]CH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	105.8340	0.000	1	105.8340	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){4|C<4>}	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|N<3>,4|H<1>}	H(C[6]C[6]O[6]C)	108.8875	0.301	2	108.8875	0.090	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,4|H<1>}	H(C[6]C[6]O[6]C)	109.3890	0.000	1	108.3110	2.324	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	107.2330	0.000	1	108.3110	2.324	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,3|C<4>}	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|N<3>,4|H<1>}	H(C[6]C[6]O[6]C)	109.7170	0.000	1	109.7170	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,4|H<1>}	H(C[6]C[6]O[6]C)	108.3650	0.000	1	108.3650	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|S<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.4917	0.125	3	109.3165	0.133	4	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,3|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	108.7910	0.000	1	109.3165	0.133	4	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|Al<5>,1|H<1>,3|C<4>}	O[6](C[6]C[6]CH)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.4730	0.434	4	109.1131	0.679	7	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6]CH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]C)	107.3970	0.000	1	109.1131	0.679	7	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6]CH)2	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,3|C<4>}	O[6](C[6]C[6]CH)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]C)	109.2515	0.077	2	109.1131	0.679	7	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	O[6](C[6]C[6a]C[6]O)(C[6]C[6]CH){1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]C)	109.3505	2.374	2	109.3505	5.635	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|C<4>,1|S<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]C)	111.2350	0.000	1	111.2350	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|N<3>,4|H<1>}	H(C[6]C[6]O[6]C)	109.3790	0.000	1	109.3790	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	O[6](C[6]N[6a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	O[6](C[6]N[6a]C[6]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]C)	109.2890	0.000	1	109.2890	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6,6]HH)(O[6]C[6])(CH3)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6,6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]CH){1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]O[6]C)	109.6950	0.000	1	109.6950	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H){3|C<4>}	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]C)	109.5600	0.205	2	109.5600	0.042	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]CH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	114.4450	0.000	1	114.4450	0.000	1	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]C)	115.1345	0.316	2	115.1345	0.100	2	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H)	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]O[6]C)	109.0213	1.291	4	109.0213	1.667	4	108.9744	1.127	953	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	O[6](C[6]C[6]CH)(P[6]O[6]NO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>}	O[6](C[6]C[6]CH)(P[6]O[6]NO){3|C<4>}	H(C[6]C[6]O[6]C)	107.8290	0.000	1	107.8290	0.000	1	107.5120	1.444	12	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	O[6](C[6]C[6]CH)(P[6]O[6]SS)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H){1|O<2>,1|S<1>,1|S<2>,2|H<1>}	O[6](C[6]C[6]CH)(P[6]O[6]SS){3|C<4>}	H(C[6]C[6]O[6]C)	106.4930	0.000	1	106.4930	0.000	1	107.5120	1.444	12	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H)	O[6](C[6]C[6]CH)(P[6]C[6]OO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	O[6](C[6]C[6]CH)(P[6]C[6]OO){2|H<1>,3|C<4>}	H(C[6]C[6]O[6]C)	107.0620	0.000	1	107.0620	0.000	1	107.5120	1.444	12	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H)	O[6](C[6]C[6]CH)(P[6]O[6]OO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O[6](C[6]C[6]CH)(P[6]O[6]OO){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	106.8392	1.548	4	106.8392	2.395	4	107.5120	1.444	12	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	O[6](C[6]C[6]CH)(P[6]O[6]NS)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<1>}	O[6](C[6]C[6]CH)(P[6]O[6]NS){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.5720	1.513	2	108.5720	2.290	2	107.5120	1.444	12	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	O[6](C[6]C[6]CH)(P[6]C[6]BO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(P[6]C[6]BO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	107.9770	0.000	1	108.0863	0.010	3	107.5120	1.444	12	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	O[6](C[6]C[6]CH)(P[6]C[6]BO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(P[6]C[6]BO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	108.1410	0.034	2	108.0863	0.010	3	107.5120	1.444	12	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H)	O[6](C[6]C[6]CH)(S[6]O[6]OO)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	O[6](C[6]C[6]CH)(S[6]O[6]OO){1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4945	0.091	2	108.4945	0.008	2	108.4945	0.008	2	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	O[6](P[6]C[6]O[6]O)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O[6](P[6]C[6]O[6]O)(C[6]C[6]CH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	110.7300	1.970	2	110.7300	3.881	2	110.7300	3.881	2	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	S[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H)	O[6](S[6]C[6,6a]NO)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	O[6](S[6]C[6,6a]NO)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	109.7380	0.000	1	109.7380	0.000	1	111.1297	2.737	3	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	S[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H)	O[6](S[6]C[6a]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](S[6]C[6a]2O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	112.9590	0.000	1	112.9590	0.000	1	111.1297	2.737	3	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:C-4:H-1:	S[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H)	O[6](S[6]C[6a]2O[6])(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](S[6]C[6a]2O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]O[6]C)	110.6920	0.000	1	110.6920	0.000	1	111.1297	2.737	3	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:S-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(SC[6a]OO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HH)(O[6]C[6,6])(SC[6a]OO)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]O[6]S)	105.7527	2.221	4	105.7527	4.933	4	105.7527	4.933	4	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:2:4:1:	4:4:	4:	C[6]-4:O[6]-2:S-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	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[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	108.8774	1.340	1212	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:2:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]O[6])(H)	O[6](C[6]C[6]2H)(O[6]C[6])	H(C[6]C[6]2O[6])	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]H)(O[6]O[6])(H){1|H<1>,7|C<4>}	O[6](C[6]C[6]2H)(O[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2O[6])	106.5027	0.288	3	106.5027	0.083	3	106.5027	0.083	3	108.0260	4.424	5	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:2:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H)	O[6](C[6]C[6a]C[6]H)(O[6]C[6,6])	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	110.3110	0.352	2	110.3110	0.124	2	110.3110	0.124	2	108.0260	4.424	5	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:3:	4:	C[5,5]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H)	O[6](C[6]C[5,5]N[6]H)(N[6]C[6]C)	H(C[6]C[5,5]N[6]O[6])	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H){1|O<2>,3|H<1>,5|C<4>}	O[6](C[6]C[5,5]N[6]H)(N[6]C[6]C){2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,5]N[6]O[6])	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[3,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3,6]N[3,6]C[3]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[3,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[3,6]C[6a]O[6])	C[6](C[3,6]N[3,6]C[3]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[3,6]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[3,6]C[6a]O[6])	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[3x6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	O[6](C[6]C[3x6]C[6a]H)(C[6]C[6]CO)	H(C[6]C[3x6]C[6a]O[6])	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	O[6](C[6]C[3x6]C[6a]H)(C[6]C[6]CO){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[3x6]C[6a]O[6])	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	O[6](C[6]C[5,6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[5,6,6]C[6a]O[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[5,6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6a]O[6])	107.3080	0.000	1	107.3080	0.000	1	107.3080	0.000	1	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[5a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5a]C[5a]S[5a])(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5a]H)	H(C[6]C[5,6]C[5a]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[5a]C[5a]S[5a])(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5a]H){1|C<3>,1|S<2>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[5a]O[6])	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6a]O[6])	108.4410	0.000	1	108.4410	0.000	1	108.4410	0.000	1	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]N[5,6,6]C[6,6a]H)(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|N<3>,4|C<3>,6|H<1>}	O[6](C[6,6]N[5,6,6]C[6,6a]H)(C[6]C[5,6]C[6a]H){1|N<3>,2|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.7410	0.000	1	108.7410	0.000	1	109.4715	1.067	2	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|C<2>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]C[6a]H){1|C<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	110.2020	0.000	1	110.2020	0.000	1	109.4715	1.067	2	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.2040	0.000	1	108.2040	0.000	1	108.8725	0.894	2	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,6|H<1>}	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	109.5410	0.000	1	109.5410	0.000	1	108.8725	0.894	2	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]CO)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]CO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6a]O[6])	107.9300	0.000	1	107.9300	0.000	1	108.4675	0.214	4	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]NO)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]NO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.4820	0.000	1	108.4820	0.000	1	108.4675	0.214	4	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]OO)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6]C[5,6]C[6a]H)(P[6]O[6]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.7290	0.465	2	108.7290	0.216	2	108.4675	0.214	4	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	P[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	O[6](P[5,6]C[5,6]O[5]Cr)(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|Cr<6>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	O[6](P[5,6]C[5,6]O[5]Cr)(C[6]C[5,6]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	107.5700	0.000	1	107.5700	0.000	1	105.4077	2.080	4	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	P[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	O[6](P[5,6]C[5,6]O[5]Mo)(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|Mo<6>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	O[6](P[5,6]C[5,6]O[5]Mo)(C[6]C[5,6]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	104.7170	0.038	2	104.7170	0.001	2	105.4077	2.080	4	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	P[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	O[6](P[5,6]C[5,6]O[5]W)(C[6]C[5,6]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|O<2>,1|W<6>,2|H<1>,3|C<3>,4|C<4>}	O[6](P[5,6]C[5,6]O[5]W)(C[6]C[5,6]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	104.6270	0.000	1	104.6270	0.000	1	105.4077	2.080	4	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5,6]-4:N[5a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H)	O[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]CH)	H(C[6]C[5,6]N[5a]O[6])	C[6](C[5,6]N[5,5,6]O[5]H)(N[5a]C[5a,6a]C[5a])(O[6]C[6])(H){1|C<3>,2|H<1>,2|N<2>,4|C<4>}	O[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]CH){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]N[5a]O[6])	109.6815	0.323	2	109.6815	0.104	2	109.6815	0.104	2	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[5]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]O[6]CC)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)(O[6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]O[6]CC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5]C[6]O[6])	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6,6]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){3|C<3>,3|C<4>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	107.8480	0.000	1	107.8480	0.000	1	108.3068	0.076	5	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.5740	0.000	1	108.5740	0.000	1	108.3068	0.076	5	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|C<4>,2|N<3>,2|O<1>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H){1|H<1>,4|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.3940	0.072	2	108.3707	0.004	3	108.3068	0.076	5	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|C<4>,2|N<3>,2|O<1>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.3240	0.000	1	108.3707	0.004	3	108.3068	0.076	5	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.5340	0.000	1	108.5340	0.000	1	108.6355	0.203	18	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	O[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]O[6])	109.2940	0.000	1	109.2940	0.000	1	108.6355	0.203	18	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH){2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.1000	0.000	1	108.1000	0.000	1	108.6355	0.203	18	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	109.2780	0.284	2	109.2780	0.081	2	108.6355	0.203	18	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.4140	0.150	2	108.4705	0.138	11	108.6355	0.203	18	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,1|N<3>,3|C<3>,6|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	109.3070	0.000	1	108.4705	0.138	11	108.6355	0.203	18	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.1890	0.000	1	108.4705	0.138	11	108.6355	0.203	18	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.3650	0.000	1	108.4705	0.138	11	108.6355	0.203	18	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.5665	0.159	2	108.4705	0.138	11	108.6355	0.203	18	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.3383	0.384	4	108.4705	0.138	11	108.6355	0.203	18	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.8240	0.000	1	108.8240	0.000	1	108.6355	0.203	18	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.9560	0.000	1	108.9560	0.000	1	108.6355	0.203	18	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:Si[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H)	O[6](C[6]C[6,6]C[6a]H)(Si[6]N[3,6]CC)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6]C[6a]H)(Si[6]N[3,6]CC){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	109.1650	0.000	1	109.1650	0.000	1	109.1650	0.000	1	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[3x6]C[6]O)(C[6]C[5a]C[6]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6,6])(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[6,6]C[3x6]C[6]O)(C[6]C[5a]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5a]C[6]O[6])	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	H(C[6]C[6]2O[6])	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(O[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2O[6])	107.5580	0.096	2	107.5580	0.009	2	107.6885	0.033	12	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O[6])	107.4410	0.000	1	107.7113	0.038	9	107.6885	0.033	12	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O[6])	107.8870	0.267	2	107.7113	0.038	9	107.6885	0.033	12	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O[6])	107.7124	0.153	5	107.7113	0.038	9	107.6885	0.033	12	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]O[6]O)(O[6]C[6])(H){1|N<3>,1|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O[6])	107.6250	0.000	1	107.7113	0.038	9	107.6885	0.033	12	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CH)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2O[6])	107.7440	0.000	1	107.7440	0.000	1	107.6885	0.033	12	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|H<1>,5|C<3>}	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6]H){2|H<1>,8|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6280	0.000	1	108.6280	0.000	1	108.6280	0.000	1	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[3x6])(H)	O[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[3x6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8455	0.057	2	108.8455	0.003	2	108.8455	0.003	2	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6440	0.000	1	108.6440	0.000	1	108.3003	0.098	3	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	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[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]C[6]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.0310	0.000	1	108.0310	0.000	1	108.3003	0.098	3	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6,6]C[6a]C[5])(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<4>,3|H<1>,4|C<3>}	O[6](C[5,6]C[5,6,6]C[6a]C[5])(C[6]C[6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]O[6])	108.2260	0.000	1	108.2260	0.000	1	108.3003	0.098	3	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6a]C[6]O[6])	109.3040	0.000	1	109.3040	0.000	1	109.2090	1.758	7	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]O[6])	109.1932	1.452	6	109.1932	2.108	6	109.2090	1.758	7	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:B[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](C[6]C[6a]C[6]H)(B[6]N[6,6]CC)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6]H)(B[6]N[6,6]CC){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7593	0.754	3	108.7593	0.568	3	108.7542	0.379	4	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:B[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](C[6]C[6a]C[6]H)(B[6]C[5,6]CC)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6]H)(B[6]C[5,6]CC){2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6a]C[6]O[6])	108.7390	0.000	1	108.7390	0.000	1	108.7542	0.379	4	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,5,6]HH)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6]C[5,5,6]HH)(C[6]C[6a]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	109.1740	0.000	1	109.1740	0.000	1	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9210	0.000	1	108.9210	0.000	1	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H){1|I<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.6983	0.232	3	107.6983	0.054	3	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.8050	0.000	2	108.9350	0.023	4	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.0650	0.000	2	108.9350	0.023	4	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|S<2>,3|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3510	0.000	1	108.3510	0.000	1	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.4810	0.000	1	108.4810	0.000	1	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	107.1820	0.000	1	107.8130	0.299	3	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.1285	0.029	2	107.8130	0.299	3	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.3500	0.000	1	108.3500	0.000	1	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,5|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	106.8780	0.000	1	106.8780	0.000	1	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,7|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H){1|H<1>,7|C<3>}	H(C[6]C[6a]C[6]O[6])	108.4385	0.070	2	108.4385	0.005	2	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){4|H<1>,6|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.8050	0.000	1	107.8050	0.000	1	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6a]C[6]O[6])	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[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.1080	0.223	2	109.1080	0.050	2	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.4830	0.000	1	108.3510	1.507	2	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2190	0.000	1	108.3510	1.507	2	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H){5|C<3>,6|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.2190	0.000	1	107.2190	0.000	1	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.2680	0.000	1	108.2680	0.000	1	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,4|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.7350	0.000	1	107.7350	0.000	1	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,5|C<3>}	O[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	109.4250	0.000	1	109.4250	0.000	1	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9610	0.000	1	108.9610	0.000	1	108.3442	0.507	28	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[5]O[6])	108.5430	0.000	1	108.5430	0.000	1	109.2188	0.271	8	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	H(C[6]C[6]N[5]O[6])	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[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[5]O[6])	109.0070	0.472	2	109.3153	0.229	7	109.2188	0.271	8	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	H(C[6]C[6]N[5]O[6])	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[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[5]O[6])	109.7800	0.260	2	109.3153	0.229	7	109.2188	0.271	8	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	H(C[6]C[6]N[5]O[6])	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[6](C[6]C[6]N[5]H)(C[6]C[6]CH){2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]N[5]O[6])	108.8190	0.000	1	109.3153	0.229	7	109.2188	0.271	8	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	H(C[6]C[6]N[5]O[6])	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[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[5]O[6])	109.0940	0.000	1	109.3153	0.229	7	109.2188	0.271	8	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	H(C[6]C[6]N[5]O[6])	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[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[5]O[6])	109.7200	0.000	1	109.3153	0.229	7	109.2188	0.271	8	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	C[6]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(N[6]O[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]N[6]H)(C[6]C[6]HH)	H(C[6]C[6]N[6]O[6])	C[6](C[6]C[6]2H)(N[6]O[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	O[6](C[6]C[6]N[6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]O[6])	107.0480	0.000	1	107.0480	0.000	1	107.0480	0.000	1	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	N[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]RuH)(C[6a]C[6a]2)(O[6]C[6])(H)	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6,6a]RuH)(C[6a]C[6a]2)(O[6]C[6])(H){1|P<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){1|Ru<8>,1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](B[6]C[5,6,6]C[6a]2)(C[6]C[6a]P[6]H)	H(C[6]C[6a]O[6]P[6])	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	O[6](B[6]C[5,6,6]C[6a]2)(C[6]C[6a]P[6]H){1|H<1>,2|C<4>,8|C<3>}	H(C[6]C[6a]O[6]P[6])	109.6080	0.000	1	109.6080	0.000	1	108.0857	10.562	3	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H)	H(C[6]C[6a]O[6]P[6])	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){1|C<4>,4|H<1>,8|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6a]O[6]P[6])	104.3540	0.000	1	107.3245	17.648	2	108.0857	10.562	3	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:3:2:1:	4:4:	4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	B[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H)	H(C[6]C[6a]O[6]P[6])	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6]H){1|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6a]O[6]P[6])	110.2950	0.000	1	107.3245	17.648	2	108.0857	10.562	3	108.4334	1.127	116	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	B[5,5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](B[5,5]N[5,5]O[5]2)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]B[5,5]C[6]H)(C[6]C[6]CH)	H(C[6]B[5,5]C[6]O[6])	C[6](B[5,5]N[5,5]O[5]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,3|H<1>,5|C<4>}	O[6](C[6]B[5,5]C[6]H)(C[6]C[6]CH){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	H(C[6]B[5,5]C[6]O[6])	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[3]C[3]O[3]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[3]C[6]H)	H(C[6]C[3]C[6]O[6])	C[6](C[3]C[3]O[3]H)(C[6]C[6]HH)(O[6]C[6,6])(H){3|H<1>,4|C<4>}	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[3]C[6]H){2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[3]C[6]O[6])	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3]C[3]N[3]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6]C[3]C[6]H)(C[6]C[6]CO)	H(C[6]C[3]C[6]O[6])	C[6](C[3]C[3]N[3]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	O[6](C[6]C[3]C[6]H)(C[6]C[6]CO){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[3]C[6]O[6])	109.7820	0.000	1	109.7820	0.000	1	109.2560	0.553	2	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[3]C[6]H)(C[6]C[6]HH)	H(C[6]C[3]C[6]O[6])	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,5|H<1>}	O[6](C[6]C[3]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3]C[6]O[6])	108.7300	0.000	1	108.7300	0.000	1	109.2560	0.553	2	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H)	O[6](C[6]C[3x6]CH)(C[6]O[6]CC)	H(C[6]C[3x6]O[6]C)	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H){1|O<2>,2|H<1>,5|C<4>}	O[6](C[6]C[3x6]CH)(C[6]O[6]CC){3|C<4>}	H(C[6]C[3x6]O[6]C)	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[3x6]C[6]H)(C[6]C[6]CH)	H(C[6]C[3x6]C[6]O[6])	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	O[6](C[6]C[3x6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]O[6])	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]C)	108.6980	0.000	1	108.6980	0.000	1	108.9095	0.089	2	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HH)	H(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	O[6](C[6]C[5,6]CH)(C[6]C[6]HH){2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]C)	109.1210	0.000	1	109.1210	0.000	1	108.9095	0.089	2	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5]H)	H(C[6]C[5,6]C[5]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[5,6])(H){1|N<3>,2|O<2>,3|C<4>,4|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[5]H){3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[5]O[6])	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[5]H)(C[6]C[6]HO)	H(C[6]C[5,6]C[5]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){3|C<4>,3|O<2>,4|H<1>}	O[6](C[6]C[5,6]C[5]H)(C[6]C[6]HO){2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[5]O[6])	108.9750	0.000	1	108.9750	0.000	1	109.2756	0.956	5	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)	H(C[6]C[5,6]C[5]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	O[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H){1|I<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[5]O[6])	108.8113	0.330	3	108.8113	0.109	3	109.2756	0.956	5	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H)	O[6](C[6]C[5,6]C[5]H)(C[6]O[6]CC)	H(C[6]C[5,6]C[5]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[5]C[5]O[5]H)(O[6]C[6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[5,6]C[5]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[5]O[6])	110.9690	0.000	1	110.9690	0.000	1	109.2756	0.956	5	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:Si[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H)	O[6](C[6]C[5,6]C[5]H)(Si[6]O[6]CC)	H(C[6]C[5,6]C[5]O[6])	C[6](C[5,6]C[5]C[6]O[5])(C[5]C[5]O[5]H)(O[6]Si[6])(H){3|O<2>,4|H<1>,6|C<4>}	O[6](C[6]C[5,6]C[5]H)(Si[6]O[6]CC){1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[5]O[6])	107.1270	0.000	1	107.1270	0.000	1	107.1270	0.000	1	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O[6]H)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]O[6]H)(O[6]C[5,6])(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,4|C<4>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H){3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]O[6])	109.1340	0.000	1	109.1340	0.000	1	106.1933	8.132	3	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]2H)(O[6]C[5,6])(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]O[6])	104.7230	1.814	2	104.7230	3.292	2	106.1933	8.132	3	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5,6a]C[5]C)(C[6]C[5,6]HO)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)	H(C[6]C[5]C[6]O[6])	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[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5]C[6]O[6])	105.9923	0.138	3	105.9923	0.019	3	107.9375	1.008	19	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]2C)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	H(C[6]C[5]C[6]O[6])	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[6](C[6]C[5]C[6]H)(C[6]C[6]CH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5]C[6]O[6])	108.7070	0.000	1	108.7070	0.000	1	107.9375	1.008	19	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5]C[6]O[6])	108.9000	0.000	1	108.9000	0.000	1	107.9375	1.008	19	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]O[6]CH)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]N[5]H)(C[6]O[6]CH)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5]C[6]O[6])	108.3173	0.047	3	108.3173	0.002	3	107.9375	1.008	19	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]N[5]H)(C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]N[5]H)(C[6]O[6]HH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5]C[6]O[6])	108.7780	0.000	1	108.7780	0.000	1	107.9375	1.008	19	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CC)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CC){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5]C[6]O[6])	108.9260	0.000	1	108.9260	0.000	1	107.9375	1.008	19	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,2|S<4>,3|C<4>,3|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]O[6])	108.6550	0.000	1	108.1447	0.298	3	107.9375	1.008	19	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5]C[6]O[6])	108.2100	0.000	1	108.1447	0.298	3	107.9375	1.008	19	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,5|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5]C[6]O[6])	107.5690	0.000	1	108.1447	0.298	3	107.9375	1.008	19	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO)	H(C[6]C[5]C[6]O[6])	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]O[6])	108.8520	0.174	2	108.8520	0.030	2	107.9375	1.008	19	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5]C[6]H)	H(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])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]O[6]H)(C[6]C[5]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5]C[6]O[6])	107.8610	0.021	2	107.8610	0.000	2	107.9375	1.008	19	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5]N[5,5]C[5]C)(C[6]C[6]HN)(O[6]C[6])(H)	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	H(C[6]C[5]C[6]O[6])	C[6](C[5]N[5,5]C[5]C)(C[6]C[6]HN)(O[6]C[6])(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5]C[6]O[6])	107.3565	0.050	2	107.3565	0.003	2	107.9375	1.008	19	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[3]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3]2H)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)	H(C[6]C[6,6]C[3]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3]2H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	O[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[3]O[6])	108.4150	0.113	2	108.4150	0.013	2	108.4150	0.013	2	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[5]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]2C[6])(C[5]C[5]N[5]H)(O[6]C[6])(H)	O[6](C[6]C[6,6]C[5]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6]C[5]O[6])	C[6](C[6,6]C[6,6a]2C[6])(C[5]C[5]N[5]H)(O[6]C[6])(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	O[6](C[6]C[6,6]C[5]H)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6]C[5]O[6])	109.2490	0.000	1	109.2490	0.000	1	109.2490	0.000	1	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]C)	108.4110	0.000	1	108.4110	0.000	1	108.5495	1.537	22	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	107.8360	0.000	1	107.8360	0.000	1	108.5495	1.537	22	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	108.1205	0.497	2	108.1205	0.247	2	108.5495	1.537	22	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	109.4760	0.000	1	109.4760	0.000	1	108.5495	1.537	22	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.1975	0.470	2	109.1975	0.221	2	108.5495	1.537	22	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]C)	108.7130	0.000	1	108.7130	0.000	1	108.5495	1.537	22	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	H(C[6]C[6]O[6]C)	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[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.7353	0.346	6	109.7353	0.120	6	108.5495	1.537	22	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H)	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH)	H(C[6]C[6]O[6]C)	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,2|H<1>}	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]C)	107.3530	1.027	2	107.3530	1.054	2	108.5495	1.537	22	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H){1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	106.8460	0.000	1	106.8460	0.000	1	108.5495	1.537	22	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>}	H(C[6]C[6]O[6]C)	107.8830	0.000	1	107.8830	0.000	1	108.5495	1.537	22	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]P[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|P<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]P[6]HH){1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	107.1247	1.621	3	107.1247	2.627	3	108.5495	1.537	22	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]P[6]HH)	H(C[6]C[6]O[6]C)	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H){1|P<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]P[6]HH){1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	109.7950	0.000	1	109.7950	0.000	1	108.5495	1.537	22	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[5]C[5]2H)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5]C[6]H)	H(C[6]C[5]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[5]C[5]2H)(O[6]C[5,6])(H){1|H<1>,1|O<1>,2|O<2>,6|C<4>}	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[5]C[6]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5]C[6]O[6])	107.1320	0.000	1	107.1320	0.000	1	107.1320	0.000	1	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,4|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]2O[6])	107.7980	0.134	2	107.7980	0.018	2	107.7980	0.018	2	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]2H)(O[6]C[6])(H)	O[6](C[6]C[5a,6]CH)(C[6]C[6]2H)	H(C[6]C[6]2O[6])	C[6](C[6]C[5a,6]HH)(C[6]C[6]2H)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O[6](C[6]C[5a,6]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O[6])	108.4000	0.000	2	108.4000	0.000	2	108.5815	0.234	11	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]S[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2C)(C[6]S[6]HH)(O[6]C[6])(H){1|C<4>,1|N<1>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6]C[6]2H)(C[6]C[6]HH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2O[6])	108.9180	0.000	1	108.9180	0.000	1	108.5815	0.234	11	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,6|H<1>}	O[6](C[6]C[6]2H)(C[6]C[6]HH){3|C<4>,5|H<1>}	H(C[6]C[6]2O[6])	109.0140	0.000	1	109.0140	0.000	1	108.5815	0.234	11	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O[6])	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[6](C[6]C[6]O[6]H)(C[6]C[6]2H){1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6]2O[6])	108.4480	0.000	1	108.4480	0.000	1	108.5815	0.234	11	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]OO)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6]2O[6])	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[6](C[6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2O[6])	109.2395	0.145	2	109.2395	0.021	2	108.5815	0.234	11	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CH)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]BrH)(C[6]C[6]2H)(O[6]C[6])(H){1|Br<1>,4|C<4>,6|H<1>}	O[6](C[6]C[6]2H)(C[6]C[6]CH){1|Br<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2O[6])	107.8900	0.000	1	107.8900	0.000	1	108.5815	0.234	11	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O[6])	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[6](C[6]C[6a]O[6]H)(C[6]C[6]2H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2O[6])	108.1220	0.409	2	108.1220	0.167	2	108.5815	0.234	11	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]CO)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,4|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6]2O[6])	108.6040	0.000	1	108.6040	0.000	1	108.5815	0.234	11	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:S[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]S[6])(H)	O[6](C[6]C[6]2H)(S[6]N[6]OO)	H(C[6]C[6]2O[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(O[6]S[6])(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,5|H<1>}	O[6](C[6]C[6]2H)(S[6]N[6]OO){3|C<4>,4|H<1>}	H(C[6]C[6]2O[6])	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753
466	622	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:2:1:	4:4:	4:	C[6]-4:S-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	H(C[6]C[6]O[6]S)	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[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]S)	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	108.3241	1.380	78	109.1322	1.365	13261	109.1056	1.427	14753