893	466	952	0:SP3_SP3_SP3	O	C[6,6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6,6]-4:S-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6,6]C[3x6]2H)(SCOO)	C[6,6](C[3x6]C[6,6]2H)2(OS)(H)	S(OC[6,6])(CH3)(O)2	O(C[6,6]C[3x6]2H)(SCOO)	C[6,6](C[3x6]C[6,6]2H)2(OS)(H){2|C<4>,8|H<1>}	S(OC[6,6])(CH3)(O)2	119.1330	0.000	1	119.1330	0.000	1	118.4385	0.965	2	118.4483	0.483	3	118.9413	1.928	17	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6,6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6,6]-4:S-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6,6]C[3x6]2H)(SCOO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	S(OC[6,6])(CH3)(O)2	O(C[6,6]C[3x6]2H)(SCOO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	S(OC[6,6])(CH3)(O)2	117.7440	0.000	1	117.7440	0.000	1	118.4385	0.965	2	118.4483	0.483	3	118.9413	1.928	17	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6,6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6,6]-4:S-4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6,6]C[4x6]C[6,6]H)(SCOO)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H)	S(OC[6,6])(CH3)(O)2	O(C[6,6]C[4x6]C[6,6]H)(SCOO)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H){1|O<1>,2|H<1>,3|C<4>}	S(OC[6,6])(CH3)(O)2	118.4680	0.000	1	118.4680	0.000	1	118.4680	0.000	1	118.4483	0.483	3	118.9413	1.928	17	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6,6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6,6]-4:S-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6,6]C[3x6]2H)(SC[6a]OO)	C[6,6](C[3x6]C[6,6]2H)2(OS)(H)	S(C[6a]C[6a]2)(OC[6,6])(O)2	O(C[6,6]C[3x6]2H)(SC[6a]OO)	C[6,6](C[3x6]C[6,6]2H)2(OS)(H){2|C<4>,8|H<1>}	S(C[6a]C[6a]2)(OC[6,6])(O)2	118.4435	0.066	2	118.4435	0.004	2	118.5920	2.177	7	118.4706	1.984	8	118.9413	1.928	17	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6,6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6,6]-4:S-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6,6]C[3x6]2H)(SC[6a]OO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	S(C[6a]C[6a]2)(OC[6,6])(O)2	O(C[6,6]C[3x6]2H)(SC[6a]OO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	S(C[6a]C[6a]2)(OC[6,6])(O)2	118.6514	1.803	5	118.6514	3.249	5	118.5920	2.177	7	118.4706	1.984	8	118.9413	1.928	17	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6,6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6,6]-4:S-4:	C[5,3x6]-4:C[6,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6,6]C[5,3x6]C[6,6]H)(SC[6a]OO)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H)	S(C[6a]C[6a]2)(OC[6,6])(O)2	O(C[6,6]C[5,3x6]C[6,6]H)(SC[6a]OO)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H){1|C<3>,4|C<4>,4|H<1>}	S(C[6a]C[6a]2)(OC[6,6])(O)2	117.6210	0.000	1	117.6210	0.000	1	117.6210	0.000	1	118.4706	1.984	8	118.9413	1.928	17	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6,6]	S	4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:S-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(C[6,6]C[3x6]2H)(SCOO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	S(CC[5,5,6]HH)(OC[6,6])(O)2	O(C[6,6]C[3x6]2H)(SCOO)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	S(CC[5,5,6]HH)(OC[6,6])(O)2	119.8153	1.335	6	119.8153	1.781	6	119.8153	1.781	6	119.8153	1.781	6	118.9413	1.928	17	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(OC[6])(O)2	119.1370	0.361	2	119.1370	0.130	2	119.1370	0.130	2	119.1370	0.130	2	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:Cl-1:O-1:O-1:	O(C[6]C[6]2H)(SClOO)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H)	S(OC[6])(Cl)(O)2	O(C[6]C[6]2H)(SClOO)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|I<1>,2|H<1>}	S(OC[6])(Cl)(O)2	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	119.3470	0.691	2	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-1:O-1:O-1:	O(C[6]C[6]2H)(SO3)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H)	S(OC[6])(O)3	O(C[6]C[6]2H)(SO3)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H){1|N<3>,2|C<4>,2|H<1>}	S(OC[6])(O)3	118.7590	0.000	1	118.7590	0.000	1	118.7590	0.000	1	119.3470	0.691	2	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:3:1:1:	C[6]-4:S-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:N-3:O-1:O-1:	O(C[6]C[5,6]2H)(SNOO)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H)	S(OC[6])(NHH)(O)2	O(C[6]C[5,6]2H)(SNOO)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H){2|C<4>,2|O<2>,3|H<1>}	S(OC[6])(NHH)(O)2	119.6740	0.000	1	119.6740	0.000	1	119.6740	0.000	1	120.5995	1.713	2	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:3:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H)	S(OC[6])(CHH)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	S(OC[6])(CHH)(O)2	121.5250	0.000	1	121.5250	0.000	1	121.5250	0.000	1	120.5995	1.713	2	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[4,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[4,6]C[6]H)(SCOO)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[4,6]C[6]H)(SCOO)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H){3|C<4>,4|H<1>}	S(OC[6])(CH3)(O)2	122.4070	0.000	1	122.4070	0.000	1	122.4070	0.000	1	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6,6]2H)(SCOO)	C[6](C[6,6]C[6,6]O[6]H)2(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6,6]2H)(SCOO)	C[6](C[6,6]C[6,6]O[6]H)2(OS)(H){2|H<1>,2|O<2>,3|C<4>}	S(OC[6])(CH3)(O)2	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H){3|C<4>,5|H<1>}	S(OC[6])(CH3)(O)2	122.5675	0.151	2	122.5675	0.023	2	121.7876	1.657	8	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H){4|C<4>,4|H<1>}	S(OC[6])(CH3)(O)2	118.9030	0.000	1	118.9030	0.000	1	121.7876	1.657	8	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	S(OC[6])(CH3)(O)2	122.0620	0.000	1	122.0620	0.000	1	121.7876	1.657	8	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6,6]C[6]H)(SCOO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	S(OC[6])(CH3)(O)2	122.0503	0.750	4	122.0503	0.563	4	121.7876	1.657	8	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H)	S(OC[6])(CC3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	S(OC[6])(CC3)(O)2	120.7890	0.000	1	120.7890	0.000	1	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H){2|H<1>,3|C<4>}	S(OC[6])(CH3)(O)2	119.4460	0.000	1	119.4460	0.000	1	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	S(OC[6])(CH3)(O)2	121.4315	0.706	4	121.4315	0.499	4	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	S(OC[6])(CF3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	S(OC[6])(CF3)(O)2	121.4020	0.000	1	121.4020	0.000	1	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]FH)2(OS)(H)	S(OC[6])(CF3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]FH)2(OS)(H){1|C<4>,2|F<1>,2|H<1>}	S(OC[6])(CF3)(O)2	123.7110	0.000	1	123.7110	0.000	1	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	S(OC[6])(CH3)(O)2	120.4603	0.641	3	120.4603	0.410	3	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<3>,1|O<2>,3|H<1>}	S(OC[6])(CH3)(O)2	117.7570	0.000	1	119.5686	0.653	7	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,1|N<3>,3|H<1>}	S(OC[6])(CH3)(O)2	119.8070	0.000	1	119.5686	0.653	7	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	S(OC[6])(CH3)(O)2	119.9657	0.049	3	119.5686	0.653	7	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(OS)(H){1|N<3>,4|C<4>}	S(OC[6])(CH3)(O)2	119.7595	0.168	2	119.5686	0.653	7	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	S(OC[6])(CH3)(O)2	116.7060	0.000	1	116.7060	0.000	1	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	S(OC[6])(CH3)(O)2	119.8420	0.000	1	119.8420	0.000	1	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H)	S(OC[6])(CH3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H){1|N<3>,2|H<1>}	S(OC[6])(CH3)(O)2	119.7400	0.000	1	119.7400	0.000	1	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	S(OC[6])(CF3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	S(OC[6])(CF3)(O)2	120.4400	0.000	1	120.2145	0.102	2	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	S(OC[6])(CF3)(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|F<1>,2|H<1>,3|C<3>}	S(OC[6])(CF3)(O)2	119.9890	0.000	1	120.2145	0.102	2	120.2675	1.933	23	120.7433	2.240	33	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(SC3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H)	S(OC[6])(CC3)(CH3)2	O(C[6]C[6]2H)(SC3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H){1|C<4>,2|H<1>}	S(OC[6])(CC3)(CH3)2	126.1655	0.183	2	126.1655	0.034	2	126.1655	0.034	2	126.1655	0.034	2	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,3|C<4>,4|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	118.0120	0.000	1	118.0120	0.000	1	119.1437	3.851	4	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H)	S(C[6a]C[6a,6a]C[6a])(OC[6])(O)2	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	S(C[6a]C[6a,6a]C[6a])(OC[6])(O)2	118.4190	1.599	2	118.4190	2.558	2	119.1437	3.851	4	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,2|C<4>,4|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	121.7250	0.000	1	121.7250	0.000	1	119.1437	3.851	4	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H){1|C<3>,1|H<1>,6|C<4>}	S(C[6a]C[6a]2)(OC[6])(O)2	118.0360	0.759	2	118.0360	0.577	2	119.0586	4.050	5	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	S(C[6a]C[6a]2)(OC[6])(O)2	122.4520	0.000	1	122.4520	0.000	1	119.0586	4.050	5	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	S(C[6a]C[6a]2)(OC[6])(O)2	119.1290	0.000	1	119.1290	0.000	1	119.0586	4.050	5	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H){1|H<1>,1|O<2>,2|C<4>}	S(C[6a]C[6a]2)(OC[6])(O)2	117.6400	0.000	1	117.6400	0.000	1	119.0586	4.050	5	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H){2|H<1>,3|C<4>}	S(C[6a]C[6a]2)(OC[6])(O)2	123.3060	0.000	1	123.3060	0.000	1	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	118.2780	0.000	2	118.2780	0.000	2	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)2(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<3>,2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	118.1870	0.000	1	117.6165	0.288	4	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)2(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<4>,2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	117.4263	0.463	3	117.6165	0.288	4	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	118.9260	0.000	1	118.9260	0.000	1	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	122.1160	0.000	1	122.1160	0.000	1	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	117.5557	0.795	3	118.5763	4.588	4	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	121.6380	0.000	1	118.5763	4.588	4	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(OC[6])(O)2	119.9620	0.000	1	119.9620	0.000	1	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H){2|C<3>}	S(C[6a]C[6a]2)(OC[6])(O)2	119.7140	0.000	1	119.7140	0.000	1	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	119.5350	0.915	3	119.5350	0.838	3	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	119.3410	0.000	1	119.3410	0.000	1	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	119.7230	2.247	2	119.7230	5.050	2	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<3>,1|O<2>,3|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	119.1700	0.000	1	118.9624	0.509	8	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(OC[6])(O)2	118.8962	0.832	6	118.9624	0.509	8	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(OS)(H){1|N<3>,4|C<4>}	S(C[6a]C[6a]2)(OC[6])(O)2	119.1520	0.000	1	118.9624	0.509	8	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HO)2(OS)(H)	S(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HO)2(OS)(H){1|C<4>,2|H<1>,2|O<2>}	S(C[6a]C[6a]2)(OC[6])(O)2	122.9400	0.000	1	122.9400	0.000	1	119.2461	2.751	30	119.2115	2.834	39	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:S-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(C[6]C[5,6]C[6]H)(SCOO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H)	S(CC[5,5,6]HH)(OC[6])(O)2	O(C[6]C[5,6]C[6]H)(SCOO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H){1|C<4>,2|C<3>,8|H<1>}	S(CC[5,5,6]HH)(OC[6])(O)2	120.4910	0.000	1	120.4910	0.000	1	120.2100	0.158	2	121.4381	1.318	7	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:S-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(C[6]C[5,6]C[6]H)(SCOO)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H)	S(CC[5,5,6]HH)(OC[6])(O)2	O(C[6]C[5,6]C[6]H)(SCOO)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H){4|C<3>,6|H<1>}	S(CC[5,5,6]HH)(OC[6])(O)2	119.9290	0.000	1	119.9290	0.000	1	120.2100	0.158	2	121.4381	1.318	7	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	S(CC[5,5,6]HH)(OC[6])(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	S(CC[5,5,6]HH)(OC[6])(O)2	121.7530	0.000	1	121.7530	0.000	1	121.9294	0.882	5	121.4381	1.318	7	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)2(OS)(H)	S(CC[5,5,6]HH)(OC[6])(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HO)2(OS)(H){1|C<4>,2|H<1>,2|O<2>}	S(CC[5,5,6]HH)(OC[6])(O)2	121.0985	0.408	2	121.0985	0.166	2	121.9294	0.882	5	121.4381	1.318	7	120.1649	3.762	87	119.9649	3.647	104
893	466	952	0:SP3_SP3_SP3	O	C[6]	S	4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:S-4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H)	S(CC[5,5,6]HH)(OC[6])(O)2	O(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H){4|C<3>}	S(CC[5,5,6]HH)(OC[6])(O)2	122.8485	0.508	2	122.8485	0.258	2	121.9294	0.882	5	121.4381	1.318	7	120.1649	3.762	87	119.9649	3.647	104
893	466	955	0:SP3_SP3_SP3	O	C[6]	P[5]	4:4:	4:4:2:1:	3:3:2:1:	P[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	N[5,6]-3:N[5,6]-3:O-2:S-1:	O(P[5]N[5,6]2S)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H)	P[5](N[5,6]C[5,6]C[6])2(OC[6])(S)	O(P[5]N[5,6]2S)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H){2|C<4>,3|H<1>}	P[5](N[5,6]C[5,6]C[6])2(OC[6])(S){4|C<4>,6|H<1>}	124.8120	0.000	1	124.8120	0.000	1	124.8120	0.000	1	124.8120	0.000	1	124.8120	0.000	1	124.8120	0.000	1
893	466	956	0:SP3_SP2_SP3	O	C[3x6]	N	4:3:	4:4:4:2:	2:1:1:	C[3x6]-4:N-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:O-1:O-1:	O(C[3x6]C[6,6]3)(NOO)	C[3x6](C[6,6]C[3x6]HH)3(ON)	N(OC[3x6])(O)2	O(C[3x6]C[6,6]3)(NOO)	C[3x6](C[6,6]C[3x6]HH)3(ON){3|H<1>,3|N<3>}	N(OC[3x6])(O)2	117.7350	0.000	1	117.7350	0.000	1	117.7350	0.000	1	117.7350	0.000	1	117.7350	0.000	1	115.0430	3.225	11
893	466	956	0:SP3_SP2_SP3	O	C[6,6]	N	4:3:	4:4:3:2:	2:1:1:	C[6,6]-4:N-3:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:O-1:O-1:	O(C[6,6]C[6,6]C[6]2)(NOO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(ON)	N(OC[6,6])(O)2	O(C[6,6]C[6,6]C[6]2)(NOO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(ON){1|O<2>,3|C<4>,6|H<1>}	N(OC[6,6])(O)2	116.4040	0.000	1	116.4040	0.000	1	116.4040	0.000	1	116.4040	0.000	1	116.4040	0.000	1	115.0430	3.225	11
893	466	956	0:SP3_SP2_SP3	O	C[6]	N	4:3:	4:2:2:1:	2:1:1:	C[6]-4:N-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:O-1:O-1:	O(C[6]C[6]O[6]H)(NOO)	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H)	N(OC[6])(O)2	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>}	N(OC[6])(O)2	114.5565	0.374	2	114.5565	0.140	2	114.0940	0.712	3	114.0940	0.712	3	114.5927	2.665	9	115.0430	3.225	11
893	466	956	0:SP3_SP2_SP3	O	C[6]	N	4:3:	4:2:2:1:	2:1:1:	C[6]-4:N-3:	C[6]-4:O[6]-2:O-2:H-1:	O-2:O-1:O-1:	O(C[6]C[6]O[6]H)(NOO)	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	N(OC[6])(O)2	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>}	N(OC[6])(O)2	113.1690	0.000	1	113.1690	0.000	1	114.0940	0.712	3	114.0940	0.712	3	114.5927	2.665	9	115.0430	3.225	11
893	466	956	0:SP3_SP2_SP3	O	C[6]	N	4:3:	4:2:2:1:	3:2:3:	C[6]-4:N-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:C-3:	O(C[6]C[6]O[6]H)(NC[6a]C)	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	N(C[6a]C[6a]2)(OC[6])(CCO)	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>}	N(C[6a]C[6a]2)(OC[6])(CCO)	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	114.5927	2.665	9	115.0430	3.225	11
893	466	956	0:SP3_SP2_SP3	O	C[6]	N	4:3:	4:4:2:1:	2:1:1:	C[6]-4:N-3:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:O-1:O-1:	O(C[6]C[6,6]C[6]H)(NOO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H)	N(OC[6])(O)2	O(C[6]C[6,6]C[6]H)(NOO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H){3|H<1>,5|C<4>}	N(OC[6])(O)2	115.8090	0.034	2	115.8090	0.001	2	115.8090	0.001	2	115.4553	0.376	3	114.5927	2.665	9	115.0430	3.225	11
893	466	956	0:SP3_SP2_SP3	O	C[6]	N	4:3:	4:4:2:1:	2:1:1:	C[6]-4:N-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-1:O-1:	O(C[6]C[6]2H)(NOO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H)	N(OC[6])(O)2	O(C[6]C[6]2H)(NOO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	N(OC[6])(O)2	114.7480	0.000	1	114.7480	0.000	1	114.7480	0.000	1	115.4553	0.376	3	114.5927	2.665	9	115.0430	3.225	11
893	466	956	0:SP3_SP2_SP3	O	C[6]	N	4:3:	4:4:4:2:	4:3:2:	C[6]-4:N-3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:O-2:	O(C[6]C[6]2C)(NC[6]C)	C[6](C[6]C[6,6]HH)2(CCHH)(ON)	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	O(C[6]C[6]2C)(NC[6]C)	C[6](C[6]C[6,6]HH)2(CCHH)(ON){2|H<1>,3|C<4>}	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	115.8495	0.093	2	115.8495	0.009	2	115.8495	0.009	2	115.8495	0.009	2	114.5927	2.665	9	115.0430	3.225	11
893	466	956	0:SP3_SP3_SP3	O	C[6]	N	4:3:	4:2:2:1:	3:2:3:	C[6]-4:N-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:C-3:	O(C[6]C[6]O[6]H)(NC[6a]C)	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	N(C[6a]C[6a]2)(OC[6])(CCO)	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>}	N(C[6a]C[6a]2)(OC[6])(CCO)	110.6455	0.677	2	110.6455	0.458	2	110.6455	0.458	2	110.6455	0.458	2	112.3950	4.293	5	112.3950	4.293	5
893	466	956	0:SP3_SP3_SP3	O	C[6]	N	4:3:	4:3:2:1:	2:3:1:	C[6]-4:N-3:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-3:H-1:	O(C[6]C[6]2H)(NCH)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H)	N(OC[6])(COO)(H)	O(C[6]C[6]2H)(NCH)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H){1|C<4>,1|O<2>,2|H<1>}	N(OC[6])(COO)(H)	114.6030	0.027	2	114.6030	0.001	2	114.6030	0.001	2	114.6030	0.001	2	112.3950	4.293	5	112.3950	4.293	5
893	466	956	0:SP3_SP3_SP3	O	C[6]	N	4:3:	4:3:3:2:	2:3:1:	C[6]-4:N-3:	C[6]-4:C[6]-3:N-3:O-2:	O-2:C-3:H-1:	O(C[6]C[6]2N)(NCH)	C[6](C[6]S[6]HH)(C[6]C[6]O)(NCH)(ON)	N(OC[6])(COO)(H)	O(C[6]C[6]2N)(NCH)	C[6](C[6]S[6]HH)(C[6]C[6]O)(NCH)(ON){1|C<4>,2|H<1>}	N(OC[6])(COO)(H)	111.4780	0.000	1	111.4780	0.000	1	111.4780	0.000	1	111.4780	0.000	1	112.3950	4.293	5	112.3950	4.293	5
893	466	979	0:SP2_SP2_SP3	O	C[6]	Si	4:3:	4:4:2:1:	2:4:3:	C[6]-4:Si-3:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-3:	O(C[6]C[6]2H)(SiCC)	C[6](C[6]O[6]CH)2(OSi)(H)	Si(OC[6])(CH3)(CCC)	O(C[6]C[6]2H)(SiCC)	C[6](C[6]O[6]CH)2(OSi)(H){1|C<3>}	Si(OC[6])(CH3)(CCC)	129.5290	0.000	1	129.5290	0.000	1	129.5290	0.000	1	129.5290	0.000	1	129.5290	0.000	1	129.5290	0.000	1
893	466	983	0:SP3_SP1_SP3	O	C[6]	C	4:2:	4:4:4:2:	2:1:	C[6]-4:C-2:	C[6]-4:C[6]-4:C-4:O-2:	O-2:H-1:	O(C[6]C[6]2C)(CH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC)	C(OC[6])(H)	O(C[6]C[6]2C)(CH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC){1|C<2>,1|C<4>,1|N<4>,2|H<1>}	C(OC[6])(H)	117.7310	0.000	1	117.7310	0.000	1	117.7310	0.000	1	117.7310	0.000	1	117.7310	0.000	1	117.7310	0.000	1
893	466	992	0:SP3_SP3_SP3	O	C[3x6]	P	4:4:	4:4:4:2:	2:4:4:1:	C[3x6]-4:P-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:C-4:C-4:O-1:	O(C[3x6]C[6,6]3)(PCCO)	C[3x6](C[6,6]C[3x6]HH)3(OP)	P(OC[3x6])(CHHO)(CC3)(O)	O(C[3x6]C[6,6]3)(PCCO)	C[3x6](C[6,6]C[3x6]HH)3(OP){3|C<4>,3|H<1>}	P(OC[3x6])(CHHO)(CC3)(O)	128.6530	0.000	1	128.6530	0.000	1	128.6530	0.000	1	128.6530	0.000	1	129.4998	3.077	5	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[3x6]	P	4:4:	4:4:4:2:	2:4:4:4:	C[3x6]-4:P-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:C-4:B-4:C-4:	O(C[3x6]C[6,6]3)(PBCC)	C[3x6](C[6,6]C[3x6]HH)3(OP)	P(OC[3x6])(CHHO)(BH3)(CC3)	O(C[3x6]C[6,6]3)(PBCC)	C[3x6](C[6,6]C[3x6]HH)3(OP){3|C<4>,3|H<1>}	P(OC[3x6])(CHHO)(BH3)(CC3)	130.2040	0.455	2	130.2040	0.207	2	130.2040	0.207	2	130.2040	0.207	2	129.4998	3.077	5	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[3x6]	P	4:4:	4:4:4:2:	3:2:4:1:	C[3x6]-4:P-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6a]-3:O-2:C-4:O-1:	O(C[3x6]C[6,6]3)(PC[6a]CO)	C[3x6](C[6,6]C[3x6]HH)3(OP)	P(C[6a]C[6a]2)(OC[3x6])(CHHO)(O)	O(C[3x6]C[6,6]3)(PC[6a]CO)	C[3x6](C[6,6]C[3x6]HH)3(OP){3|C<4>,3|H<1>}	P(C[6a]C[6a]2)(OC[3x6])(CHHO)(O)	126.9570	0.000	1	126.9570	0.000	1	126.9570	0.000	1	126.9570	0.000	1	129.4998	3.077	5	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[3x6]	P	4:4:	4:4:4:2:	4:2:4:4:	C[3x6]-4:P-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C-4:O-2:B-4:C-4:	O(C[3x6]C[6,6]3)(PBCC)	C[3x6](C[6,6]C[3x6]HH)3(OP)	P(CC[6a]HH)(OC[3x6])(BH3)(CC3)	O(C[3x6]C[6,6]3)(PBCC)	C[3x6](C[6,6]C[3x6]HH)3(OP){3|C<4>,3|H<1>}	P(CC[6a]HH)(OC[3x6])(BH3)(CC3)	131.4810	0.000	1	131.4810	0.000	1	131.4810	0.000	1	131.4810	0.000	1	129.4998	3.077	5	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:F-1:O-1:S-1:	O(C[6]C[6]2H)(PFOS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(OC[6])(F)(O)(S)	O(C[6]C[6]2H)(PFOS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(OC[6])(F)(O)(S)	123.0180	0.000	1	123.0180	0.000	1	123.0180	0.000	1	123.0180	0.000	1	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:S-1:S-1:	O(C[6]C[6]2H)(POSS)	C[6](C[6]C[6]HH)2(OP)(H)	P(OC[6])2(S)2	O(C[6]C[6]2H)(POSS)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	P(OC[6])2(S)2	121.5420	0.396	2	121.5420	0.157	2	121.5420	0.157	2	121.5420	0.157	2	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	2:2:2:1:	C[6]-4:P-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(C[6]C[5,6]2H)(PO3)	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H)	P(OC[6])(OC)2(O)	O(C[6]C[5,6]2H)(PO3)	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H){2|H<1>,2|O<2>,3|C<4>}	P(OC[6])(OC)2(O)	118.4535	0.496	2	118.4535	0.246	2	118.4535	0.246	2	120.3361	2.796	10	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	2:2:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(OC[5])(OC[6])2(O)	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(OC[5])(OC[6])2(O)	119.5240	0.812	2	119.5240	0.659	2	120.8067	2.294	8	120.3361	2.796	10	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	2:2:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(OC[5])2(OC[6])(O)	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(OC[5])2(OC[6])(O)	123.3390	0.000	1	123.3390	0.000	1	120.8067	2.294	8	120.3361	2.796	10	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	2:2:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H)	P(OC[6])(OC)2(O)	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H){1|C<4>,4|H<1>}	P(OC[6])(OC)2(O)	121.2500	0.000	1	121.2500	0.000	1	120.8067	2.294	8	120.3361	2.796	10	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	2:2:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]HH)2(OP)(H)	P(OC[5])(OC[6])2(O)	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	P(OC[5])(OC[6])2(O)	119.6340	0.412	2	119.6340	0.169	2	120.8067	2.294	8	120.3361	2.796	10	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	2:2:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]HO)2(OP)(H)	P(OC[6])(OC)2(O)	O(C[6]C[6]2H)(PO3)	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	P(OC[6])(OC)2(O)	121.7745	0.841	2	121.7745	0.707	2	120.8067	2.294	8	120.3361	2.796	10	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	2:2:4:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:C-4:S-1:	O(C[6]C[6]2H)(PCOS)	C[6](C[6]C[6]HH)2(OP)(H)	P(OC[6a])(OC[6])(CH3)(S)	O(C[6]C[6]2H)(PCOS)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	P(OC[6a])(OC[6])(CH3)(S)	121.1150	0.000	1	121.1150	0.000	1	121.1150	0.000	1	121.1150	0.000	1	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:N-1:O-1:	O(C[6]C[6]2H)(PC[6a]NO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(OC[6])(N)(O)	O(C[6]C[6]2H)(PC[6a]NO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(OC[6])(N)(O)	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	119.6100	8.050	3	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(C[6]C[6]2H)(PC[6a]OO)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H)	P(C[6a]C[6a]2)(OC[6])(O)2	O(C[6]C[6]2H)(PC[6a]OO)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H){2|C<3>,2|H<1>}	P(C[6a]C[6a]2)(OC[6])(O)2	117.2760	0.000	1	117.2760	0.000	1	117.2760	0.000	1	119.6100	8.050	3	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:S-1:S-1:	O(C[6]C[6]2H)(PC[6a]SS)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(OC[6])(S)2	O(C[6]C[6]2H)(PC[6a]SS)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H){1|C<3>,1|C<4>,2|H<1>}	P(C[6a]C[6a]2)(OC[6])(S)2	122.7680	0.000	1	122.7680	0.000	1	122.7680	0.000	1	119.6100	8.050	3	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:2:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:S-2:O-1:	O(C[6]C[6]2H)(PC[6a]OS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(OC[6])(SC)(O)	O(C[6]C[6]2H)(PC[6a]OS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(OC[6])(SC)(O)	122.0720	0.000	1	122.0720	0.000	1	122.4210	0.244	2	122.4210	0.244	2	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:2:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:S-2:O-1:	O(C[6]C[6]2H)(PC[6a]OS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(OC[6])(SS)(O)	O(C[6]C[6]2H)(PC[6a]OS)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(OC[6])(SS)(O)	122.7700	0.000	1	122.7700	0.000	1	122.4210	0.244	2	122.4210	0.244	2	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:2:3:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:N-3:O-1:	O(C[6]C[6]2H)(PC[6a]NO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(OC[6])(NCH)(O)	O(C[6]C[6]2H)(PC[6a]NO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(OC[6])(NCH)(O)	123.8900	0.000	1	123.8900	0.000	1	123.8900	0.000	1	123.8900	0.000	1	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:2:4:1:	C[6]-4:P-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:C-4:O-1:	O(C[6]C[6,6]C[6]H)(PC[6a]CO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	P(C[6a]C[6a]2)(OC[6])(CH3)(O)	O(C[6]C[6,6]C[6]H)(PC[6a]CO)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	P(C[6a]C[6a]2)(OC[6])(CH3)(O)	122.5960	0.000	1	122.5960	0.000	1	122.5960	0.000	1	121.2976	1.286	5	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:2:4:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:C-4:O-1:	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(OC[6])(CCCH)(O)	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(OC[6])(CCCH)(O)	120.0470	0.000	1	120.0470	0.000	1	120.9730	1.012	4	121.2976	1.286	5	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:2:4:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:C-4:O-1:	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(OC[6])(CCCO)(O)	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(OC[6])(CCCO)(O)	121.5900	1.150	2	121.5900	1.322	2	120.9730	1.012	4	121.2976	1.286	5	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:2:4:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:C-4:O-1:	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(OC[6])(CCHH)(O)	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(OC[6])(CCHH)(O)	120.6650	0.000	1	120.6650	0.000	1	120.9730	1.012	4	121.2976	1.286	5	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:3:2:1:	C[6]-4:P-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:O-1:	O(C[6]C[5,6]C[6]H)(PC[6a]2O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	P(C[6a]C[6a]2)2(OC[6])(O)	O(C[6]C[5,6]C[6]H)(PC[6a]2O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	P(C[6a]C[6a]2)2(OC[6])(O)	130.4270	4.610	2	130.4270	21.255	2	130.4270	21.255	2	124.6859	20.758	7	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:3:2:1:	C[6]-4:P-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:O-1:	O(C[6]C[6,6]C[6]H)(PC[6a]2O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	P(C[6a]C[6a]2)2(OC[6])(O)	O(C[6]C[6,6]C[6]H)(PC[6a]2O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	P(C[6a]C[6a]2)2(OC[6])(O)	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	124.6859	20.758	7	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:3:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C-3:O-2:O-1:	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(CC[6a]C)(OC[6])(O)	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(CC[6a]C)(OC[6])(O)	123.4530	1.616	2	123.4530	2.613	2	123.4530	2.613	2	124.6859	20.758	7	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:3:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:N-3:O-2:O-1:	O(C[6]C[6]2H)(PC[6a]NO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(NC[6]H)(OC[6])(O)	O(C[6]C[6]2H)(PC[6a]NO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(NC[6]H)(OC[6])(O)	123.2650	0.000	1	123.2650	0.000	1	121.7505	4.587	2	124.6859	20.758	7	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:3:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:N-3:O-2:O-1:	O(C[6]C[6]2H)(PC[6a]NO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(NC[6a]H)(OC[6])(O)	O(C[6]C[6]2H)(PC[6a]NO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(NC[6a]H)(OC[6])(O)	120.2360	0.000	1	120.2360	0.000	1	121.7505	4.587	2	124.6859	20.758	7	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:3:2:4:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:B-4:	O(C[6]C[6]2H)(PC[6a]2B)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OC[6])(BH3)	O(C[6]C[6]2H)(PC[6a]2B)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OC[6])(BH3)	121.2890	1.192	7	121.2890	1.421	7	121.2890	1.421	7	122.5396	7.224	9	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:3:2:4:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6]C[6]2H)(PC[6a]2C)	C[6](C[6]C[6]HO)2(OP)(H)	P(C[6a]C[6a]2)2(OC[6])(CH3)	O(C[6]C[6]2H)(PC[6a]2C)	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	P(C[6a]C[6a]2)2(OC[6])(CH3)	126.9165	0.052	2	126.9165	0.003	2	126.9165	0.003	2	122.5396	7.224	9	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:4:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C-4:O-2:O-1:	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(CC[6a]CO)(OC[6])(O)	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(CC[6a]CO)(OC[6])(O)	123.0500	0.000	1	123.0500	0.000	1	120.5366	2.121	5	120.3652	1.873	6	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:4:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C-4:O-2:O-1:	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(CC[6a]HH)(OC[6])(O)	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(OC[6])(O)	120.0400	0.436	3	120.0400	0.191	3	120.5366	2.121	5	120.3652	1.873	6	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:4:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C-4:O-2:O-1:	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(CC[6a]HN)(OC[6])(O)	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(CC[6a]HN)(OC[6])(O)	119.5130	0.000	1	119.5130	0.000	1	120.5366	2.121	5	120.3652	1.873	6	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:4:2:1:	P-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O-2:O-1:	O(PC[6a]C[6]O)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(OC[6])(O)	O(PC[6a]C[6]O)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)(OC[6])(O)	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	120.3652	1.873	6	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	3:5:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C-5:O-2:O-1:	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a]2)(CC[6a]CHO)(OC[6])(O)	O(C[6]C[6]2H)(PC[6a]CO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a]2)(CC[6a]CHO)(OC[6])(O)	121.6730	0.000	1	121.6730	0.000	1	121.6730	0.000	1	121.6730	0.000	1	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:C-2:O-1:	O(C[6]C[6]2H)(PCCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(CC[6a]HH)(OC[6])(CC)(O)	O(C[6]C[6]2H)(PCCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(CC[6a]HH)(OC[6])(CC)(O)	120.4600	0.000	1	120.4600	0.000	1	120.4600	0.000	1	121.3875	1.721	2	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	4:2:2:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O-2:O-2:O-1:	O(C[6]C[6]2H)(PC[5]OO)	C[6](C[6]C[6]HH)2(OP)(H)	P(C[5]C[5]2Fe)(OC[5])(OC[6])(O)	O(C[6]C[6]2H)(PC[5]OO)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	P(C[5]C[5]2Fe)(OC[5])(OC[6])(O)	122.3150	0.000	1	122.3150	0.000	1	122.3150	0.000	1	121.3875	1.721	2	121.7419	7.206	51	122.4345	11.758	56
893	466	992	0:SP3_SP3_SP3	O	C[6]	P	4:4:	4:4:2:1:	4:2:4:1:	C[6]-4:P-4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:C-4:O-1:	O(C[6]C[6]2H)(PCCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(CC[6a]HH)(OC[6])(CHHN)(O)	O(C[6]C[6]2H)(PCCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(CC[6a]HH)(OC[6])(CHHN)(O)	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	121.7419	7.206	51	122.4345	11.758	56
893	470	930	0:SP2_SP2_SPD5	O	As	C	5:3:	3:3:3:2:2:	4:2:1:	As-5:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:O-2:	C-4:O-2:O-1:	O(AsC[6a]3O)(CCO)	As(C[6a]C[6a]2)3(OC)2	C(CH3)(OAs)(O)	O(AsC[6a]3O)(CCO)	As(C[6a]C[6a]2)3(OC)2	C(CH3)(OAs)(O)	118.8140	1.007	2	118.8140	1.014	2	118.8140	1.014	2	118.8140	1.014	2	118.8140	1.014	2	118.8140	1.014	2
893	474	474	0:SP3_SP3_SP3	O	C[5,3x6]	C[5]	4:4:	4:4:4:2:	4:2:2:4:	C[5,3x6]-4:C[5]-4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:O-2:	C[5]-4:O-2:O[5]-2:C-4:	O(C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]O[5]C)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5])	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO)	O(C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]O[5]C)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)2(C[6,6]C[6,6]CC)(OC[5]){2|C<4>,2|O<1>,5|H<1>}	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO){1|H<1>,3|C<4>}	122.1540	0.000	1	122.1540	0.000	1	122.1540	0.000	1	122.1540	0.000	1	122.1540	0.000	1	117.6133	13.739	11
893	474	474	0:SP3_SP3_SP3	O	C[5,5]	C[5,5]	4:4:	4:4:2:1:	4:4:2:1:	C[5,5]-4:C[5,5]-4:	C[4,5,5,6,6]-4:C[4,5,5,6,6]-4:O-2:Cl-1:	C[4,5,5,6,6]-4:C[4,5,5,6,6]-4:O-2:Cl-1:	O(C[5,5]C[4,5,5,6,6]2Cl)2	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl)	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl)	O(C[5,5]C[4,5,5,6,6]2Cl)2	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl){2|C<4>,4|H<1>}	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl){2|C<4>,4|H<1>}	121.5310	0.000	1	121.5310	0.000	1	121.5310	0.000	1	121.5310	0.000	1	121.5310	0.000	1	117.6133	13.739	11
893	474	474	0:SP3_SP3_SP3	O	C[5,6]	C[5]	4:4:	3:4:2:2:	4:2:2:1:	C[5,6]-4:C[5]-4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[3,5]-4:O[5]-2:O-2:H-1:	O(C[5,6]C[5,6]C[6]O[5])(C[5]C[3,5]O[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5])	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H)	O(C[5,6]C[5,6]C[6]O[5])(C[5]C[3,5]O[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]HH)(O[5]C[5])(OC[5]){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H){1|O<2>,2|C<4>}	116.9800	0.000	1	116.9800	0.000	1	116.9800	0.000	1	116.9800	0.000	1	116.9800	0.000	1	117.6133	13.739	11
893	474	474	0:SP3_SP3_SP3	O	C[5]	C[5]	4:4:	3:2:2:1:	3:2:2:1:	C[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[5,6a]-3:O[5]-2:O-2:H-1:	O(C[5]C[5,6a]O[5]H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[5])(H)	O(C[5]C[5,6a]O[5]H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[5])(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[5])(H){1|H<1>,1|O<1>,2|C<3>}	115.9820	0.000	1	115.9820	0.000	1	115.9820	0.000	1	115.9820	0.000	1	116.6351	13.339	8	117.6133	13.739	11
893	474	474	0:SP3_SP3_SP3	O	C[5]	C[5]	4:4:	3:3:2:1:	3:3:2:1:	C[5]-4:C[5]-4:	N[5]-3:N[5]-3:O-2:H-1:	N[5]-3:N[5]-3:O-2:H-1:	O(C[5]N[5]2H)2	C[5](N[5]C[6a]C[5])2(OC[5])(H)	C[5](N[5]C[6a]C[5])2(OC[5])(H)	O(C[5]N[5]2H)2	C[5](N[5]C[6a]C[5])2(OC[5])(H){2|O<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2(OC[5])(H){2|O<1>,4|C<3>}	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	116.6351	13.339	8	117.6133	13.739	11
893	474	474	0:SP3_SP3_SP3	O	C[5]	C[5]	4:4:	3:3:2:1:	3:3:2:2:	C[5]-4:C[5]-4:	C[5,6]-3:C[5]-3:O-2:I-1:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	O(C[5]C[5,6]C[5]I)(C[5]C[5,6a]2O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OC)	O(C[5]C[5,6]C[5]I)(C[5]C[5,6a]2O)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])(I){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OC){1|C<4>,5|C<3>}	124.8270	0.000	1	124.8270	0.000	1	124.8270	0.000	1	124.8270	0.000	1	116.6351	13.339	8	117.6133	13.739	11
893	474	474	0:SP3_SP3_SP3	O	C[5]	C[5]	4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-2:H-1:	O(C[5]C[5]N[5]H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H)	O(C[5]C[5]N[5]H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H){2|C<3>,2|C<4>,2|H<1>}	114.8910	0.000	1	114.8910	0.000	1	114.8910	0.000	1	114.8910	0.000	1	116.6351	13.339	8	117.6133	13.739	11
893	474	474	0:SP3_SP3_SP3	O	C[5]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)2	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H)	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H)	O(C[5]C[5]O[5]H)2	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H){1|O<2>,3|C<4>}	C[5](C[5]C[3x5]HH)(O[5]C[3x5])(OC[5])(H){1|O<2>,3|C<4>}	118.0810	0.000	1	118.0810	0.000	1	116.5585	4.636	2	116.5585	4.636	2	116.6351	13.339	8	117.6133	13.739	11
893	474	474	0:SP3_SP3_SP3	O	C[5]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)2	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H)	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H)	O(C[5]C[5]O[5]H)2	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(O[5]C[5])(OC[5])(H){2|C<3>,2|H<1>}	115.0360	0.000	1	115.0360	0.000	1	116.5585	4.636	2	116.5585	4.636	2	116.6351	13.339	8	117.6133	13.739	11
893	474	474	0:SP3_SP3_SP3	O	C[5]	C[5]	4:4:	4:2:2:1:	4:4:2:1:	C[5]-4:C[5]-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O(C[5]C[5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H)	O(C[5]C[5]O[5]H)(C[5]C[5]2H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[5])(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[5])(H){1|H<1>,2|C<3>}	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	116.6351	13.339	8	117.6133	13.739	11
893	474	474	0:SP3_SP3_SP3	O	C[5]	C[5]	4:4:	4:4:2:1:	4:2:2:4:	C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	O(C[5]C[5,5]C[5]H)(C[5]C[5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H)	C[5](C[5]O[5]CC)(O[5]C[5])(OC[5])(CH3)	O(C[5]C[5,5]C[5]H)(C[5]C[5]O[5]C)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[5])(H){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]O[5]CC)(O[5]C[5])(OC[5])(CH3){1|O<1>}	115.5420	0.000	1	115.5420	0.000	1	115.5420	0.000	1	115.5420	0.000	1	116.6351	13.339	8	117.6133	13.739	11
893	474	478	0:SP3_SP3_SP3	O	C[5]	C[4,5]	4:4:	2:2:2:1:	4:3:2:2:	C[4,5]-4:C[5]-4:	N[5]-2:O[5]-2:O-2:H-1:	C[4,5]-4:N[5]-3:O[4]-2:O-2:	O(C[4,5]C[4,5]N[5]O[4])(C[5]N[5]O[5]H)	C[5](N[5]C[5])(O[5]C[5])(OC[4,5])(H)	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(OC[5])	O(C[4,5]C[4,5]N[5]O[4])(C[5]N[5]O[5]H)	C[5](N[5]C[5])(O[5]C[5])(OC[4,5])(H){1|C<3>,1|H<1>,1|O<2>}	C[4,5](C[4,5]C[5,6a]C[4,5]O)(N[5]C[5,6a]C)(O[4]C[4,5])(OC[5]){4|C<3>}	116.9600	0.000	1	116.9600	0.000	1	116.9600	0.000	1	116.9600	0.000	1	116.9950	0.002	2	116.9950	0.002	2
893	474	478	0:SP3_SP3_SP3	O	C[5]	C[4,5]	4:4:	3:2:2:1:	4:3:4:2:	C[4,5]-4:C[5]-4:	C[5]-3:O[5]-2:O-2:H-1:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:O-2:	O(C[4,5]C[5,6a]C[4,5]2)(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H)	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]O)(OC[5])	O(C[4,5]C[5,6a]C[4,5]2)(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[4,5])(H){1|H<1>,1|O<2>,2|C<3>}	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[5,6a]C[5,6a]C[6a])(C[4,5]N[5]O[4]O)(OC[5]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	117.0300	0.000	1	117.0300	0.000	1	117.0300	0.000	1	117.0300	0.000	1	116.9950	0.002	2	116.9950	0.002	2
893	474	490	0:SP3_SP3_SP3	O	C[3x5]	C	4:4:	4:4:4:2:	2:1:1:1:	C[3x5]-4:C-4:	C[4x5]-4:C[5,5]-4:C[5,5]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[3x5]C[4x5]C[5,5]2)(CH3)	C[3x5](C[4x5]C[5,5]3)(C[5,5]C[5]2H)2(OC)	C(OC[3x5])(H)3	O(C[3x5]C[4x5]C[5,5]2)(CH3)	C[3x5](C[4x5]C[5,5]3)(C[5,5]C[5]2H)2(OC){2|C<4>,2|O<2>,9|H<1>}	C(OC[3x5])(H)3	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,3x6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[5,3x6]-4:C-4:	C[5,5,6,6]-4:C[5,3x6]-4:C[5,6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])(CH3)	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)	C(OC[5,3x6])(H)3	O(C[5,3x6]C[5,5,6,6]C[5,3x6]C[5,6])(CH3)	C[5,3x6](C[5,5,6,6]C[3x5,6]C[5,6]C[6a])(C[5,3x6]C[5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C(OC[5,3x6])(H)3	116.1990	0.291	4	116.1990	0.085	4	116.1990	0.085	4	116.1990	0.085	4	116.1990	0.085	4	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5,6,6]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6,6]C[5,6,6]2O[5,5])(CH3)	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC)	C(OC[5,5,6,6])(H)3	O(C[5,5,6,6]C[5,6,6]2O[5,5])(CH3)	C[5,5,6,6](C[5,6,6]C[4,5,6,6]C[6a]O)(C[5,6,6]C[4,5,6,6]HO)(O[5,5]C[4,5,5,6])(OC){1|O<2>,2|H<1>,3|C<3>}	C(OC[5,5,6,6])(H)3	116.0090	0.000	1	116.0090	0.000	1	116.0090	0.000	1	116.0090	0.000	1	116.0090	0.000	1	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	3:2:3:2:	2:1:1:1:	C[5,5,6]-4:C-4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6]C[5,6]2O[5,5])(CH3)	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,6]2O[5,5])(CH3)	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC){2|C<4>,4|C<3>}	C(OC[5,5,6])(H)3	113.7770	0.000	1	113.7770	0.000	1	113.7770	0.000	1	113.7770	0.000	1	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	4:2:3:2:	2:1:1:1:	C[5,5,6]-4:C-4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(CH3)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(CH3)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C(OC[5,5,6])(H)3	114.2090	0.533	2	114.2090	0.284	2	114.2090	0.284	2	113.9670	0.318	3	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	4:2:3:2:	2:1:1:1:	C[5,5,6]-4:C-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C(OC[5,5,6])(H)3	113.4830	0.000	1	113.4830	0.000	1	113.4830	0.000	1	113.9670	0.318	3	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	4:3:3:2:	2:1:1:1:	C[5,5,6]-4:C-4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[3x5,6]Cl2)(C[5,6]C[5,5,6]H)(C[5,6]C[5,6]C)(OC){2|C<4>,2|H<1>}	C(OC[5,5,6])(H)3	117.6050	0.000	1	117.6050	0.000	1	117.6050	0.000	1	117.6050	0.000	1	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	4:3:4:2:	2:1:1:1:	C[5,5,6]-4:C-4:	C[5,5]-4:C[5,6]-3:C[5,6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]CH)(OC){1|H<1>,1|O<1>,2|C<4>}	C(OC[5,5,6])(H)3	115.4845	0.791	8	115.4845	0.626	8	115.4845	0.626	8	115.4845	0.626	8	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5,6]-4:C-4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(CH3)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(CH3)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,3|H<1>}	C(OC[5,5,6])(H)3	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1	114.3915	0.262	6	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5,6]-4:C-4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(OC[5,5,6])(H)3	114.8780	0.000	1	114.3352	0.303	5	114.3352	0.303	5	114.3915	0.262	6	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5,6]-4:C-4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C(OC[5,5,6])(H)3	113.4230	0.000	1	114.3352	0.303	5	114.3352	0.303	5	114.3915	0.262	6	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5,6]-4:C-4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<1>,4|C<4>,7|H<1>}	C(OC[5,5,6])(H)3	114.5065	0.165	2	114.3352	0.303	5	114.3352	0.303	5	114.3915	0.262	6	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5,6]-4:C-4:	C[5,5,6,6]-4:C[5,6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5,6,6]C[5,6]O[5])(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(OC){1|O<2>,4|C<4>,7|H<1>}	C(OC[5,5,6])(H)3	114.3620	0.000	1	114.3352	0.303	5	114.3352	0.303	5	114.3915	0.262	6	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[5,5,6]-4:C-4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6]C[3,5,6]C[5,5]C[5,6])(CH3)	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[3,5,6]C[5,5]C[5,6])(CH3)	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC){3|Cl<1>,2|C<4>,3|H<1>}	C(OC[5,5,6])(H)3	113.4145	0.030	2	113.4145	0.001	2	113.4145	0.001	2	114.3390	2.565	3	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[5,5,6]-4:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HS)(C[5,6]O[5,6]O)(OC)	C(OC[5,5,6])(H)3	O(C[5,5,6]C[5,5]C[5,6]2)(CH3)	C[5,5,6](C[5,5]C[5,5,6,6]CC)(C[5,6]C[5,6,6]HS)(C[5,6]O[5,6]O)(OC){3|C<4>}	C(OC[5,5,6])(H)3	116.1880	0.000	1	116.1880	0.000	1	116.1880	0.000	1	114.3390	2.565	3	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5,6]	C	4:4:	4:4:4:2:	3:2:1:1:	C[5,5,6]-4:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[5,5,6]C[5,5]C[5,6]2)(CC[6a]HH)	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC)	C(C[6a]C[6a]2)(OC[5,5,6])(H)2	O(C[5,5,6]C[5,5]C[5,6]2)(CC[6a]HH)	C[5,5,6](C[5,5]C[5]O[5]C)(C[5,6]C[6]O[5]H)(C[5,6]C[5,6]HO)(OC){1|O<2>,5|H<1>}	C(C[6a]C[6a]2)(OC[5,5,6])(H)2	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	114.8480	1.265	23	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	3:2:4:2:	2:4:1:1:	C[5,5]-4:C-4:	C[5,5]-3:O[5]-2:C[5]-4:O-2:	O-2:C-4:H-1:H-1:	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC)	C(OC[5,5])(CH3)(H)2	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C[5,5](C[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HO)(OC){1|H<1>,4|C<3>}	C(OC[5,5])(CH3)(H)2	117.3100	0.000	1	117.3100	0.000	1	117.3100	0.000	1	117.3100	0.000	1	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	3:3:2:2:	2:4:1:1:	C[5,5]-4:C-4:	N[5]-3:C[5,5]-3:O[5]-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5,5]C[5,5]N[5]O[5])(CCHH)	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC)	C(OC[5,5])(CH3)(H)2	O(C[5,5]C[5,5]N[5]O[5])(CCHH)	C[5,5](N[5]C[5]C[6])(C[5,5]C[5]2)(O[5]C[5,5])(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C(OC[5,5])(CH3)(H)2	117.3530	0.000	1	117.3530	0.000	1	117.3530	0.000	1	117.3530	0.000	1	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	3:3:4:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,6a]2C[3x5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(OC)	C(OC[5,5])(H)3	O(C[5,5]C[5,6a]2C[3x5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(OC){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C(OC[5,5])(H)3	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	3:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,6a]-3:C[3x5]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,6a]C[3x5]O[5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(OC)	C(OC[5,5])(H)3	O(C[5,5]C[5,6a]C[3x5]O[5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(O[5]C[5])(OC){2|H<1>,2|O<2>,5|C<3>}	C(OC[5,5])(H)3	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	116.5740	1.404	3	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	3:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,6a]C[5,5]O[5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O)(O[5]C[5])(OC)	C(OC[5,5])(H)3	O(C[5,5]C[5,6a]C[5,5]O[5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O)(O[5]C[5])(OC){1|C<4>,3|C<3>,5|H<1>}	C(OC[5,5])(H)3	115.9045	0.344	2	115.9045	0.119	2	115.9045	0.119	2	116.5740	1.404	3	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	3:4:3:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[3,5,5]C[5,6a]C[5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC)	C(OC[5,5])(H)3	O(C[5,5]C[3,5,5]C[5,6a]C[5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC){3|C<3>,3|H<1>}	C(OC[5,5])(H)3	114.4280	0.000	1	114.4280	0.000	1	114.4280	0.000	1	114.4280	0.000	1	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	3:4:4:2:	2:1:1:1:	C[5,5]-4:C-4:	O[3x5]-3:C[5]-4:C[5]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]O[3x5]C[5]2)(CH3)	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(OC)	C(OC[5,5])(H)3	O(C[5,5]O[3x5]C[5]2)(CH3)	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(OC){2|C<4>,6|H<1>}	C(OC[5,5])(H)3	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	3:4:4:2:	2:4:1:1:	C[5,5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5,5]-4:O-2:	O-2:C-4:H-1:H-1:	O(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC)	C(OC[5,5])(CH3)(H)2	O(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(OC){1|S<4>,4|C<3>,4|H<1>}	C(OC[5,5])(CH3)(H)2	116.0550	0.000	1	116.0550	0.000	1	116.0550	0.000	1	116.0550	0.000	1	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:3:3:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5]-4:N[5,5]-3:C[5]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5]N[5,5]C[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]N[5])(C[5]N[5]O)(OC)	C(OC[5,5])(H)3	O(C[5,5]C[5,5]N[5,5]C[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]N[5])(C[5]N[5]O)(OC){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	C(OC[5,5])(H)3	114.7580	0.703	2	114.7580	0.494	2	114.7580	0.494	2	114.1623	0.639	4	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:3:3:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,6]-4:N[5,5]-3:C[5]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,6]N[5,5]C[5])(CH3)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OC)	C(OC[5,5])(H)3	O(C[5,5]C[5,6]N[5,5]C[5])(CH3)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OC){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(OC[5,5])(H)3	113.5665	0.047	2	113.5665	0.002	2	113.5665	0.002	2	114.1623	0.639	4	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2H)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2H)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|C<4>,1|O<2>,6|H<1>}	C(OC[5,5])(H)3	113.2350	0.000	1	113.2350	0.000	1	112.5950	0.710	3	112.5950	0.710	3	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2H)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H)	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2H)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(OC[5,5])(H)3	112.2750	0.898	2	112.2750	0.806	2	112.5950	0.710	3	112.5950	0.710	3	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:1:	2:4:4:4:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5,5]C[5,5,6]2H)(CC3)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H)	C(OC[5,5])(CH3)3	O(C[5,5]C[5,5,6]2H)(CC3)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OC)(H){2|C<3>,2|H<1>}	C(OC[5,5])(CH3)3	116.0620	0.000	1	116.0620	0.000	1	116.7117	0.658	3	116.7117	0.658	3	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:1:	2:4:4:4:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5,5]C[5,5,6]2H)(CC3)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C(OC[5,5])(CH3)3	O(C[5,5]C[5,5,6]2H)(CC3)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|O<2>,5|H<1>}	C(OC[5,5])(CH3)3	116.4520	0.000	1	117.0365	0.683	2	116.7117	0.658	3	116.7117	0.658	3	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:1:	2:4:4:4:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5,5]C[5,5,6]2H)(CC3)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C(OC[5,5])(CH3)3	O(C[5,5]C[5,5,6]2H)(CC3)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){1|S<4>,3|H<1>}	C(OC[5,5])(CH3)3	117.6210	0.000	1	117.0365	0.683	2	116.7117	0.658	3	116.7117	0.658	3	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:1:	3:3:2:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:H-1:	O(C[5,5]C[5,5,6]2H)(CC[6a]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OC)(H)	C(C[6a]C[6a]2)2(OC[5,5])(H)	O(C[5,5]C[5,5,6]2H)(CC[6a]2H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OC)(H){1|O<1>,3|H<1>}	C(C[6a]C[6a]2)2(OC[5,5])(H)	114.3140	0.000	1	114.3140	0.000	1	114.3140	0.000	1	114.3140	0.000	1	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[3x5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[3x5,6]C[5,5,6]O)(CH3)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]Br)(C[5,5,6]C[4,5,6]C[5,6]Br)(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[3x5,6]C[5,5,6]O)(CH3)	C[5,5](C[3x5,6]C[4,5,5,6]C[5,5,6]Br)(C[5,5,6]C[4,5,6]C[5,6]Br)(OC)2{2|C<4>,3|H<1>,3|O<2>}	C(OC[5,5])(H)3	117.7310	0.467	2	117.7310	0.218	2	117.7310	0.218	2	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]Cl)2(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,3x6]C[5,6]Cl)2(OC)2{2|Cl<1>,2|C<4>,2|H<1>}	C(OC[5,5])(H)3	117.8265	0.499	4	117.8265	0.249	4	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]Cl)2(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]Cl)2(OC)2{2|Cl<1>,2|C<4>,2|H<1>}	C(OC[5,5])(H)3	117.2120	0.216	2	117.2120	0.047	2	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,6,6]C[5,6]Cl)(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,5,6]C[5,6,6]C[5,6]Cl)(OC)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(OC[5,5])(H)3	116.5780	0.695	8	116.5780	0.484	8	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]2Br)(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Br)(C[5,5,6]C[5,5,6]2Br)(OC)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(OC[5,5])(H)3	116.2340	0.308	4	116.2340	0.095	4	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,5,6]2Cl)(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,5,6]2Cl)(OC)2{1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C(OC[5,5])(H)3	117.3245	0.333	4	117.3245	0.111	4	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,6]2Cl)(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,6]2Cl)(OC)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(OC[5,5])(H)3	116.8120	0.527	4	116.3803	0.347	8	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,6]2Cl)(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)(C[5,5,6]C[5,6]2Cl)(OC)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C(OC[5,5])(H)3	115.9485	0.188	4	116.3803	0.347	8	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(OC)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C(OC[5,5])(H)3	116.3885	0.217	2	116.8220	0.130	6	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]Cl)2(OC)2{2|Cl<1>,2|C<3>,2|H<1>}	C(OC[5,5])(H)3	117.0388	0.117	4	116.8220	0.130	6	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]Cl)2(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]Cl)2(OC)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C(OC[5,5])(H)3	116.8333	0.443	3	116.8144	0.107	5	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]Cl)2(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]Cl)2(OC)2{2|Cl<1>,2|C<4>,2|H<1>}	C(OC[5,5])(H)3	116.7860	0.182	2	116.8144	0.107	5	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)2(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]Cl)2(OC)2{2|C<4>,2|H<1>,2|N<2>}	C(OC[5,5])(H)3	116.8619	0.634	8	116.8619	0.402	8	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6]2Cl)2(OC)2	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]2O)(CH3)	C[5,5](C[5,5,6]C[5,6]2Cl)2(OC)2{2|Cl<1>,2|C<4>,2|H<1>}	C(OC[5,5])(H)3	117.7323	0.789	4	117.7323	0.622	4	116.8766	0.479	53	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5,6]C[5]O[5])(CH3)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OC)	C(OC[5,5])(H)3	O(C[5,5]C[5,5,6]C[5]O[5])(CH3)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OC){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C(OC[5,5])(H)3	113.7980	0.000	1	113.7980	0.000	1	113.7980	0.000	1	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5,6])(OC)	C(OC[5,5])(H)3	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5,6])(OC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C(OC[5,5])(H)3	113.8180	0.000	1	113.8180	0.000	1	114.7638	3.415	4	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC)	C(OC[5,5])(H)3	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OC){6|H<1>}	C(OC[5,5])(H)3	116.1720	0.000	1	116.1720	0.000	1	114.7638	3.415	4	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OC)	C(OC[5,5])(H)3	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(OC[5,5])(H)3	112.6270	0.000	1	112.6270	0.000	1	114.7638	3.415	4	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(OC)	C(OC[5,5])(H)3	O(C[5,5]C[5,5]C[5]O[5])(CH3)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(OC){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(OC[5,5])(H)3	116.4380	0.000	1	116.4380	0.000	1	114.7638	3.415	4	116.7129	1.061	60	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:4:1:1:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CC)(O[5]C[5])(OC)	C(OC[5,5])(CH3)(H)2	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]CC)(O[5]C[5])(OC){1|S<4>,2|C<3>,4|H<1>}	C(OC[5,5])(CH3)(H)2	119.0950	0.000	1	119.0950	0.000	1	116.1680	6.473	3	116.1680	6.473	3	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:2:2:	2:4:1:1:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC)	C(OC[5,5])(CH3)(H)2	O(C[5,5]C[5,5]C[5]O[5])(CCHH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(OC[5,5])(CH3)(H)2	114.7045	0.309	2	114.7045	0.095	2	116.1680	6.473	3	116.1680	6.473	3	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:4:2:	2:1:1:1:	C[5,5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,5]C[5,5]2C[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C(OC[5,5])(H)3	O(C[5,5]C[5,5]2C[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<2>,2|C<4>,7|H<1>}	C(OC[5,5])(H)3	115.4590	0.000	1	115.4590	0.000	1	115.4590	0.000	1	115.4590	0.000	1	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,5]	C	4:4:	4:4:4:2:	3:2:1:1:	C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[5,5]C[5,5]C[5]2)(CC[6a]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC)	C(C[6a]C[6a]2)(OC[5,5])(H)2	O(C[5,5]C[5,5]C[5]2)(CC[6a]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OC){1|N<3>,1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(OC[5,5])(H)2	116.8710	1.793	2	116.8710	3.216	2	116.8710	3.216	2	116.8710	3.216	2	116.3857	2.004	86	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[5,6,6]-4:C-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6,6]C[5,6,6]3)(CH3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,6,6]3)(CH3)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C(OC[5,6,6])(H)3	114.2660	3.272	2	114.2660	10.709	2	114.2660	10.709	2	114.3392	2.229	6	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C(OC[5,6,6])(H)3	114.3758	0.375	4	114.3758	0.141	4	114.3758	0.141	4	114.3392	2.229	6	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	3:3:3:2:	2:4:1:1:	C[5,6,6]-4:C-4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:O-2:	O-2:C-4:H-1:H-1:	O(C[5,6,6]C[5,6,6]3)(CCHH)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC)	C(OC[5,6,6])(CFHH)(H)2	O(C[5,6,6]C[5,6,6]3)(CCHH)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(OC){2|O<2>,3|C<4>,5|C<3>}	C(OC[5,6,6])(CFHH)(H)2	116.0145	1.674	2	116.0145	2.801	2	116.0145	2.801	2	115.5890	1.187	4	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	3:3:3:2:	2:4:1:1:	C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	O-2:C-4:H-1:H-1:	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCHH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C(OC[5,6,6])(CFHH)(H)2	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCHH)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C(OC[5,6,6])(CFHH)(H)2	115.1635	0.189	2	115.1635	0.036	2	115.1635	0.036	2	115.5890	1.187	4	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	3:3:4:2:	2:1:1:1:	C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(OC)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(OC){8|C<3>}	C(OC[5,6,6])(H)3	116.3990	0.000	1	116.3990	0.000	1	116.0443	0.090	4	116.0443	0.090	4	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	3:3:4:2:	2:1:1:1:	C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CH3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC){8|C<3>}	C(OC[5,6,6])(H)3	115.9260	0.227	3	115.9260	0.051	3	116.0443	0.090	4	116.0443	0.090	4	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[5,6,6]-4:C-4:	C[5,3x6]-4:C[6,6]-3:N[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6,6]C[5,3x6]C[6,6]N[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,3x6]C[6,6]N[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC){2|C<3>,2|C<4>,3|H<1>}	C(OC[5,6,6])(H)3	115.0553	0.268	4	115.0553	0.072	4	115.0553	0.072	4	115.2760	0.262	6	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[5,6,6]-4:C-4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(OC[5,6,6])(H)3	116.2230	0.000	1	116.2230	0.000	1	115.7175	0.511	2	115.2760	0.262	6	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[5,6,6]-4:C-4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(OC[5,6,6])(H)3	115.2120	0.000	1	115.2120	0.000	1	115.7175	0.511	2	115.2760	0.262	6	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	4:3:2:2:	3:2:4:1:	C[5,6,6]-4:C-4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[6a]-3:O-2:C-4:H-1:	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<3>,1|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	117.3690	0.000	1	117.3690	0.000	1	117.3690	0.000	1	117.3690	0.000	1	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6,6]-4:C-4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5])(OC)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(O[5]C[5])(OC){2|C<3>,2|C<4>,6|H<1>}	C(OC[5,6,6])(H)3	114.6040	0.037	2	114.6040	0.001	2	114.6040	0.001	2	114.3997	0.126	3	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6,6]-4:C-4:	C[5,5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6,6]C[5,5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HO)(O[5]C[5])(OC)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]C)(C[6,6]C[3x6]HO)(O[5]C[5])(OC){4|C<4>,4|H<1>}	C(OC[5,6,6])(H)3	113.9910	0.000	1	113.9910	0.000	1	113.9910	0.000	1	114.3997	0.126	3	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[5,6,6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[5,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6,6]C[5,6]2C[6,6])(CH3)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC)	C(OC[5,6,6])(H)3	O(C[5,6,6]C[5,6]2C[6,6])(CH3)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,5,6]O)(OC){1|C<3>,3|C<4>,4|H<1>}	C(OC[5,6,6])(H)3	117.3650	0.000	1	117.3650	0.000	1	117.3650	0.000	1	117.3650	0.000	1	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	4:4:3:2:	2:4:4:4:	C[5,6,6]-4:C-4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[5,6,6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[5,6,6]C[3,5,6,6]2C[5,6,6a])(CC3)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,5,6,6]C[5,6,6a]C[3,3x6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(OC)	C(OC[5,6,6])(CH3)3	O(C[5,6,6]C[3,5,6,6]2C[5,6,6a])(CC3)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,5,6,6]C[5,6,6a]C[3,3x6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(OC){2|C<4>,6|C<3>}	C(OC[5,6,6])(CH3)3	124.9510	0.000	1	124.9510	0.000	1	124.9510	0.000	1	124.9510	0.000	1	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6,6]	C	4:4:	4:4:4:2:	2:2:1:1:	C[5,6,6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:O-2:H-1:H-1:	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHHO)	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC)	C(OC[5,6,6])(OC)(H)2	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHHO)	C[5,6,6](C[5,6,6]C[3x5]C[6]O[6])(C[5,6]C[3x5]C[6]C)(C[6]C[6]HH)(OC){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C(OC[5,6,6])(OC)(H)2	120.5510	0.000	1	120.5510	0.000	1	120.5510	0.000	1	120.5510	0.000	1	115.8392	5.711	27	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	2:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]O[5,6]C[6]O[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]O[5,6]C[6]O[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]C[5])(OC){2|C<4>,4|H<1>}	C(OC[5,6])(H)3	114.5820	0.354	2	114.5820	0.125	2	114.5700	0.068	5	114.5700	0.068	5	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	2:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	O[5,6]-2:C[6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]O[5,6]C[6]O[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]O[5,6]C[6]O[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]C[5])(OC){1|C<4>,5|H<1>}	C(OC[5,6])(H)3	114.5620	0.271	3	114.5620	0.073	3	114.5700	0.068	5	114.5700	0.068	5	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	2:4:3:2:	2:1:1:1:	C[5,6]-4:C-4:	O[5,6]-2:C[6]-4:N[5]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]O[5,6]C[6]N[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(N[5]C[5]C)(OC)	C(OC[5,6])(H)3	O(C[5,6]O[5,6]C[6]N[5])(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(N[5]C[5]C)(OC){1|C<4>,1|N<3>,3|H<1>}	C(OC[5,6])(H)3	116.2360	0.081	2	116.2360	0.006	2	116.2360	0.006	2	116.2360	0.006	2	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:2:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[6,6a]-3:O[5,6]-2:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[6,6a]O[5,6]O[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[6,6a]O[5,6]O[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC){1|C<4>,2|H<1>,4|C<3>}	C(OC[5,6])(H)3	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:3:2:2:	2:4:1:1:	C[5,6]-4:C-4:	C[5,6]-3:N[5]-3:O[6]-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5,6]C[5,6]N[5]O[6])(CCHH)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(OC)	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,6]N[5]O[6])(CCHH)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(OC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(OC[5,6])(CH3)(H)2	115.0070	0.360	3	115.0070	0.130	3	115.0070	0.130	3	115.0070	0.130	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6a]C[5,6]2)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6a]C[5,6]2)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(OC){1|C<4>,1|H<1>,1|O<2>,8|C<3>}	C(OC[5,6])(H)3	113.8625	0.465	2	113.8625	0.216	2	113.8625	0.216	2	114.2153	0.481	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6a]-3:N[5,6]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6a]N[5,6]C[6])(CH3)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5]C[6])(C[6]C[6]O)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6a]N[5,6]C[6])(CH3)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5]C[6])(C[6]C[6]O)(OC){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C(OC[5,6])(H)3	114.9210	0.000	1	114.9210	0.000	1	114.9210	0.000	1	114.2153	0.481	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:3:4:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6,6a]-3:C[6,6]-3:C[5]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6,6a]C[6,6]C[5])(CH3)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6a]C[6,6]C[5])(CH3)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC){1|C<4>,2|O<2>,6|C<3>}	C(OC[5,6])(H)3	117.8480	0.000	1	117.8480	0.000	1	117.8480	0.000	1	117.8480	0.000	1	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:3:4:2:	2:4:1:1:	C[5,6]-4:C-4:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	O-2:C-4:H-1:H-1:	O(C[5,6]N[5,6]C[5]C[6])(CCHH)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC)	C(OC[5,6])(CH3)(H)2	O(C[5,6]N[5,6]C[5]C[6])(CCHH)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C(OC[5,6])(CH3)(H)2	114.8700	0.000	1	114.8700	0.000	1	114.8700	0.000	1	114.8700	0.000	1	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){2|O<2>,3|C<4>,3|H<1>}	C(OC[5,6])(H)3	115.6565	0.569	2	115.6565	0.324	2	115.5493	0.196	3	115.5493	0.196	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC){1|C<3>,5|H<1>}	C(OC[5,6])(H)3	115.3350	0.000	1	115.3350	0.000	1	115.5493	0.196	3	115.5493	0.196	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:4:2:2:	2:4:1:1:	C[5,6]-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(OC[5,6])(CH3)(H)2	116.9470	0.000	1	116.9470	0.000	1	116.0925	1.460	2	116.0777	0.731	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:4:2:2:	2:4:1:1:	C[5,6]-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC)	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,6]C[6]O[5])(CCHH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OC){1|O<1>,3|C<4>,3|H<1>}	C(OC[5,6])(CH3)(H)2	115.2380	0.000	1	115.2380	0.000	1	116.0925	1.460	2	116.0777	0.731	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:4:2:2:	2:4:1:1:	C[5,6]-4:C-4:	C[5,6]-3:C[6]-4:S[5]-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5,6]C[5,6]C[6]S[5])(CCHH)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC)	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,6]C[6]S[5])(CCHH)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]O[6]O)(S[5]N[5])(OC){5|C<3>}	C(OC[5,6])(CH3)(H)2	116.0480	0.000	1	116.0480	0.000	1	116.0480	0.000	1	116.0777	0.731	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:4:2:2:	3:2:1:1:	C[5,6]-4:C-4:	C[5,6,6a]-3:C[6]-4:O[5]-2:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[5,6]C[5,6,6a]C[6]O[5])(CC[6a]HH)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(OC)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6,6a]C[6]O[5])(CC[6a]HH)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(O[5]C[5])(OC){2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[5,6])(H)2	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:4:3:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-3:C[5]-4:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C(OC[5,6])(H)3	115.9570	0.000	1	115.9570	0.000	1	115.9570	0.000	1	116.2333	0.125	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:4:3:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6a]C[5,6]C[6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6a]C[5,6]C[6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC){1|C<4>,3|C<3>,5|H<1>}	C(OC[5,6])(H)3	116.6310	0.000	1	116.6310	0.000	1	116.6310	0.000	1	116.2333	0.125	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:4:3:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6a]-3:C[6,6]-4:N[5,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6a]C[6,6]N[5,6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[5,6]C[6]S[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6a]C[6,6]N[5,6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[5,6]C[6]S[5])(OC){1|O<2>,2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C(OC[5,6])(H)3	116.1120	0.000	1	116.1120	0.000	1	116.1120	0.000	1	116.2333	0.125	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:4:4:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(OC[5,6])(H)3	115.9380	0.045	2	115.9380	0.002	2	115.9380	0.002	2	115.7313	1.369	4	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:4:4:2:	2:1:1:1:	C[5,6]-4:C-4:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[6,6a]C[5,6]2)(CH3)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[6,6a]C[5,6]2)(CH3)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C(OC[5,6])(H)3	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	115.7313	1.369	4	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	3:4:4:2:	2:1:1:1:	C[5,6]-4:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[6,6a]C[5,6]C[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[6,6a]C[5,6]C[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]H)(OC){1|C<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C(OC[5,6])(H)3	116.9270	0.000	1	116.9270	0.000	1	116.9270	0.000	1	115.7313	1.369	4	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:2:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[4,5,6]-4:O[5]-2:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[4,5,6]O[5]O[6])(CH3)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[4,5,6]O[5]O[6])(CH3)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC){1|C<3>,3|C<4>,4|H<1>}	C(OC[5,6])(H)3	115.1610	0.642	2	115.1610	0.412	2	115.1610	0.412	2	115.1610	0.412	2	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC){2|C<4>,3|C<3>,3|H<1>}	C(OC[5,6])(H)3	114.6820	0.000	1	114.6820	0.000	1	115.2387	0.285	3	115.2387	0.285	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC){1|C<4>,3|C<3>,4|H<1>}	C(OC[5,6])(H)3	115.7470	0.000	1	115.7470	0.000	1	115.2387	0.285	3	115.2387	0.285	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC){3|H<1>,6|C<4>}	C(OC[5,6])(H)3	115.2870	0.000	1	115.2870	0.000	1	115.2387	0.285	3	115.2387	0.285	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:3:3:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[6,6a]C[5])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)(OC){2|H<1>,5|C<3>}	C(OC[5,6])(H)3	118.5190	0.525	3	118.5190	0.276	3	118.5190	0.276	3	118.5190	0.276	3	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:3:4:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(C[6]C[6]HH)(OC){1|C<4>,2|C<3>,4|H<1>}	C(OC[5,6])(H)3	116.0640	0.000	1	116.0640	0.000	1	116.0640	0.000	1	116.0640	0.000	1	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:3:4:2:	3:2:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-3:C[5]-4:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[5,6]C[5,6,6]C[5]C[6])(CC[6a]HH)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6,6]C[5]C[6])(CC[6a]HH)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[5,6])(H)2	118.1185	0.721	2	118.1185	0.519	2	118.1185	0.519	2	118.1185	0.519	2	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,5,6]2H)(CH3)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]2H)(CH3)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]O[5]O)(OC)(H){2|H<1>,3|C<4>}	C(OC[5,6])(H)3	112.4180	0.000	1	112.4180	0.000	1	112.4180	0.000	1	113.6483	2.286	18	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]PdH)(OC)(H)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]PdH)(OC)(H){2|C<4>,4|H<1>}	C(OC[5,6])(H)3	117.0140	0.000	1	117.0140	0.000	1	114.3887	2.590	9	113.6483	2.286	18	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C(OC[5,6])(H)3	113.4633	1.369	4	113.4633	1.875	4	114.3887	2.590	9	113.6483	2.286	18	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H){3|C<4>,3|H<1>}	C(OC[5,6])(H)3	114.9740	1.281	3	114.9740	1.642	3	114.3887	2.590	9	113.6483	2.286	18	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[5,6]H)(CH3)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|O<2>}	C(OC[5,6])(H)3	113.7090	0.000	1	113.7090	0.000	1	114.3887	2.590	9	113.6483	2.286	18	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C(OC[5,6])(H)3	111.7035	0.163	2	111.8187	0.053	3	112.8377	1.293	6	113.6483	2.286	18	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5]C[6]H)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	C(OC[5,6])(H)3	112.0490	0.000	1	111.8187	0.053	3	112.8377	1.293	6	113.6483	2.286	18	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C(OC[5,6])(H)3	114.1070	0.000	1	114.1070	0.000	1	112.8377	1.293	6	113.6483	2.286	18	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C(OC[5,6])(H)3	113.5980	0.000	1	113.5980	0.000	1	112.8377	1.293	6	113.6483	2.286	18	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[5,6]H)(CH3)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C(OC[5,6])(H)3	113.8650	0.000	1	113.8650	0.000	1	112.8377	1.293	6	113.6483	2.286	18	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]2H)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]2H)(CH3)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C(OC[5,6])(H)3	114.1160	0.000	1	114.1160	0.000	1	113.3635	1.133	2	113.6483	2.286	18	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]2H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]2H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)2(OC)(H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C(OC[5,6])(H)3	112.6110	0.000	1	112.6110	0.000	1	113.3635	1.133	2	113.6483	2.286	18	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-2:H-1:H-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CCHH)	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(CC)(H)2	O(C[5,6]C[5,6,6]C[5,6]H)(CCHH)	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	C(OC[5,6])(CC)(H)2	112.3955	1.356	2	112.3955	1.837	2	112.3955	1.837	2	113.2673	1.158	8	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	C[5,6](C[5,6,6]C[3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C(OC[5,6])(OC)(H)2	112.6470	0.000	1	112.6470	0.000	1	112.9957	0.092	3	113.2673	1.158	8	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6,6]C[5,6]H)(CHHO)	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C(OC[5,6])(OC)(H)2	113.1700	0.051	2	113.1700	0.003	2	112.9957	0.092	3	113.2673	1.158	8	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5,6]C[5,6]2H)(CHHO)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6]2H)(CHHO)	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(OC[5,6])(OC)(H)2	113.0770	0.000	1	113.0770	0.000	1	114.1200	1.080	3	113.2673	1.158	8	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5,6]C[5,6]2H)(CHHO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6]2H)(CHHO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C(OC[5,6])(OC)(H)2	115.1550	0.000	1	115.1550	0.000	1	114.1200	1.080	3	113.2673	1.158	8	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5,6]C[5,6]2H)(CHHO)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H)	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6]2H)(CHHO)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C(OC[5,6])(OC)(H)2	114.1280	0.000	1	114.1280	0.000	1	114.1200	1.080	3	113.2673	1.158	8	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]PdH)(OC)(H)	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]PdH)(OC)(H){2|C<4>,4|H<1>}	C(OC[5,6])(CH3)(H)2	112.9170	0.139	2	112.9170	0.019	2	112.1495	0.792	4	112.1495	0.792	4	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(OC)(H)	C(OC[5,6])(CH3)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CCHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]HH)(OC)(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>}	C(OC[5,6])(CH3)(H)2	111.3820	0.000	2	111.3820	0.000	2	112.1495	0.792	4	112.1495	0.792	4	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:4:4:4:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,5,6]C[5,6]H)(CC3)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H)	C(OC[5,6])(CH3)3	O(C[5,6]C[5,5,6]C[5,6]H)(CC3)	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5]O[6]H)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C(OC[5,6])(CH3)3	118.1090	0.843	4	118.1090	0.711	4	118.1090	0.711	4	117.9127	2.140	9	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:4:4:4:	C[5,6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,6,6]C[5,6]H)(CC3)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H)	C(OC[5,6])(CH3)3	O(C[5,6]C[5,6,6]C[5,6]H)(CC3)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]O[6]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C(OC[5,6])(CH3)3	116.5900	0.000	1	116.5900	0.000	1	116.5900	0.000	1	117.9127	2.140	9	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	2:4:4:4:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,6]2H)(CC3)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H)	C(OC[5,6])(CH3)3	O(C[5,6]C[5,6]2H)(CC3)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C(OC[5,6])(CH3)3	118.0470	2.083	4	118.0470	4.337	4	118.0470	4.337	4	117.9127	2.140	9	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,5,6]C[5,6,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[3x5,6,6]C[6]C)(OC)(H){2|C<4>,2|N<3>,3|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(H)2	115.5385	1.262	4	115.5385	1.593	4	115.5385	1.593	4	112.9155	3.639	17	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(H)2	113.2535	0.961	4	112.3103	2.689	6	112.4656	2.017	8	112.9155	3.639	17	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(H)2	110.4240	0.027	2	112.3103	2.689	6	112.4656	2.017	8	112.9155	3.639	17	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|S<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(H)2	113.1500	0.000	1	113.1500	0.000	1	112.4656	2.017	8	112.9155	3.639	17	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)	C[5,6](C[5,5,6]O[5,5]S[5,6]H)(C[5,6]C[5,5,6]HO)(OC)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(H)2	112.7130	0.000	1	112.7130	0.000	1	112.4656	2.017	8	112.9155	3.639	17	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5,6]C[5,6]2H)(CC[6a]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6]2H)(CC[6a]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<3>,4|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(H)2	111.0920	0.000	1	111.5368	0.170	5	111.5368	0.170	5	112.9155	3.639	17	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5,6]C[5,6]2H)(CC[6a]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6]2H)(CC[6a]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]H)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(H)2	111.6480	0.380	4	111.5368	0.170	5	111.5368	0.170	5	112.9155	3.639	17	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[3,5,6]C[6]O[5])(CH3)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[3,5,6]C[6]O[5])(CH3)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC){2|H<1>,2|O<2>,4|C<4>}	C(OC[5,6])(H)3	116.7590	0.000	1	116.7590	0.000	1	116.7590	0.000	1	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,5,6,6]-4:C[6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[6]C[6]HO)(O[5]C[5,6])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,6]N[5])(C[6]C[6]HO)(O[5]C[5,6])(OC){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C(OC[5,6])(H)3	115.4430	0.000	1	115.4430	0.000	1	115.4430	0.000	1	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,5,6]2O)(CH3)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OC)2	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]2O)(CH3)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OC)2{1|S<2>,1|S<4>,2|H<1>,4|C<4>}	C(OC[5,6])(H)3	115.4222	0.694	4	115.4222	0.482	4	115.4222	0.482	4	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,5,6]C[6]O[5])(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[6]O[5])(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<3>,2|H<1>,3|C<4>}	C(OC[5,6])(H)3	115.5840	0.000	1	115.5840	0.000	1	115.5840	0.000	1	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5,6])(OC){2|C<3>,2|C<4>,3|H<1>}	C(OC[5,6])(H)3	117.7590	0.000	1	117.7590	0.000	1	117.7590	0.000	1	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]2O)(CH3)	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]2O)(CH3)	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(OC[5,6])(H)3	115.2170	0.000	1	115.2170	0.000	1	115.2170	0.000	1	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C(OC[5,6])(H)3	117.0160	0.000	1	117.0160	0.000	1	116.0116	0.968	7	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C(OC[5,6])(H)3	115.7245	1.209	4	115.7245	1.461	4	116.0116	0.968	7	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HN)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C(OC[5,6])(H)3	115.8870	0.000	1	115.8870	0.000	1	116.0116	0.968	7	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]O[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HS)(O[6]C[6])(OC){1|C<4>,6|H<1>}	C(OC[5,6])(H)3	116.2800	0.000	1	116.2800	0.000	1	116.0116	0.968	7	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]HH)(O[5]C[5])(OC){1|C<3>,2|H<1>,3|C<4>}	C(OC[5,6])(H)3	115.9710	0.000	1	115.9710	0.000	1	115.6280	0.958	4	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<2>,4|H<1>}	C(OC[5,6])(H)3	115.3380	0.000	1	115.3380	0.000	1	115.6280	0.958	4	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6]HH)(O[5]C[5])(OC){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(OC[5,6])(H)3	116.7570	0.000	1	116.7570	0.000	1	115.6280	0.958	4	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[6]O[5])(CH3)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(O[5]C[5])(OC){2|C<4>,5|H<1>}	C(OC[5,6])(H)3	114.4460	0.000	1	114.4460	0.000	1	115.6280	0.958	4	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5,6]-4:C-4:	C[6,6]-4:C[5,6]-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[6,6]O[5])(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[6,6]O[5])(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(OC){1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C(OC[5,6])(H)3	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	115.8509	0.817	21	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:2:2:	2:4:4:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	O-2:C-4:C-4:H-1:	O(C[5,6]C[5,6]2O[5])(CCCH)	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC)	C(OC[5,6])(CF3)2(H)	O(C[5,6]C[5,6]2O[5])(CCCH)	C[5,6](C[5,6]C[5,6]C[5]H)2(O[5]C[5])(OC){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C(OC[5,6])(CF3)2(H)	118.9890	0.000	1	118.9890	0.000	1	118.9890	0.000	1	118.9890	0.000	1	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:C[5a]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6]C[5a])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,5,6]C[5,6]C[5a])(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[5a]N[5a]2)(OC){2|N<2>,3|C<4>,4|H<1>}	C(OC[5,6])(H)3	115.4945	1.906	2	115.4945	3.632	2	115.4945	3.632	2	115.7834	1.015	5	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|S<4>,4|H<1>}	C(OC[5,6])(H)3	116.1110	0.000	1	116.1110	0.000	1	116.1345	0.001	2	115.7834	1.015	5	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){2|C<3>,4|H<1>}	C(OC[5,6])(H)3	116.1580	0.000	1	116.1580	0.000	1	116.1345	0.001	2	115.7834	1.015	5	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]ClH)(C[5]C[5]C)(OC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C(OC[5,6])(H)3	115.6590	0.000	1	115.6590	0.000	1	115.6590	0.000	1	115.7834	1.015	5	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,5]C[5,6]C[6])(CH3)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,5]C[5,6]C[6])(CH3)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C(OC[5,6])(H)3	118.8750	0.000	1	118.8750	0.000	1	118.8750	0.000	1	117.2835	1.133	4	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]2C)(CH3)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]2C)(CH3)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC){1|O<1>,3|C<3>,4|H<1>}	C(OC[5,6])(H)3	116.7980	0.000	1	116.7980	0.000	1	116.7140	0.014	2	117.2835	1.133	4	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]2C)(CH3)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]2C)(CH3)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC){1|O<1>,2|H<1>,3|C<3>}	C(OC[5,6])(H)3	116.6300	0.000	1	116.6300	0.000	1	116.7140	0.014	2	117.2835	1.133	4	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC)	C(OC[5,6])(H)3	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2O)(OC){1|C<4>,3|C<3>,3|H<1>}	C(OC[5,6])(H)3	116.8310	0.000	1	116.8310	0.000	1	116.8310	0.000	1	117.2835	1.133	4	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:4:2:	2:2:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:O-2:H-1:H-1:	O(C[5,6]C[5,6]2C[5])(CHHO)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC)	C(OC[5,6])(OC)(H)2	O(C[5,6]C[5,6]2C[5])(CHHO)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]HH)(OC){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C(OC[5,6])(OC)(H)2	118.4230	0.000	1	118.4230	0.000	1	118.4230	0.000	1	118.4230	0.000	1	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:4:2:	3:2:1:1:	C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:C-4:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OC)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OC){3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(H)2	117.3070	0.000	1	117.3070	0.000	1	117.3070	0.000	1	115.3948	1.744	4	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:4:2:	3:2:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C(C[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|N<3>,1|O<2>,5|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(H)2	114.6420	0.526	2	114.6420	0.277	2	114.6420	0.277	2	115.3948	1.744	4	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5,6]	C	4:4:	4:4:4:2:	3:2:1:1:	C[5,6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	N[6a]-3:O-2:H-1:H-1:	O(C[5,6]C[5,6]C[5]C[6])(CN[6a]HH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC)	C(N[6a]C[6a]2)(OC[5,6])(H)2	O(C[5,6]C[5,6]C[5]C[6])(CN[6a]HH)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]HH)(OC){1|O<2>,5|H<1>}	C(N[6a]C[6a]2)(OC[5,6])(H)2	114.9880	0.000	1	114.9880	0.000	1	114.9880	0.000	1	115.3948	1.744	4	115.1207	4.253	133	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	2:2:2:1:	2:1:1:1:	C[5]-4:C-4:	O[5]-2:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]O[5]2H)(CH3)	C[5](O[5]C[5])2(OC)(H)	C(OC[5])(H)3	O(C[5]O[5]2H)(CH3)	C[5](O[5]C[5])2(OC)(H){2|C<4>,2|H<1>}	C(OC[5])(H)3	112.9730	0.000	1	112.9730	0.000	1	112.9730	0.000	1	112.9730	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	2:2:4:2:	2:1:1:1:	C[5]-4:C-4:	O[5]-2:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]O[5]2C)(CH3)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC)	C(OC[5])(H)3	O(C[5]O[5]2C)(CH3)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC){1|C<3>,2|C<4>}	C(OC[5])(H)3	115.6310	0.000	1	115.6310	0.000	1	115.6355	0.000	2	115.6355	0.000	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	2:2:4:2:	2:1:1:1:	C[5]-4:C-4:	O[5]-2:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]O[5]2C)(CH3)	C[5](O[5]C[5,5])2(CH3)(OC)	C(OC[5])(H)3	O(C[5]O[5]2C)(CH3)	C[5](O[5]C[5,5])2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	C(OC[5])(H)3	115.6400	0.000	1	115.6400	0.000	1	115.6355	0.000	2	115.6355	0.000	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	2:3:2:1:	2:1:1:1:	C[5]-4:C-4:	O[5]-2:C[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)(H){1|H<1>,2|C<3>}	C(OC[5])(H)3	114.4970	0.000	1	114.4970	0.000	1	114.4970	0.000	1	114.4970	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	2:3:2:2:	2:1:1:1:	C[5]-4:C-4:	O[5]-2:C[5]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]O)(CH3)	C[5](O[5]C[5,5])(C[5]C[5]C)(OC)2	C(OC[5])(H)3	O(C[5]C[5]O[5]O)(CH3)	C[5](O[5]C[5,5])(C[5]C[5]C)(OC)2{1|C<4>,2|C<3>}	C(OC[5])(H)3	115.7840	0.195	2	115.7840	0.038	2	115.7840	0.038	2	115.7840	0.038	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-3:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC)(H){1|O<2>,3|C<3>}	C(OC[5])(H)3	113.5660	0.000	1	113.5660	0.000	1	112.8905	0.913	2	113.3517	0.825	15	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-3:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C(OC[5])(H)3	112.2150	0.000	1	112.2150	0.000	1	112.8905	0.913	2	113.3517	0.825	15	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]O[5]H)(CH3)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6a]O[5]H)(CH3)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(OC[5])(H)3	113.0970	0.651	2	113.0970	0.423	2	113.3530	0.408	3	113.3517	0.825	15	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]O[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6a]O[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H){2|H<1>,3|C<3>}	C(OC[5])(H)3	113.8650	0.000	1	113.8650	0.000	1	113.3530	0.408	3	113.3517	0.825	15	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(OC)(H){1|O<2>,2|C<4>}	C(OC[5])(H)3	112.7395	0.185	2	112.7395	0.034	2	113.4435	1.034	10	113.3517	0.825	15	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	C(OC[5])(H)3	112.8610	0.112	2	112.8610	0.012	2	113.4435	1.034	10	113.3517	0.825	15	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[5])(H)3	112.4600	0.000	1	112.7475	0.165	2	113.4435	1.034	10	113.3517	0.825	15	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>}	C(OC[5])(H)3	113.0350	0.000	1	112.7475	0.165	2	113.4435	1.034	10	113.3517	0.825	15	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>}	C(OC[5])(H)3	113.7085	0.401	2	114.3117	1.172	3	113.4435	1.034	10	113.3517	0.825	15	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]N)(O[5]C[5])(OC)(H){1|Cl<1>,1|O<1>}	C(OC[5])(H)3	115.5180	0.000	1	114.3117	1.172	3	113.4435	1.034	10	113.3517	0.825	15	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]N[6])(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]N[6])(O[5]C[5])(OC)(H){1|Br<1>,1|O<1>,2|C<3>}	C(OC[5])(H)3	114.8040	0.000	1	114.8040	0.000	1	113.4435	1.034	10	113.3517	0.825	15	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]O[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]O[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(OC[5])(CH3)(H)2	113.3430	0.960	2	113.3430	0.922	2	113.3430	0.922	2	113.3430	0.922	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:C-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]O)(O[5]C[5])(CC)(OC){1|C<3>,1|H<1>}	C(OC[5])(H)3	115.6800	0.000	1	115.6800	0.000	1	115.6800	0.000	1	115.5757	0.015	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(OC)2	C(OC[5])(H)3	O(C[5]C[5]O[5]O)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(OC)2{3|C<3>}	C(OC[5])(H)3	115.5235	0.120	2	115.5235	0.014	2	115.5235	0.014	2	115.5757	0.015	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:2:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:O[5]-2:C-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]O[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CN)(OC)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]O[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CN)(OC){1|H<1>,1|N<2>,2|C<3>}	C(OC[5])(CH3)(H)2	115.7790	0.000	1	115.7790	0.000	1	115.7790	0.000	1	115.7790	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:2:2:	4:2:1:1:	C[5]-4:C-4:	C[6a]-3:O[5]-2:O[5]-2:O-2:	C[6]-4:O-2:H-1:H-1:	O(C[5]C[6a]O[5]2)(CC[6]HH)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC)	C(C[6]C[6]O[6]H)(OC[5])(H)2	O(C[5]C[6a]O[5]2)(CC[6]HH)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6]O[6]H)(OC[5])(H)2	118.6880	0.000	1	118.6880	0.000	1	118.6880	0.000	1	118.6880	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:O[5]-2:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]O[5]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(COO)(OC)	C(OC[5])(H)3	O(C[5]C[5,6a]O[5]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(COO)(OC){1|H<1>,3|C<3>}	C(OC[5])(H)3	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC){1|C<4>,1|O<1>}	C(OC[5])(H)3	116.1400	0.000	1	116.1400	0.000	1	115.2305	0.656	4	115.2305	0.656	4	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>,2|H<1>}	C(OC[5])(H)3	115.4010	0.000	1	115.4010	0.000	1	115.2305	0.656	4	115.2305	0.656	4	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC){1|C<3>,1|H<1>}	C(OC[5])(H)3	115.2050	0.000	1	115.2050	0.000	1	115.2305	0.656	4	115.2305	0.656	4	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC){1|Zn<5>,1|C<3>}	C(OC[5])(H)3	114.1760	0.000	1	114.1760	0.000	1	115.2305	0.656	4	115.2305	0.656	4	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]2H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])2(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6a]2H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])2(OC)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(OC[5])(H)3	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	113.7964	1.202	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){2|C<3>,2|H<1>}	C(OC[5])(H)3	113.4690	0.000	1	113.4690	0.000	1	113.4690	0.000	1	113.7964	1.202	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]N[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6a]N[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C(OC[5])(H)3	114.1265	1.876	2	114.1265	3.519	2	114.2782	2.164	5	113.7964	1.202	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]N[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6a]N[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C(OC[5])(H)3	115.2555	0.675	2	115.2555	0.456	2	114.2782	2.164	5	113.7964	1.202	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]N[5]H)(CH3)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6a]N[5]H)(CH3)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(OC)(H){1|O<1>,3|C<3>}	C(OC[5])(H)3	112.6270	0.000	1	112.6270	0.000	1	114.2782	2.164	5	113.7964	1.202	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:C[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]P[4,5]C)(C[5]N[5]O)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]P[4,5]C)(C[5]N[5]O)(OC)(H){1|C<4>,2|N<3>}	C(OC[5])(H)3	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	113.7964	1.202	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(OC)(H){1|Cl<1>,1|C<3>,1|O<1>,1|S<2>}	C(OC[5])(H)3	114.0680	0.000	1	114.0680	0.000	1	113.9215	0.043	2	113.7964	1.202	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(OC)(H){1|Cl<1>,1|O<1>,2|C<3>}	C(OC[5])(H)3	113.7750	0.000	1	113.7750	0.000	1	113.9215	0.043	2	113.7964	1.202	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	2:1:1:1:	C[5]-4:C-4:	N[5]-3:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]N[5]2H)(CH3)	C[5](N[5]C[6a]C[5])2(OC)(H)	C(OC[5])(H)3	O(C[5]N[5]2H)(CH3)	C[5](N[5]C[6a]C[5])2(OC)(H){4|C<3>,4|H<1>}	C(OC[5])(H)3	113.0970	0.000	1	113.0970	0.000	1	113.0970	0.000	1	113.7964	1.202	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]C[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C(OC[5])(CHHO)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){2|C<3>,2|H<1>}	C(OC[5])(CHHO)(H)2	113.8480	0.000	1	113.8480	0.000	1	113.1457	0.518	3	113.7540	1.825	4	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]C[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[5])(CCHH)(H)2	112.7945	0.544	2	112.7945	0.296	2	113.1457	0.518	3	113.7540	1.825	4	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:N[5]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]N[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]N[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(OC)(H){1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	C(OC[5])(CH3)(H)2	115.5790	0.000	1	115.5790	0.000	1	115.5790	0.000	1	113.7540	1.825	4	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,6a]C[5]H)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6a]C[5]H)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(H)2	114.2160	0.000	1	114.2160	0.000	1	114.2160	0.000	1	114.2160	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:1:	3:3:2:1:	C[5]-4:C-4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:H-1:	O(C[5]C[5,6a]N[5]H)(CC[6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H)	C(C[6a]C[6a]2)2(OC[5])(H)	O(C[5]C[5,6a]N[5]H)(CC[6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)2(OC[5])(H)	113.3607	0.715	3	113.3607	0.511	3	113.3607	0.511	3	113.3607	0.511	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-3:C[6a]-3:N[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[6a]N[5])(CH3)	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC)	C(OC[5])(H)3	O(C[5]C[5,5]C[6a]N[5])(CH3)	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C(OC[5])(H)3	114.5340	0.000	1	114.5340	0.000	1	114.5340	0.000	1	115.0782	0.694	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]2O)(CH3)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OC)	C(OC[5])(H)3	O(C[5]C[5,6a]2O)(CH3)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OC){1|C<4>,5|C<3>}	C(OC[5])(H)3	114.8007	0.420	3	114.8007	0.176	3	114.8007	0.176	3	115.0782	0.694	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:2:	2:1:1:1:	C[5]-4:C-4:	C[6a]-3:N[5]-3:S[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[6a]N[5]S[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(S[5]C[5])(OC)	C(OC[5])(H)3	O(C[5]C[6a]N[5]S[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(S[5]C[5])(OC){3|C<3>,3|H<1>}	C(OC[5])(H)3	116.4550	0.000	1	116.4550	0.000	1	116.4550	0.000	1	115.0782	0.694	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:2:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-3:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]C[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)2	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)2{2|C<3>,2|H<1>}	C(OC[5])(CH3)(H)2	115.8483	0.181	4	115.8483	0.033	4	115.8483	0.033	4	115.4957	0.406	6	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:2:2:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:N[5]-3:N-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]N[5]N)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC[5a])(OC)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,6a]N[5]N)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC[5a])(OC){1|H<1>,1|N<2>,2|C<3>}	C(OC[5])(CCHH)(H)2	114.7905	0.664	2	114.7905	0.441	2	114.7905	0.441	2	115.4957	0.406	6	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]2C[6a])(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)	C(OC[5])(H)3	O(C[5]C[5,6a]2C[6a])(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC){3|H<1>,7|C<3>}	C(OC[5])(H)3	113.7020	0.000	1	113.7020	0.000	1	113.7020	0.000	1	114.5558	0.461	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:C[5]-3:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC)	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)(OC){4|H<1>}	C(OC[5])(H)3	114.7730	0.000	1	114.7730	0.000	1	114.2780	0.490	2	114.5558	0.461	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:C[5]-3:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)(OC)	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(COO)(OC){1|C<3>,1|P<4>}	C(OC[5])(H)3	113.7830	0.000	1	113.7830	0.000	1	114.2780	0.490	2	114.5558	0.461	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:C[5]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC)	C(OC[5])(H)3	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OC){2|H<1>,8|C<3>}	C(OC[5])(H)3	114.0080	0.000	1	114.0080	0.000	1	114.0080	0.000	1	114.5558	0.461	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5a]-3:C[5]-3:N[5]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5a]C[5]N[5])(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]Ni)(OC)	C(OC[5])(H)3	O(C[5]C[5a]C[5]N[5])(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]Ni)(OC){3|H<1>,5|C<3>}	C(OC[5])(H)3	114.7695	0.019	2	114.7695	0.000	2	114.7695	0.000	2	114.5558	0.461	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:3:2:	2:1:1:1:	C[5]-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC)	C(OC[5])(H)3	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C(OC[5])(H)3	114.6290	0.017	2	114.6290	0.000	2	114.6290	0.000	2	114.5558	0.461	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:3:2:	2:1:1:1:	C[5]-4:C-4:	N[5,6]-3:C[6a]-3:C[5]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]N[5,6]C[6a]C[5])(CH3)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(OC)	C(OC[5])(H)3	O(C[5]N[5,6]C[6a]C[5])(CH3)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(OC){1|N<2>,3|C<3>,4|H<1>}	C(OC[5])(H)3	115.9390	0.000	1	115.9390	0.000	1	115.9390	0.000	1	114.5558	0.461	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:3:2:	2:4:1:1:	C[5]-4:C-4:	C[6a]-3:C[5]-3:N[5]-3:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[6a]C[5]N[5])(CCHH)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]Br)(N[5]C[5]S)(OC)	C(OC[5])(CH3)(H)2	O(C[5]C[6a]C[5]N[5])(CCHH)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]Br)(N[5]C[5]S)(OC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(OC[5])(CH3)(H)2	116.9470	0.000	1	116.9470	0.000	1	116.9470	0.000	1	116.9470	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]C[5]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){2|C<3>,2|H<1>}	C(OC[5])(H)3	114.1170	0.000	1	114.1170	0.000	1	114.1170	0.000	1	113.5559	25.693	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]C[6a]C[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC)	C(OC[5])(H)3	O(C[5]C[5,6a]C[6a]C[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HO)(OC){3|H<1>,5|C<3>}	C(OC[5])(H)3	114.3190	0.000	1	114.3190	0.000	1	114.3190	0.000	1	113.5559	25.693	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:C[5]-3:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2C[6])(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC)	C(OC[5])(H)3	O(C[5]C[5]2C[6])(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)(OC){2|C<3>,5|H<1>,6|C<4>}	C(OC[5])(H)3	116.7140	0.000	1	116.7140	0.000	1	116.7140	0.000	1	113.5559	25.693	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OC){1|C<2>,1|C<3>}	C(OC[5])(H)3	101.3070	0.000	1	101.3070	0.000	1	107.6400	80.214	2	113.5559	25.693	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]N[5]C)(CH3)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OC)	C(OC[5])(H)3	O(C[5]C[5]N[5]C)(CH3)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OC){2|C<3>}	C(OC[5])(H)3	113.9730	0.000	1	113.9730	0.000	1	107.6400	80.214	2	113.5559	25.693	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:1:1:1:	C[5]-4:C-4:	N[5,6a]-3:N[5]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]N[5,6a]N[5]C)(CH3)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OC)	C(OC[5])(H)3	O(C[5]N[5,6a]N[5]C)(CH3)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OC){2|C<3>,2|O<1>}	C(OC[5])(H)3	116.1760	0.000	1	116.1760	0.000	1	116.1760	0.000	1	113.5559	25.693	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:1:1:1:	C[5]-4:C-4:	N[5]-3:N[5]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]N[5]2C)(CH3)	C[5](N[5]C[5]H)2(CH3)(OC)	C(OC[5])(H)3	O(C[5]N[5]2C)(CH3)	C[5](N[5]C[5]H)2(CH3)(OC){2|O<1>}	C(OC[5])(H)3	115.9205	0.849	2	115.9205	0.721	2	115.9205	0.721	2	113.5559	25.693	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]C[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|Br<1>,1|C<4>,2|C<3>}	C(OC[5])(CCHH)(H)2	120.9670	0.785	2	119.2305	7.276	4	117.9038	14.258	5	116.8522	10.279	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]C[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(OC[5])(CCHH)(H)2	117.4940	3.025	2	119.2305	7.276	4	117.9038	14.258	5	116.8522	10.279	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]C[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	C(OC[5])(CCHO)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(OC[5])(CCHO)(H)2	112.5970	0.000	1	112.5970	0.000	1	117.9038	14.258	5	116.8522	10.279	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]C[6a]C[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[6a]C[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OC){1|C<2>,4|C<3>,4|H<1>}	C(OC[5])(CH3)(H)2	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	116.8522	10.279	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:4:1:1:	C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5]N[5]C)(CCHH)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC3)(OC)	C(OC[5])(CH3)(H)2	O(C[5]C[5]N[5]C)(CCHH)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC3)(OC){1|C<3>,1|C<4>}	C(OC[5])(CH3)(H)2	114.9410	0.156	2	114.9410	0.024	2	114.9410	0.024	2	116.8522	10.279	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	2:4:4:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:C-4:C-4:H-1:	O(C[5]C[5,6a]C[5]C)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC)	C(OC[5])(CCHH)(CHHO)(H)	O(C[5]C[5,6a]C[5]C)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(OC[5])(CCHH)(CHHO)(H)	116.5270	0.000	1	116.5270	0.000	1	116.5270	0.000	1	116.5270	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:3:4:2:	4:2:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	O(C[5]C[5,6a]C[5]C)(CC[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C(C[5]C[5]2H)(OC[5])(H)2	O(C[5]C[5,6a]C[5]C)(CC[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2H)(OC[5])(H)2	116.3850	0.000	1	116.3850	0.000	1	116.3850	0.000	1	116.3850	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H){2|C<3>,3|H<1>}	C(OC[5])(H)3	115.4790	0.000	1	115.4790	0.000	1	113.9699	1.138	9	114.0529	2.119	14	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C(OC[5])(H)3	112.2210	0.000	1	112.2210	0.000	1	113.9699	1.138	9	114.0529	2.119	14	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C(OC[5])(H)3	113.8353	0.716	6	113.8353	0.512	6	113.9699	1.138	9	114.0529	2.119	14	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]H)(CH3)	C[5](C[5,6a]N[5a,6a]C[5,6a])(C[5]C[5]HH)(OC)(H){1|N<2>,2|C<3>,2|H<1>}	C(OC[5])(H)3	115.0170	0.000	1	115.0170	0.000	1	113.9699	1.138	9	114.0529	2.119	14	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(OC)(H){4|C<3>}	C(OC[5])(H)3	112.6980	0.000	1	112.6980	0.000	1	112.6627	0.052	3	114.0529	2.119	14	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,4|C<4>}	C(OC[5])(H)3	112.6450	0.318	2	112.6450	0.101	2	112.6627	0.052	3	114.0529	2.119	14	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:1:1:1:	C[5]-4:C-4:	N[5]-3:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){1|S<1>,3|C<3>}	C(OC[5])(H)3	116.5115	0.624	2	116.5115	0.390	2	116.5115	0.390	2	114.0529	2.119	14	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]C[5,5]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[5,5]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(OC)(H){1|H<1>,4|C<3>}	C(OC[5])(CH3)(H)2	113.4615	0.166	2	113.4615	0.028	2	113.4615	0.028	2	114.3003	0.859	12	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]C[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[5]H)(CCHH)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C(OC[5])(CH3)(H)2	114.7725	0.848	6	114.7725	0.719	6	114.7725	0.719	6	114.3003	0.859	12	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-3:C[5]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(OC)(H){2|H<1>,3|C<3>}	C(OC[5])(CH3)(H)2	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	114.3003	0.859	12	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:4:1:1:	C[5]-4:C-4:	N[5,6]-3:C[5]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]N[5,6]C[5]H)(CCHH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]N[5,6]C[5]H)(CCHH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>}	C(OC[5])(CH3)(H)2	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	114.3003	0.859	12	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:4:1:1:	C[5]-4:C-4:	N[5]-3:C[5]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){2|H<1>,3|C<3>}	C(OC[5])(CH3)(H)2	114.3070	1.317	2	114.3070	1.734	2	114.3070	1.734	2	114.3003	0.859	12	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:4:4:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[5]C[5,6a]C[5]H)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H)	C(OC[5])(CF3)2(H)	O(C[5]C[5,6a]C[5]H)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H){1|H<1>,3|C<3>}	C(OC[5])(CF3)2(H)	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	116.0930	3.544	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:4:4:1:	C[5]-4:C-4:	N[5,6]-3:P[5]-4:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[5]N[5,6]P[5]H)(CCCH)	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H)	C(OC[5])(CH3)2(H)	O(C[5]N[5,6]P[5]H)(CCCH)	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H){1|H<1>,2|C<4>,4|C<3>}	C(OC[5])(CH3)2(H)	115.0255	0.500	2	115.0255	0.250	2	115.0255	0.250	2	116.0930	3.544	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:4:4:4:	C[5]-4:C-4:	C[5,5a]-3:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5a]C[5]H)(CC3)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)3	O(C[5]C[5,5a]C[5]H)(CC3)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C(OC[5])(CH3)3	119.0840	0.000	1	119.0840	0.000	1	119.0840	0.000	1	118.1693	1.019	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	2:4:4:4:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6a]C[5]H)(CC3)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)3	O(C[5]C[5,6a]C[5]H)(CC3)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C(OC[5])(CH3)3	117.7120	0.885	2	117.7120	0.784	2	117.7120	0.784	2	118.1693	1.019	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:1:	4:2:4:4:	C[5]-4:C-4:	C[5,5a]-3:C[5,6]-4:O-2:H-1:	C[4]-4:O-2:C-4:C-4:	O(C[5]C[5,5a]C[5,6]H)(CC[4]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H)	C(C[4]C[4,6]C[4]H)(OC[5])(CH3)2	O(C[5]C[5,5a]C[5,6]H)(CC[4]CC)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C(C[4]C[4,6]C[4]H)(OC[5])(CH3)2	119.9360	0.000	1	119.9360	0.000	1	119.9360	0.000	1	119.9360	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)2	C(OC[5])(H)3	O(C[5]C[5,6a]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)2{1|H<1>,1|O<1>,2|C<3>}	C(OC[5])(H)3	113.9750	0.175	2	113.9750	0.031	2	113.9750	0.031	2	113.9750	0.031	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6a]C[6a]C[5])(CH3)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C(OC[5])(H)3	O(C[5]C[5,6a]C[6a]C[5])(CH3)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C(OC[5])(H)3	116.0140	0.000	1	116.0140	0.000	1	116.0140	0.000	1	116.0140	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:3:2:	2:4:1:1:	C[5]-4:C-4:	C[5,5]-3:C[5]-4:C[5]-3:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5,5]C[5]2)(CCHH)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC)	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]C[5]2)(CCHH)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C(OC[5])(CH3)(H)2	116.8990	0.000	1	116.8990	0.000	1	116.8990	0.000	1	116.5655	0.222	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:3:2:	2:4:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C-3:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5,6a]C[5]C)(CCHH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(COO)(OC)	C(OC[5])(CH3)(H)2	O(C[5]C[5,6a]C[5]C)(CCHH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(COO)(OC){1|O<1>,1|O<2>,2|C<3>}	C(OC[5])(CH3)(H)2	116.2320	0.000	1	116.2320	0.000	1	116.2320	0.000	1	116.5655	0.222	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:3:2:	3:2:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.8430	0.000	1	113.8430	0.000	1	114.1080	0.140	2	115.9652	7.115	4	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:3:2:	3:2:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6a]C[5]2)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC){2|C<4>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	114.3730	0.000	1	114.3730	0.000	1	114.1080	0.140	2	115.9652	7.115	4	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:3:2:	3:2:1:1:	C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,6a]C[6a]C[5])(CC[6a]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6a]C[6a]C[5])(CC[6a]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OC){1|O<2>,2|H<1>,7|C<3>}	C(C[6a]C[6a]2)(OC[5])(H)2	117.8225	2.722	2	117.8225	7.407	2	117.8225	7.407	2	115.9652	7.115	4	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:C[5]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>}	C(OC[5])(H)3	116.5050	0.000	1	116.5050	0.000	1	116.0623	0.245	3	116.3608	0.342	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:C[5]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC){1|O<1>,3|C<3>}	C(OC[5])(H)3	116.1540	0.000	1	116.1540	0.000	1	116.0623	0.245	3	116.3608	0.342	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-3:C[5]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC)	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC){1|Si<4>,1|O<1>,2|C<3>}	C(OC[5])(H)3	115.5280	0.000	1	115.5280	0.000	1	116.0623	0.245	3	116.3608	0.342	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	3:4:4:2:	2:1:1:1:	C[5]-4:C-4:	N[5,5]-3:C[5]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]N[5,5]C[5]C)(CH3)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(OC)	C(OC[5])(H)3	O(C[5]N[5,5]C[5]C)(CH3)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(OC){1|C<4>,2|H<1>,2|N<3>}	C(OC[5])(H)3	116.8085	0.457	2	116.8085	0.209	2	116.8085	0.209	2	116.3608	0.342	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[4,5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[4,5]O[5]H)(CH3)	C[5](C[4,5]C[4,5,5]C[4,5]H)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[4,5]O[5]H)(CH3)	C[5](C[4,5]C[4,5,5]C[4,5]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>,3|C<4>}	C(OC[5])(H)3	114.6530	0.000	1	114.6530	0.000	1	114.6530	0.000	1	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[3,5]C[5,5]H)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[3,5]C[5,5]H)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(OC[5])(H)3	112.4750	0.000	1	112.4750	0.000	1	113.1695	0.649	13	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C(OC[5])(H)3	114.0450	0.000	1	114.0450	0.000	1	113.1695	0.649	13	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(OC[5])(H)3	111.9850	0.000	1	112.0560	0.010	2	113.1695	0.649	13	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(OC[5])(H)3	112.1270	0.000	1	112.0560	0.010	2	113.1695	0.649	13	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[5])(H)3	113.3603	0.706	8	113.3603	0.499	8	113.1695	0.649	13	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5]3)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]H)(CH3)	C[5](C[5,5]C[5]3)(O[5]C[5])(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C(OC[5])(H)3	113.6890	0.000	1	113.6890	0.000	1	113.1695	0.649	13	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(OC)(H){2|C<3>,2|H<1>,3|C<4>}	C(OC[5])(H)3	113.4480	0.000	1	113.4480	0.000	1	113.3459	0.284	12	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C(OC[5])(H)3	113.1855	0.337	2	113.6238	0.446	4	113.3459	0.284	12	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	C(OC[5])(H)3	114.0620	0.675	2	113.6238	0.446	4	113.3459	0.284	12	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]2H)(O[5]C[5,6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C(OC[5])(H)3	112.7050	0.484	2	112.7050	0.234	2	113.3459	0.284	12	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OC)(H){2|C<4>,5|H<1>}	C(OC[5])(H)3	113.7010	0.000	1	113.7010	0.000	1	113.3459	0.284	12	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]O[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C(OC[5])(H)3	113.2742	0.295	4	113.2742	0.087	4	113.3459	0.284	12	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:N[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]S[5]CC)(N[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]S[5]CC)(N[5]C[5])(OC)(H){1|N<2>}	C(OC[5])(H)3	111.6230	0.000	1	111.6230	0.000	1	111.6230	0.000	1	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[3,5]CH)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	C(OC[5])(H)3	112.1865	0.291	2	112.1865	0.084	2	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[3,5]HN)(O[5]C[3,5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[3,5]HN)(O[5]C[3,5])(OC)(H){1|C<4>,1|H<1>,1|S<4>}	C(OC[5])(H)3	113.5610	0.000	1	113.5610	0.000	1	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	C(OC[5])(H)3	112.8370	0.000	1	112.8370	0.000	1	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(H)3	112.6020	0.000	1	112.6020	0.000	1	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|Br<1>,3|C<4>}	C(OC[5])(H)3	112.4870	0.000	1	113.5823	1.290	3	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(H)3	114.1300	0.884	2	113.5823	1.290	3	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[5])(H)3	112.0510	0.000	1	112.3648	0.186	5	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(H)3	112.4433	0.454	4	112.3648	0.186	5	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(OC)(H){4|C<3>}	C(OC[5])(H)3	113.1490	0.000	1	113.1490	0.000	1	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	C(OC[5])(H)3	113.0630	0.000	1	113.0630	0.000	1	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[5])(H)3	112.4507	0.642	3	112.4507	0.412	3	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]C[6]O)(O[5]C[5])(OC)(H){1|C<4>,3|H<1>,3|O<2>}	C(OC[5])(H)3	111.6030	0.000	1	111.6030	0.000	1	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(H)3	113.4980	1.013	3	113.4980	1.025	3	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(OC[5])(H)3	114.4000	0.000	1	113.2033	0.422	11	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|H<1>,2|O<2>}	C(OC[5])(H)3	113.2380	0.000	1	113.2033	0.422	11	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(H)3	113.1496	0.550	8	113.2033	0.422	11	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<3>,2|H<1>}	C(OC[5])(H)3	112.4010	0.000	1	113.2033	0.422	11	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]O[5]H)(CH3)	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(H)3	113.7490	0.000	1	113.7490	0.000	1	112.9585	0.604	34	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:S[5]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]S[5]H)(CH3)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]S[5]H)(CH3)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[5])(H)3	113.0960	0.133	3	113.0960	0.018	3	113.0960	0.018	3	113.0861	0.586	64	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5,5]O[5]H)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]O[5]H)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>,1|S<3>,2|C<3>}	C(OC[5])(CH3)(H)2	113.3270	0.264	2	113.3270	0.070	2	113.0690	0.351	4	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5,5]O[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,5]O[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(CCHH)(H)2	112.8110	0.847	2	112.8110	0.718	2	113.0690	0.351	4	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC)(H){2|C<4>,2|H<1>}	C(OC[5])(CH3)(H)2	111.8470	0.000	1	111.8470	0.000	1	114.1651	29.704	15	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C(OC[5])(CH3)(H)2	112.6060	0.000	1	112.7830	0.063	2	114.1651	29.704	15	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OC)(H){1|H<1>,3|C<4>}	C(OC[5])(CH3)(H)2	112.9600	0.000	1	112.7830	0.063	2	114.1651	29.704	15	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C(OC[5])(CH3)(H)2	112.3930	0.000	1	112.3930	0.000	1	114.1651	29.704	15	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H)	C(OC[5])(CCHH)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H){1|H<1>,1|N<3>,2|C<4>}	C(OC[5])(CCHH)(H)2	111.9670	0.000	1	111.9670	0.000	1	114.1651	29.704	15	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[5])(CH3)(H)2	112.9930	0.000	1	113.1525	0.051	2	114.1651	29.704	15	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OC)(H){2|C<4>,2|H<1>}	C(OC[5])(CH3)(H)2	113.3120	0.000	1	113.1525	0.051	2	114.1651	29.704	15	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]CH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	C(OC[5])(CH3)(H)2	111.6280	0.000	1	111.6280	0.000	1	114.1651	29.704	15	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>}	C(OC[5])(CH3)(H)2	124.0240	13.649	2	120.5207	129.962	3	114.1651	29.704	15	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){2|C<3>,2|H<1>}	C(OC[5])(CH3)(H)2	113.5140	0.000	1	120.5207	129.962	3	114.1651	29.704	15	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|C<3>,2|C<4>}	C(OC[5])(CH3)(H)2	113.2900	0.000	1	112.8023	0.521	4	114.1651	29.704	15	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	C(OC[5])(CH3)(H)2	112.6397	0.789	3	112.8023	0.521	4	114.1651	29.704	15	113.9344	23.373	19	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:4:4:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]O[5]H)(CC3)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H)	C(OC[5])(CH3)3	O(C[5]C[5]O[5]H)(CC3)	C[5](C[5]C[5,6]HH)(O[5]C[5,6,6])(OC)(H){1|H<1>,1|N<3>,2|C<4>}	C(OC[5])(CH3)3	119.8185	1.080	2	119.8185	1.166	2	119.8185	1.166	2	119.4977	0.892	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	2:4:4:4:	C[5]-4:C-4:	C[5]-4:S[5]-2:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]S[5]H)(CC3)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H)	C(OC[5])(CH3)3	O(C[5]C[5]S[5]H)(CC3)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[5])(CH3)3	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	119.4977	0.892	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.8345	0.586	2	113.8345	0.344	2	112.4846	1.896	5	113.1271	1.894	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]O[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	111.5847	0.763	3	111.5847	0.582	3	112.4846	1.896	5	113.1271	1.894	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,1|O<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	115.3800	0.000	1	114.4715	1.651	2	114.4715	1.651	2	113.1271	1.894	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]O[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.5630	0.000	1	114.4715	1.651	2	114.4715	1.651	2	113.1271	1.894	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]O[5]H)(CC[6a]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CC[6a]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.6120	0.000	1	113.6120	0.000	1	113.3890	0.099	2	113.1271	1.894	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]O[5]H)(CC[6a]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CC[6a]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.1660	0.000	1	113.1660	0.000	1	113.3890	0.099	2	113.1271	1.894	9	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C-4:	C[5,6]-4:O[5]-2:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[5]C[5,6]O[5]H)(CCHH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C(CSiHH)(OC[5])(H)2	O(C[5]C[5,6]O[5]H)(CCHH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C(CSiHH)(OC[5])(H)2	112.7160	0.000	2	112.7160	0.000	2	112.7160	0.000	2	115.3127	5.759	7	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C(CClHH)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(CClHH)(OC[5])(H)2	113.6330	0.000	1	113.6330	0.000	1	114.3815	1.121	2	115.3127	5.759	7	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(OC)(H)	C(CC[5]HO)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CCHH)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C(CC[5]HO)(OC[5])(H)2	115.1300	0.000	1	115.1300	0.000	1	114.3815	1.121	2	115.3127	5.759	7	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:O-2:H-1:H-1:	O(C[5]C[5]O[5]H)(CC[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H)	C(C[5]C[5]O[5]H)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CC[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(OC[5])(H)2	116.9540	0.000	1	116.9540	0.000	1	116.9540	0.000	1	115.3127	5.759	7	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	O(C[5]C[5]O[5]H)(CC[6]HH)	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H)	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	O(C[5]C[5]O[5]H)(CC[6]HH)	C[5](C[5]C[5,6]HO)(O[5]C[5,5,6])(OC)(H){1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	118.6760	0.000	1	118.6760	0.000	1	118.6760	0.000	1	115.3127	5.759	7	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:1:	4:2:1:1:	C[5]-4:C-4:	C[5]-4:S[5]-2:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[5]C[5]S[5]H)(CCHH)	C[5](C[5]C[5]N[5]C)(S[5]C[5])(OC)(H)	C(CN[5]HH)(OC[5])(H)2	O(C[5]C[5]S[5]H)(CCHH)	C[5](C[5]C[5]N[5]C)(S[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(CN[5]HH)(OC[5])(H)2	117.3640	0.000	1	117.3640	0.000	1	117.3640	0.000	1	115.3127	5.759	7	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]O[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2	C(OC[5])(H)3	O(C[5]C[5,5]O[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2{2|C<4>,2|O<2>,3|H<1>}	C(OC[5])(H)3	114.7490	0.000	1	114.7490	0.000	1	114.7490	0.000	1	115.6100	2.489	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]O)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)2	C(OC[5])(H)3	O(C[5]C[5]O[5]O)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5,6])(OC)2{2|C<3>,2|H<1>}	C(OC[5])(H)3	116.0405	1.966	2	116.0405	3.867	2	116.0405	3.867	2	115.6100	2.489	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:2:2:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:O-2:O-2:	C-3:O-2:H-1:H-1:	O(C[5]C[5,5]O[5]O)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2	C(CC[5]O)(OC[5])(H)2	O(C[5]C[5,5]O[5]O)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC)2{2|C<4>,2|O<2>,3|H<1>}	C(CC[5]O)(OC[5])(H)2	116.9040	0.000	1	116.9040	0.000	1	116.9040	0.000	1	116.9040	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Cl)(O[5]C[5])(CCO)(OC)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Cl)(O[5]C[5])(CCO)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(OC[5])(H)3	113.6890	0.000	1	113.6890	0.000	1	113.6890	0.000	1	114.3430	0.855	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]RuB)(O[5]B[5])(CCC)(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]RuB)(O[5]B[5])(CCC)(OC){1|B<6>,1|C<4>}	C(OC[5])(H)3	114.9970	0.000	1	114.9970	0.000	1	114.9970	0.000	1	114.3430	0.855	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|C<3>,1|C<4>,1|O<1>}	C(OC[5])(H)3	114.3060	0.000	1	115.8155	0.609	10	115.8155	0.609	10	116.3130	0.618	27	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|O<1>,2|C<3>}	C(OC[5])(H)3	115.7470	0.000	1	115.8155	0.609	10	115.8155	0.609	10	116.3130	0.618	27	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5,5]O[5]C)(CH3)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>}	C(OC[5])(H)3	116.0127	0.642	8	115.8155	0.609	10	115.8155	0.609	10	116.3130	0.618	27	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]O[5]C)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5,6]O[5]C)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	C(OC[5])(H)3	116.3730	0.000	1	116.3730	0.000	1	116.3730	0.000	1	116.3130	0.618	27	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC){1|C<4>,1|H<1>,2|O<2>}	C(OC[5])(H)3	116.3060	0.000	1	116.3060	0.000	1	116.6202	0.440	16	116.3130	0.618	27	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	C(OC[5])(H)3	117.2837	0.698	3	117.2837	0.487	3	116.6202	0.440	16	116.3130	0.618	27	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|F<1>,1|N<3>,2|H<1>}	C(OC[5])(H)3	116.2355	0.194	2	116.7360	0.770	3	116.6202	0.440	16	116.3130	0.618	27	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|N<3>,1|O<2>,2|H<1>}	C(OC[5])(H)3	117.7370	0.000	1	116.7360	0.770	3	116.6202	0.440	16	116.3130	0.618	27	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC){1|C<3>,1|O<1>}	C(OC[5])(H)3	116.2650	0.525	4	116.3954	0.272	9	116.6202	0.440	16	116.3130	0.618	27	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>}	C(OC[5])(H)3	116.4998	0.554	5	116.3954	0.272	9	116.6202	0.440	16	116.3130	0.618	27	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:4:2:	3:2:3:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:C-4:O-2:	C[6a]-3:O-2:C-3:H-1:	O(C[5]C[5]O[5]C)(CC[6a]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC)	C(C[6a]C[6a]2)(OC[5])(CCH)(H)	O(C[5]C[5]O[5]C)(CC[6a]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC){4|H<1>}	C(C[6a]C[6a]2)(OC[5])(CCH)(H)	115.8920	0.000	1	115.8920	0.000	1	115.8920	0.000	1	115.8920	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:2:4:2:	4:4:2:1:	C[5]-4:C-4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	O(C[5]C[5]O[5]C)(CC[5]2H)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(OC)	C(C[5]C[5]O[5]H)2(OC[5])(H)	O(C[5]C[5]O[5]C)(CC[5]2H)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(OC){1|O<1>}	C(C[5]C[5]O[5]H)2(OC[5])(H)	120.1190	0.000	1	120.1190	0.000	1	120.1190	0.000	1	120.1190	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[3,5,5]-4:C[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[3,5,5]C[5]H)(CH3)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5]C[5]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[3,5,5]C[5]H)(CH3)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5]C[5]C)(OC)(H){4|C<4>,4|H<1>}	C(OC[5])(H)3	112.6740	0.000	1	112.6740	0.000	1	112.6740	0.000	1	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]N[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]N[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	C(OC[5])(H)3	112.5830	0.000	1	112.5830	0.000	1	112.9753	2.330	4	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]N[5]H)(CH3)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]N[5]H)(CH3)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H){1|N<3>,1|O<1>,4|C<3>}	C(OC[5])(H)3	111.0080	0.000	1	111.0080	0.000	1	112.9753	2.330	4	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]N[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]N[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(OC[5])(H)3	114.1550	0.429	2	114.1550	0.184	2	112.9753	2.330	4	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6,6]-4:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6,6]N[5]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6,6]N[5]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(OC[5])(H)3	115.2950	0.000	1	115.2950	0.000	1	115.2950	0.000	1	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]2H)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]2H)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OC)(H){1|O<1>,2|C<3>,5|C<4>}	C(OC[5])(H)3	116.2730	0.000	1	116.2730	0.000	1	116.2730	0.000	1	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C(OC[5])(H)3	114.5900	0.000	1	114.5900	0.000	1	114.5900	0.000	1	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CC)(C[5]N[5]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CC)(C[5]N[5]C)(OC)(H){1|C<3>}	C(OC[5])(H)3	114.9690	0.000	1	114.9690	0.000	1	114.2478	1.415	11	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]C)(OC)(H){1|C<3>}	C(OC[5])(H)3	113.7855	0.358	4	113.7855	0.129	4	114.2478	1.415	11	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|N<3>,2|C<4>}	C(OC[5])(H)3	113.1925	0.551	2	113.1925	0.303	2	114.2478	1.415	11	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C(OC[5])(H)3	113.2230	0.000	1	113.2230	0.000	1	114.2478	1.415	11	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]2C[5])(C[5]C[5]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]2C[5])(C[5]C[5]C)(OC)(H){3|H<1>,4|C<3>}	C(OC[5])(H)3	114.3240	0.000	1	114.3240	0.000	1	114.2478	1.415	11	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[5,5]CO)(C[5]C[5,5]N)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[5,5]CO)(C[5]C[5,5]N)(OC)(H){1|C<4>,1|N<3>}	C(OC[5])(H)3	116.3415	0.186	2	116.3415	0.035	2	114.2478	1.415	11	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H){4|C<3>}	C(OC[5])(H)3	114.2990	0.000	1	114.2990	0.000	1	114.4205	0.635	4	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H){4|H<1>}	C(OC[5])(H)3	114.4050	0.000	1	114.4050	0.000	1	114.4205	0.635	4	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:N[5]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]N[5]HS)(N[5]C[5]C)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]N[5]H)(CH3)	C[5](C[5]N[5]HS)(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>}	C(OC[5])(H)3	114.4890	1.372	2	114.4890	1.882	2	114.4205	0.635	4	114.1366	1.689	23	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]2H)(CCHH)	C[5](C[5]N[5]CC)(C[5]C[5]2)(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]2H)(CCHH)	C[5](C[5]N[5]CC)(C[5]C[5]2)(OC)(H){1|C<4>,3|C<3>}	C(OC[5])(CH3)(H)2	114.2980	0.000	1	114.2980	0.000	1	114.2980	0.000	1	114.4333	0.247	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:4:1:1:	C[5]-4:C-4:	P[5]-4:N[5]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]N[5]P[5]H)(CCHH)	C[5](P[5]C[5,6a]C[3x6]2)(N[5]C[5,6a]C)(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]N[5]P[5]H)(CCHH)	C[5](P[5]C[5,6a]C[3x6]2)(N[5]C[5,6a]C)(OC)(H){2|C<3>,6|C<4>}	C(OC[5])(CH3)(H)2	114.0180	0.000	1	114.0180	0.000	1	114.5010	0.467	2	114.4333	0.247	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:4:1:1:	C[5]-4:C-4:	P[5]-4:N[5]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]N[5]P[5]H)(CCHH)	C[5](P[5]C[5,6a]C[6]2)(N[5]C[5,6a]C[6a])(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]N[5]P[5]H)(CCHH)	C[5](P[5]C[5,6a]C[6]2)(N[5]C[5,6a]C[6a])(OC)(H){2|H<1>,4|C<3>,4|C<4>}	C(OC[5])(CH3)(H)2	114.9840	0.000	1	114.9840	0.000	1	114.5010	0.467	2	114.4333	0.247	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:4:4:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	C(OC[5])(CF3)2(H)	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){1|C<2>,1|C<3>,1|O<2>}	C(OC[5])(CF3)2(H)	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	115.7940	0.725	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:4:4:1:	C[5]-4:C-4:	C[5]-4:N[5]-3:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[5]C[5]N[5]H)(CCCH)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	C(OC[5])(CF3)2(H)	O(C[5]C[5]N[5]H)(CCCH)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C(OC[5])(CF3)2(H)	117.2430	0.000	1	117.2430	0.000	1	115.8888	0.907	4	115.7940	0.725	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:4:4:1:	C[5]-4:C-4:	C[5]-4:N[5]-3:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[5]C[5]N[5]H)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H)	C(OC[5])(CF3)2(H)	O(C[5]C[5]N[5]H)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H){1|C<3>,3|H<1>}	C(OC[5])(CF3)2(H)	115.7550	0.000	1	115.4373	0.138	3	115.8888	0.907	4	115.7940	0.725	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:4:4:1:	C[5]-4:C-4:	C[5]-4:N[5]-3:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[5]C[5]N[5]H)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H)	C(OC[5])(CF3)2(H)	O(C[5]C[5]N[5]H)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H){4|H<1>}	C(OC[5])(CF3)2(H)	115.2785	0.354	2	115.4373	0.138	3	115.8888	0.907	4	115.7940	0.725	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	2:4:4:4:	C[5]-4:C-4:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(CC3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(OC)(H)	C(OC[5])(CH3)3	O(C[5]C[5,5]C[5]H)(CC3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(OC)(H){2|C<3>,3|H<1>}	C(OC[5])(CH3)3	117.6760	0.000	1	117.6760	0.000	1	117.6760	0.000	1	117.6760	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.6120	0.000	1	113.6120	0.000	1	113.6120	0.000	1	114.6140	2.008	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	115.6160	0.000	1	115.6160	0.000	1	115.6160	0.000	1	114.6140	2.008	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	3:2:4:1:	C[5]-4:C-4:	C[5]-4:N[5]-3:O-2:H-1:	C[6a]-3:O-2:C-4:H-1:	O(C[5]C[5]N[5]H)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	O(C[5]C[5]N[5]H)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H){4|H<1>}	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	114.4255	1.283	2	114.4255	1.647	2	114.4255	1.647	2	114.4255	1.647	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	3:3:2:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:H-1:	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(OC)(H)	C(C[6a]C[6a]2)2(OC[5])(H)	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)2(OC[5])(H)	113.3250	0.430	3	113.3250	0.185	3	113.3250	0.185	3	113.7697	0.555	6	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	3:3:2:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:H-1:	O(C[5]C[5]2H)(CC[6a]2H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H)	C(C[6a]C[6a]2)2(OC[5])(H)	O(C[5]C[5]2H)(CC[6a]2H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H){2|H<1>}	C(C[6a]C[6a]2)2(OC[5])(H)	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	113.7697	0.555	6	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	3:3:2:1:	C[5]-4:C-4:	C[5]-4:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:H-1:	O(C[5]C[5]N[5]H)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H)	C(C[6a]C[6a]2)2(OC[5])(H)	O(C[5]C[5]N[5]H)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H){4|H<1>}	C(C[6a]C[6a]2)2(OC[5])(H)	114.6615	0.145	2	114.6615	0.021	2	114.6615	0.021	2	113.7697	0.555	6	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:1:	4:2:4:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C-4:O-2:C-4:H-1:	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	C(CCo2C)(OC[5])(CCHH)(H)	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){2|H<1>}	C(CCo2C)(OC[5])(CCHH)(H)	116.0305	1.228	2	116.0305	1.509	2	116.0305	1.509	2	116.0305	1.509	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:2:	2:1:1:1:	C[5]-4:C-4:	C[4,5]-4:C[5]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[4,5]C[5]O)(CH3)	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]Cl)(OC)2	C(OC[5])(H)3	O(C[5]C[4,5]C[5]O)(CH3)	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]Cl)(OC)2{1|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	C(OC[5])(H)3	115.4855	1.948	2	115.4855	3.795	2	115.4855	3.795	2	115.4946	1.448	16	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]O)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(OC)2	C(OC[5])(H)3	O(C[5]C[5,5]C[5]O)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(OC)2{1|C<4>,4|C<3>}	C(OC[5])(H)3	117.2290	0.226	2	117.2290	0.051	2	117.2290	0.051	2	115.4946	1.448	16	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[6a]-3:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[6a]O[5])(CH3)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC)	C(OC[5])(H)3	O(C[5]C[5,5]C[6a]O[5])(CH3)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C(OC[5])(H)3	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	115.4946	1.448	16	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]O)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(OC)2	C(OC[5])(H)3	O(C[5]C[5,6]C[5]O)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(OC)2{3|C<4>,4|H<1>}	C(OC[5])(H)3	115.8372	0.814	4	115.8372	0.662	4	115.8372	0.662	4	115.4946	1.448	16	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2O)(CH3)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2	C(OC[5])(H)3	O(C[5]C[5]2O)(CH3)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2{2|C<3>}	C(OC[5])(H)3	114.5778	0.847	6	114.5778	0.717	6	114.5778	0.717	6	115.4946	1.448	16	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2O[5])(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC)	C(OC[5])(H)3	O(C[5]C[5]2O[5])(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(O[5]C[5])(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(OC[5])(H)3	115.3100	0.000	1	115.3100	0.000	1	115.3100	0.000	1	115.4946	1.448	16	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-3:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]C)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]P)(COO)(OC)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]C)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]P)(COO)(OC){1|N<3>,2|C<2>,2|C<3>,2|O<1>}	C(OC[5])(H)3	118.4610	0.000	1	118.4610	0.000	1	118.4610	0.000	1	116.4947	5.155	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCO)(OC)	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCO)(OC){1|C<4>,1|O<2>}	C(OC[5])(H)3	115.3515	1.664	4	115.3515	2.770	4	116.3694	7.258	5	116.4947	5.155	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC)	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)(CHH)(OC){2|C<3>}	C(OC[5])(H)3	120.4410	0.000	1	120.4410	0.000	1	116.3694	7.258	5	116.4947	5.155	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC)	C(OC[5])(H)3	O(C[5]C[6a]C[5]2)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C[6])(C[6a]C[6a]2)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C(OC[5])(H)3	116.8760	0.000	1	116.8760	0.000	1	116.8760	0.000	1	116.4947	5.155	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]N[5]C)(CH3)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]O)(OC)	C(OC[5])(H)3	O(C[5]C[5]N[5]C)(CH3)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]O)(OC){1|C<4>,1|O<1>,1|O<2>}	C(OC[5])(H)3	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	116.4947	5.155	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:3:2:	2:3:1:1:	C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:O-2:	O-2:C-3:H-1:H-1:	O(C[5]C[5]N[5]C)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(OC)	C(OC[5])(CCH)(H)2	O(C[5]C[5]N[5]C)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(OC){1|O<1>}	C(OC[5])(CCH)(H)2	116.7520	0.000	1	116.7520	0.000	1	116.7520	0.000	1	116.7520	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:3:2:	2:4:4:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:C-3:O-2:	O-2:C-4:C-4:H-1:	O(C[5]C[5]2C)(CCCH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC)	C(OC[5])(CH3)2(H)	O(C[5]C[5]2C)(CCCH)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCH)(OC){1|O<1>,1|O<2>}	C(OC[5])(CH3)2(H)	118.0600	0.000	1	118.0600	0.000	1	118.0600	0.000	1	118.0600	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC){1|C<3>,2|C<4>,2|H<1>}	C(OC[5])(H)3	117.6890	0.000	1	117.6890	0.000	1	117.6890	0.000	1	116.9475	1.100	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC)	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC){1|C<4>,3|H<1>}	C(OC[5])(H)3	116.2060	0.000	1	116.2060	0.000	1	116.2060	0.000	1	116.9475	1.100	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:4:2:	2:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:O-2:	O-2:S-2:H-1:H-1:	O(C[5]C[5]2C)(CHHS)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC)	C(OC[5])(SC)(H)2	O(C[5]C[5]2C)(CHHS)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[5])(SC)(H)2	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:4:2:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5]2C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC)	C(OC[5])(CHHO)(H)2	O(C[5]C[5]2C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC){3|H<1>}	C(OC[5])(CHHO)(H)2	115.7025	0.209	2	115.7025	0.044	2	115.7025	0.044	2	116.0410	0.366	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:3:4:2:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5]N[5]C)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(OC)	C(OC[5])(CH3)(H)2	O(C[5]C[5]N[5]C)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(OC){1|O<1>,2|H<1>}	C(OC[5])(CH3)(H)2	116.7180	0.000	1	116.7180	0.000	1	116.7180	0.000	1	116.0410	0.366	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[3,5,6]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[3,5,6]C[5]H)(CH3)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[3,5,6]C[5]H)(CH3)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(OC)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(OC[5])(H)3	114.1170	0.000	1	114.1170	0.000	1	114.1170	0.000	1	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[4,5]C[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C(OC[5])(H)3	113.9810	0.000	1	113.9810	0.000	1	113.6681	1.121	23	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C(OC[5])(H)3	113.5410	0.363	2	113.5410	0.132	2	113.6681	1.121	23	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OC)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C(OC[5])(H)3	114.2190	0.000	1	114.2190	0.000	1	113.6681	1.121	23	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(OC[5])(H)3	111.7570	0.000	1	111.7570	0.000	1	113.6681	1.121	23	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(OC[5])(H)3	113.8930	1.418	2	113.8930	2.012	2	113.6681	1.121	23	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(OC[5])(H)3	113.8630	0.417	2	113.4366	0.816	12	113.6681	1.121	23	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[5])(H)3	113.3513	0.964	10	113.4366	0.816	12	113.6681	1.121	23	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]HO)(OC)(H){3|C<3>,3|H<1>}	C(OC[5])(H)3	114.8480	0.000	1	114.8480	0.000	1	113.6681	1.121	23	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,5]C[5]H)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]O)(OC)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C(OC[5])(H)3	114.4850	1.629	3	114.4850	2.653	3	113.6681	1.121	23	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6,6]C[5,6]H)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6,6]C[5,6]H)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C(OC[5])(H)3	112.6826	0.686	5	112.5083	0.558	6	112.5083	0.558	6	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6,6]C[5,6]H)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6,6]C[5,6]H)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6,6]H)(OC)(H){1|H<1>,1|N<4>,1|O<2>,7|C<4>}	C(OC[5])(H)3	111.6370	0.000	1	112.5083	0.558	6	112.5083	0.558	6	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6,6]C[5]H)(CH3)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6,6]C[5]H)(CH3)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,5,6,6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C(OC[5])(H)3	111.8105	0.921	2	111.8105	0.849	2	111.8105	0.849	2	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C(OC[5])(H)3	112.8010	0.000	1	112.8010	0.000	1	113.8594	11.717	10	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OC)(H){1|O<2>,3|C<4>,6|H<1>}	C(OC[5])(H)3	113.6410	0.000	1	113.6410	0.000	1	113.8594	11.717	10	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(OC[5])(H)3	111.8510	0.000	1	112.5762	0.890	6	113.8594	11.717	10	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(OC[5])(H)3	111.8940	0.000	1	112.5762	0.890	6	113.8594	11.717	10	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C(OC[5])(H)3	112.5560	0.000	1	112.5762	0.890	6	113.8594	11.717	10	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	C(OC[5])(H)3	113.0520	1.179	3	112.5762	0.890	6	113.8594	11.717	10	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C(OC[5])(H)3	123.3310	0.000	1	123.3310	0.000	1	113.8594	11.717	10	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]H)(CH3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){3|C<4>,3|H<1>}	C(OC[5])(H)3	113.3640	0.000	1	113.3640	0.000	1	113.8594	11.717	10	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,5,6]HH)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>}	C(OC[5])(H)3	112.9787	0.470	12	112.9787	0.221	12	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(H)3	112.8260	0.000	1	112.8260	0.000	1	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C(OC[5])(H)3	112.2930	0.000	1	112.2930	0.000	1	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|O<2>,3|C<4>}	C(OC[5])(H)3	113.0020	0.000	1	113.0020	0.000	1	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OC)(H){2|H<1>}	C(OC[5])(H)3	113.1545	0.218	2	113.1545	0.048	2	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C(OC[5])(H)3	113.0207	0.998	16	113.0207	0.996	16	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C(OC[5])(H)3	113.0880	0.713	4	113.0880	0.508	4	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C(OC[5])(H)3	111.9330	0.072	2	111.9330	0.005	2	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)2(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)2(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C(OC[5])(H)3	112.5977	0.941	12	112.5977	0.886	12	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]CN)(OC)(H){1|C<4>,1|O<1>}	C(OC[5])(H)3	113.4980	2.809	2	113.4980	7.888	2	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(OC)(H){4|C<3>,4|H<1>}	C(OC[5])(H)3	113.4010	0.031	2	113.4010	0.001	2	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(OC[5])(H)3	112.8240	0.643	2	112.8240	0.414	2	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C(OC[5])(H)3	114.0890	0.000	1	114.0890	0.000	1	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C(OC[5])(H)3	112.7990	0.000	1	112.7990	0.000	1	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[5])(H)3	112.4630	0.000	1	112.4630	0.000	1	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(OC[5])(H)3	113.7380	0.000	1	113.7380	0.000	1	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|F<1>,2|C<3>}	C(OC[5])(H)3	112.1775	0.302	2	112.1307	0.052	3	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]2H)(CH3)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>}	C(OC[5])(H)3	112.0370	0.000	1	112.1307	0.052	3	112.8879	0.736	64	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:S[5]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[5]C[5]S[5]H)(CH3)	C[5](C[5]C[4,5]CC)(S[5]C[4,5]OO)(OC)(H)	C(OC[5])(H)3	O(C[5]C[5]S[5]H)(CH3)	C[5](C[5]C[4,5]CC)(S[5]C[4,5]OO)(OC)(H){1|C<3>,1|C<4>,2|O<2>}	C(OC[5])(H)3	113.6060	0.000	1	113.6060	0.000	1	113.6060	0.000	1	113.1232	1.913	107	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5]-4:C-4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5]C[5,5,6]C[5]H)(CHHO)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CO)(OC)(H)	C(OC[5])(OC)(H)2	O(C[5]C[5,5,6]C[5]H)(CHHO)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CO)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C(OC[5])(OC)(H)2	113.0210	0.000	1	113.0210	0.000	1	113.0210	0.000	1	114.5511	0.692	10	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CC)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[5])(CC)(H)2	114.1690	0.000	1	114.1690	0.000	1	114.1690	0.000	1	114.5511	0.692	10	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CHHO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H)	C(OC[5])(OC)(H)2	O(C[5]C[5,5]C[5]H)(CHHO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[5])(OC)(H)2	113.9530	0.000	1	113.9530	0.000	1	114.8010	1.438	2	114.5511	0.692	10	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CHHO)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H)	C(OC[5])(OC)(H)2	O(C[5]C[5,5]C[5]H)(CHHO)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HO)(OC)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C(OC[5])(OC)(H)2	115.6490	0.000	1	115.6490	0.000	1	114.8010	1.438	2	114.5511	0.692	10	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5]-4:C-4:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5]C[5,6,6]2H)(CHHO)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H)	C(OC[5])(OC)(H)2	O(C[5]C[5,6,6]2H)(CHHO)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(OC)(H){6|H<1>,7|C<4>}	C(OC[5])(OC)(H)2	114.7040	0.000	1	114.7040	0.000	1	114.7040	0.000	1	114.5511	0.692	10	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5]-4:C-4:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5]C[5,6,6]C[5]H)(CHHO)	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H)	C(OC[5])(OC)(H)2	O(C[5]C[5,6,6]C[5]H)(CHHO)	C[5](C[5,6,6]C[3,6,6]C[5,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<2>,4|C<4>,5|H<1>}	C(OC[5])(OC)(H)2	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	114.5511	0.692	10	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5]C[5,6]2H)(CHHO)	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H)	C(OC[5])(OC)(H)2	O(C[5]C[5,6]2H)(CHHO)	C[5](C[5,6]C[5,6]C[6]H)2(OC)(H){1|C<2>,3|H<1>,6|C<4>}	C(OC[5])(OC)(H)2	115.2680	0.000	1	115.2680	0.000	1	115.2680	0.000	1	114.5511	0.692	10	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CHHO)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H)	C(OC[5])(OC)(H)2	O(C[5]C[5,6]C[5]H)(CHHO)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]O[5]HO)(OC)(H){5|C<4>}	C(OC[5])(OC)(H)2	113.9600	0.000	1	113.9600	0.000	1	114.8080	1.438	2	114.5511	0.692	10	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CHHO)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H)	C(OC[5])(OC)(H)2	O(C[5]C[5,6]C[5]H)(CHHO)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C(OC[5])(OC)(H)2	115.6560	0.000	1	115.6560	0.000	1	114.8080	1.438	2	114.5511	0.692	10	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[5]C[5]2H)(CHHO)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C(OC[5])(OC)(H)2	O(C[5]C[5]2H)(CHHO)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C(OC[5])(OC)(H)2	114.3750	0.000	1	114.3750	0.000	1	114.3750	0.000	1	114.5511	0.692	10	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:3:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-3:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CCH)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[5])(CCH)(H)2	113.5300	0.000	1	113.5300	0.000	1	113.5300	0.000	1	113.5300	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[5])(CCHH)(H)2	113.7873	0.190	4	113.7873	0.036	4	113.0881	0.536	9	113.0471	0.548	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CHHN)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[5])(CHHN)(H)2	111.8270	0.000	1	111.8270	0.000	1	113.0881	0.536	9	113.0471	0.548	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C(OC[5])(CCHH)(H)2	O(C[5]C[5,5]C[5]H)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<4>}	C(OC[5])(CCHH)(H)2	112.7043	0.120	4	112.7043	0.014	4	113.0881	0.536	9	113.0471	0.548	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(OC[5])(CH3)(H)2	112.1180	0.000	1	112.1180	0.000	1	112.8625	1.109	2	113.0471	0.548	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H)	C(OC[5])(CH3)(H)2	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(OC)(H){1|H<1>,2|C<4>}	C(OC[5])(CH3)(H)2	113.6070	0.000	1	113.6070	0.000	1	112.8625	1.109	2	113.0471	0.548	11	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:4:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CCHO)(CH3)(H)	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(CCHO)(CH3)(H)	116.4210	0.000	1	116.4210	0.000	1	118.5285	8.883	2	118.5285	8.883	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:4:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CCHH)(CCHO)(H)	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C(OC[5])(CCHH)(CCHO)(H)	120.6360	0.000	1	120.6360	0.000	1	118.5285	8.883	2	118.5285	8.883	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:4:3:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-3:	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C(OC[5])(CH3)2(CCH)	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C(OC[5])(CH3)2(CCH)	115.4810	0.000	1	115.4810	0.000	1	115.4810	0.000	1	115.4810	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:C-4:	C[4,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[4,5]C[5]H)(CC3)	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)3	O(C[5]C[4,5]C[5]H)(CC3)	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]HH)(OC)(H){2|C<3>,3|H<1>}	C(OC[5])(CH3)3	117.7500	0.000	1	117.7500	0.000	1	117.7500	0.000	1	117.7894	1.174	18	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(CC3)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)3	O(C[5]C[5,5]C[5]H)(CC3)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C(OC[5])(CH3)3	117.7815	0.377	2	117.7815	0.142	2	117.7815	0.142	2	117.7894	1.174	18	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(CC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)3	O(C[5]C[5,6]C[5]H)(CC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C(OC[5])(CH3)3	118.2079	0.910	9	118.2079	0.827	9	118.2079	0.827	9	117.7894	1.174	18	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	C(OC[5])(CH3)3	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[5])(CH3)3	116.8435	0.172	2	116.8435	0.030	2	117.1710	1.864	6	117.7894	1.174	18	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)3	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	C(OC[5])(CH3)3	118.7970	0.000	2	118.7970	0.000	2	117.1710	1.864	6	117.7894	1.174	18	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C(OC[5])(CCHH)(CH3)2	O(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C(OC[5])(CCHH)(CH3)2	115.8725	0.646	2	115.8725	0.417	2	117.1710	1.864	6	117.7894	1.174	18	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[4,5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[4,5]C[5,5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2O[5])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[4,5]C[5,5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2O[5])(OC)(H){1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.7950	0.000	1	112.7950	0.000	1	112.7950	0.000	1	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[5]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C(C[5]C[5]N[5])(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5]N[5])(OC[5])(H)2	113.8350	0.000	1	113.8350	0.000	1	113.8350	0.000	1	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C(C[5a]C[5a]N[5a])(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(C[5a]C[5a]N[5a])(OC[5])(H)2	115.4100	2.188	3	115.4100	4.785	3	114.0866	4.752	7	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(C[5a]C[5a]N[5a])(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5a]C[5a]N[5a])(OC[5])(H)2	111.8635	0.148	2	111.8635	0.022	2	114.0866	4.752	7	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(C[5a]C[5a]O[5a])(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5a]C[5a]O[5a])(OC[5])(H)2	112.9700	0.000	1	112.9700	0.000	1	114.0866	4.752	7	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(C[5a]N[5a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5a]N[5a]2)(OC[5])(H)2	115.6790	0.000	1	115.6790	0.000	1	114.0866	4.752	7	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[3,5]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.1540	0.000	1	113.1540	0.000	1	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	114.7180	0.000	1	114.7180	0.000	1	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.9100	0.000	1	112.9100	0.000	1	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]C)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]C)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.4330	0.000	1	113.4330	0.000	1	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.8100	0.000	1	112.8100	0.000	1	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.4605	3.484	2	112.4605	12.138	2	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	111.7880	0.000	1	111.7880	0.000	1	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.2060	0.000	1	113.8137	0.392	9	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.9370	0.000	1	113.8137	0.392	9	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.7420	0.758	5	113.8137	0.392	9	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	114.2350	0.272	2	113.8137	0.392	9	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.9820	0.000	1	113.1097	0.259	3	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.1735	0.702	2	113.1097	0.259	3	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	114.6620	0.000	1	113.3641	2.812	18	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.2877	1.696	17	113.3641	2.812	18	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5a]C[5]N[5])(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	115.4820	0.000	1	115.4820	0.000	1	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]C[5,6]N[5,5]H)(C[5]C[5]HO)(OC)(H){1|H<1>,2|S<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.4895	0.545	2	112.4895	0.297	2	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.4200	0.000	1	113.1850	0.110	2	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.9500	0.000	1	113.1850	0.110	2	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	117.9080	0.000	1	115.8590	8.397	2	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.8100	0.000	1	115.8590	8.397	2	113.4775	2.247	45	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	111.5160	0.000	1	112.0315	0.531	2	112.3768	0.497	6	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HS)(OC)(H){1|Si<4>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.5470	0.000	1	112.0315	0.531	2	112.3768	0.497	6	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OC)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.1205	0.193	2	113.1205	0.037	2	112.3768	0.497	6	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	111.6220	0.000	1	111.6220	0.000	1	112.3768	0.497	6	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,6]C[5]H)(CC[6a]HH)	C[5](C[5,6]O[5,6]O[6]H)(C[5]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.3350	0.000	1	112.3350	0.000	1	112.3768	0.497	6	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.6820	0.000	1	113.2962	1.444	6	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.4190	1.301	5	113.2962	1.444	6	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,6]CH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|S<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	114.1350	0.000	1	114.1350	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OC)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.4740	0.000	1	113.4740	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OC)(H){1|O<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	115.2360	0.000	1	115.2360	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.1545	1.727	2	112.1545	2.984	2	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	115.6190	0.000	1	115.6190	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]N[5]CO)(OC)(H){1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.7170	0.000	1	112.7170	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	115.0090	0.000	1	115.0090	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.5360	0.000	1	112.5360	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.7177	0.890	3	113.7177	0.792	3	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]HS)(OC)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	115.5770	0.000	1	115.5770	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.8780	0.000	1	112.8780	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.9630	0.000	1	113.2805	0.202	2	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.5980	0.000	1	113.2805	0.202	2	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.8930	1.344	2	112.8930	1.805	2	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	114.1380	0.000	1	114.1380	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.6890	0.550	2	112.6890	0.303	2	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	112.8650	0.000	1	114.8602	2.008	6	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	114.1000	0.000	1	114.8602	2.008	6	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	115.5490	1.093	4	114.8602	2.008	6	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	117.0790	0.000	1	116.8170	0.137	2	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){2|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	116.5550	0.000	1	116.8170	0.137	2	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	115.6180	0.000	1	115.6180	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	114.6150	0.000	1	114.6150	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]HO)2(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)2	114.9030	0.000	1	114.9030	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.4740	0.000	1	113.4740	0.000	1	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.9280	0.000	1	113.7090	0.096	2	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.4900	0.000	1	113.7090	0.096	2	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(H)2	113.8385	0.344	2	113.8385	0.119	2	113.9717	1.882	43	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	N[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2H)(CN[6a]HH)	C[5](C[5]C[5,6a]HH)2(OC)(H)	C(N[6a]C[6a,6a]C[6a])(OC[5])(H)2	O(C[5]C[5]2H)(CN[6a]HH)	C[5](C[5]C[5,6a]HH)2(OC)(H){2|C<3>}	C(N[6a]C[6a,6a]C[6a])(OC[5])(H)2	114.2540	0.000	1	114.2540	0.000	1	114.2540	0.000	1	113.6637	2.203	104	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:2:4:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:C-4:H-1:	O(C[5]C[5]2H)(CC[6a]CH)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	O(C[5]C[5]2H)(CC[6a]CH)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	112.6670	0.000	1	112.6670	0.000	1	112.6670	0.000	1	112.6670	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	3:3:2:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:H-1:	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a,6a]C[6a])2(OC[5])(H)	O(C[5]C[5,6]C[5]H)(CC[6a]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C(C[6a]C[6a,6a]C[6a])2(OC[5])(H)	112.0200	0.000	1	112.0200	0.000	1	112.0200	0.000	1	112.0200	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]H)(CC[5]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C(C[5]C[5]O[5]H)(OC[5])(H)2	O(C[5]C[5,5]C[5]H)(CC[5]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(OC[5])(H)2	114.8410	0.000	1	114.8410	0.000	1	114.8410	0.000	1	114.0760	0.891	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	4:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H)	C(CN[5]HH)(OC[5])(H)2	O(C[5]C[5]2H)(CCHH)	C[5](C[5]C[6a]C[5]2)(C[5]C[5]HH)(OC)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C(CN[5]HH)(OC[5])(H)2	113.6935	0.951	2	113.6935	0.905	2	113.6935	0.905	2	114.0760	0.891	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:O-2:C-4:H-1:	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C(CBrCH)(OC[5])(CCHH)(H)	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<2>,1|H<1>}	C(CBrCH)(OC[5])(CCHH)(H)	119.9860	0.000	1	117.0660	7.183	6	117.0660	7.183	6	117.0660	7.183	6	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C-4:O-2:C-4:H-1:	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C(CBrCH)(OC[5])(CCHH)(H)	O(C[5]C[5]2H)(CCCH)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C(CBrCH)(OC[5])(CCHH)(H)	116.4820	2.534	5	117.0660	7.183	6	117.0660	7.183	6	117.0660	7.183	6	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5,5,6,6]-4:C[5]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5,6,6]C[5]O)(CH3)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(OC)2	C(OC[5])(H)3	O(C[5]C[5,5,6,6]C[5]O)(CH3)	C[5](C[5,5,6,6]C[5,5,3x6]C[6,6]C[5])(C[5]C[5,6,6]HH)(OC)2{1|O<2>,4|C<4>,5|H<1>}	C(OC[5])(H)3	115.2850	1.177	2	115.2850	1.384	2	115.2850	1.384	2	115.3141	0.413	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2	C(OC[5])(H)3	O(C[5]C[5,5]C[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2{1|C<3>,1|O<2>,3|H<1>}	C(OC[5])(H)3	115.5120	0.000	1	115.5120	0.000	1	115.3233	0.041	3	115.3141	0.413	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,5]C[5]O)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)2	C(OC[5])(H)3	O(C[5]C[5,5]C[5]O)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)2{1|H<1>,2|C<4>}	C(OC[5])(H)3	115.2290	0.171	2	115.2290	0.029	2	115.3233	0.041	3	115.3141	0.413	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:C-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	C(OC[5])(H)3	114.3780	0.000	1	114.3780	0.000	1	114.3780	0.000	1	115.3141	0.413	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C-4:O[5]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC)	C(OC[5])(H)3	O(C[5]C[5]O[5]C)(CH3)	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(H)3	115.9930	0.000	1	115.9930	0.000	1	115.9930	0.000	1	115.3141	0.413	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2	C(OC[5])(H)3	O(C[5]C[5]2O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2{2|H<1>}	C(OC[5])(H)3	115.6020	0.000	1	115.6020	0.000	1	115.6020	0.000	1	115.3141	0.413	8	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:2:	2:4:1:1:	C[5]-4:C-4:	C[3]-4:C[5]-4:O[5]-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[3]C[5]O[5])(CCHH)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC)	C(OC[5])(CH3)(H)2	O(C[5]C[3]C[5]O[5])(CCHH)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC){3|C<4>,3|H<1>}	C(OC[5])(CH3)(H)2	114.0180	0.000	1	114.0180	0.000	1	114.0180	0.000	1	116.5476	3.519	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:2:	2:4:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5,5]C[5]O)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2	C(OC[5])(CCHH)(H)2	O(C[5]C[5,5]C[5]O)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OC)2{1|C<3>,1|O<2>,3|H<1>}	C(OC[5])(CCHH)(H)2	118.5410	0.000	1	118.5410	0.000	1	117.3850	2.787	3	116.5476	3.519	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:2:	2:4:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5,5]C[5]O)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(OC)2	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]C[5]O)(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]ClC)(OC)2{1|C<4>,3|H<1>,3|O<2>}	C(OC[5])(CH3)(H)2	116.8070	1.889	2	116.8070	3.570	2	117.3850	2.787	3	116.5476	3.519	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:2:2:	2:4:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5]2O)(CCHH)	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2	C(OC[5])(CCHH)(H)2	O(C[5]C[5]2O)(CCHH)	C[5](C[5]C[5]CH)(C[5]C[5]HS)(OC)2{2|H<1>}	C(OC[5])(CCHH)(H)2	116.5650	0.000	1	116.5650	0.000	1	116.5650	0.000	1	116.5476	3.519	5	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OC)	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OC){1|C<4>,1|H<1>}	C(OC[5])(H)3	114.6490	0.000	1	114.6490	0.000	1	114.5625	0.015	2	114.5625	0.015	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:3:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(COO)(OC)	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(COO)(OC){1|C<4>,1|H<1>}	C(OC[5])(H)3	114.4760	0.000	1	114.4760	0.000	1	114.5625	0.015	2	114.5625	0.015	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:3:2:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:C-3:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2C)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(OC)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2C)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(COO)(OC){1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[5])(H)2	118.0600	0.000	2	118.0600	0.000	2	118.0600	0.000	2	118.0600	0.000	2	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OC)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OC){2|C<4>,5|H<1>}	C(OC[5])(H)3	117.0070	0.000	1	117.0070	0.000	1	116.5615	0.397	2	116.5810	0.200	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC)	C(OC[5])(H)3	O(C[5]C[5,6]C[5]C)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC){3|C<4>,4|H<1>}	C(OC[5])(H)3	116.1160	0.000	1	116.1160	0.000	1	116.5615	0.397	2	116.5810	0.200	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:4:2:	2:1:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OC)	C(OC[5])(H)3	O(C[5]C[5]2C)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OC){1|C<3>,1|H<1>,1|S<4>}	C(OC[5])(H)3	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	116.5810	0.200	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:4:2:	2:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:C-4:O-2:	O-2:O-2:H-1:H-1:	O(C[5]C[5]2C)(CHHO)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OC)	C(OC[5])(OC)(H)2	O(C[5]C[5]2C)(CHHO)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OC){1|O<1>,2|H<1>}	C(OC[5])(OC)(H)2	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:4:2:	2:4:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5,6]-4:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[5]C[5,5]C[5,6]C)(CCHH)	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OC)	C(OC[5])(CH3)(H)2	O(C[5]C[5,5]C[5,6]C)(CCHH)	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OC){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C(OC[5])(CH3)(H)2	118.1990	0.000	1	118.1990	0.000	1	118.1990	0.000	1	118.1990	0.000	1	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:4:2:	3:2:1:1:	C[5]-4:C-4:	C[5,5]-4:C[5]-4:C-4:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5,5]C[5]C)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5,5]C[5]C)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6a]C[6a]2)(OC[5])(H)2	116.0750	0.000	1	116.0750	0.000	1	116.0750	0.000	1	117.0160	4.219	3	114.3970	4.653	641	114.7524	4.652	916
893	474	490	0:SP3_SP3_SP3	O	C[5]	C	4:4:	4:4:4:2:	3:2:1:1:	C[5]-4:C-4:	C[5]-4:C[5]-4:C-4:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[5]C[5]2C)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(OC)	C(C[6a]C[6a]2)(OC[5])(H)2	O(C[5]C[5]2C)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(OC){1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(OC[5])(H)2	117.4865	2.666	2	117.4865	7.110	2	117.4865	7.110	2	117.0160	4.219	3	114.3970	4.653	641	114.7524	4.652	916
893	474	542	0:SP3_SP2_SP3	O	C[5]	N[5]	4:3:	3:3:2:4:	3:3:2:	C[5]-4:N[5]-3:	C[5]-3:C[5]-3:O-2:C-4:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2C)(N[5]C[5]2)	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3)	N[5](C[5]C[5,6a]O)2(OC[5])	O(C[5]C[5]2C)(N[5]C[5]2)	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3){1|C<3>}	N[5](C[5]C[5,6a]O)2(OC[5]){2|C<3>}	111.7240	0.539	2	111.7240	0.290	2	111.7240	0.290	2	111.7240	0.290	2	111.4977	0.299	3	111.4977	0.299	3
893	474	542	0:SP3_SP2_SP3	O	C[5]	N[5]	4:3:	4:4:2:1:	3:3:2:	C[5]-4:N[5]-3:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2H)(N[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H)	N[5](C[5]C[5,6a]O)2(OC[5])	O(C[5]C[5]2H)(N[5]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(ON[5])(H){2|C<3>}	N[5](C[5]C[5,6a]O)2(OC[5]){2|C<3>}	111.0450	0.000	1	111.0450	0.000	1	111.0450	0.000	1	111.0450	0.000	1	111.4977	0.299	3	111.4977	0.299	3
893	474	643	0:SP2_SP2_SP3	O	C[5,6]	C[6a]	4:3:	3:4:2:2:	3:3:2:	C[5,6]-4:C[6a]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[5,6]){1|C<3>,2|C<4>}	118.0330	0.000	1	118.0330	0.000	1	118.0330	0.000	1	118.0330	0.000	1	117.1453	0.399	7	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5,6]	C[6a]	4:3:	4:4:2:1:	3:2:2:	C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]N[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]N[6a])	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6a])(H){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[5,6]){1|H<1>,2|C<3>}	116.9973	0.543	6	116.9973	0.295	6	116.9973	0.295	6	116.9973	0.295	6	117.1453	0.399	7	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	2:2:2:2:	3:3:2:	C[6a]-3:C[5]-4:	O[5]-2:O[5]-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]O[5]2O)	C[5](O[5]C[5,6a])2(OC[6a])2	C[6a](C[6a]C[6a]F)2(OC[5])	O(C[6a]C[6a]2)(C[5]O[5]2O)	C[5](O[5]C[5,6a])2(OC[6a])2{2|C<3>}	C[6a](C[6a]C[6a]F)2(OC[5]){1|C<3>,2|F<1>}	116.3085	1.600	2	116.3085	2.561	2	117.0020	1.180	6	117.0020	1.180	6	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	2:2:2:2:	3:3:2:	C[6a]-3:C[5]-4:	O[5]-2:O[5]-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]O[5]2O)	C[5](O[5]C[5,6a])2(OC[6a])2	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[6a]C[6a]2)(C[5]O[5]2O)	C[5](O[5]C[5,6a])2(OC[6a])2{2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	117.3487	0.795	4	117.3487	0.633	4	117.0020	1.180	6	117.0020	1.180	6	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	2:2:2:4:	3:3:2:	C[6a]-3:C[5]-4:	N[5]-2:O[5]-2:O-2:C-4:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5])	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5]){1|H<1>,4|C<3>}	120.6005	0.080	2	120.6005	0.006	2	120.4883	0.041	3	120.4883	0.041	3	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	2:2:2:4:	3:3:2:	C[6a]-3:C[5]-4:	N[5]-2:O[5]-2:O-2:C-4:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5])	O(C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5]C)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5]){1|H<1>,4|C<3>}	120.2640	0.000	1	120.2640	0.000	1	120.4883	0.041	3	120.4883	0.041	3	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-3:O[5]-2:O-2:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5])	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)	C[5](C[5]C[6a]N[5])(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC[5]){1|H<1>,4|C<3>}	119.2513	0.066	3	119.2513	0.004	3	119.2513	0.004	3	119.2513	0.004	3	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	3:3:2:1:	3:2:2:	C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O-2:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(OC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[5])	O(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]2H)	C[5](C[5,6a]C[5,6a]C[6a])2(OC[6a])(H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[5]){1|H<1>,4|C<3>}	117.9390	0.000	1	117.9390	0.000	1	117.9390	0.000	1	117.9390	0.000	1	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	3:3:2:2:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2O)	C[5](C[5]C[5,6a]O)2(OC[6a])2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]2O)	C[5](C[5]C[5,6a]O)2(OC[6a])2{2|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5]){1|H<1>,4|C<3>}	115.1790	0.000	1	115.1790	0.000	1	116.3306	0.770	9	116.3306	0.770	9	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	3:3:2:2:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2O)	C[5](C[5]C[5,6a]O)2(OC[6a])2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]2O)	C[5](C[5]C[5,6a]O)2(OC[6a])2{2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[5]){2|H<1>,3|C<3>}	116.4745	0.816	8	116.4745	0.667	8	116.3306	0.770	9	116.3306	0.770	9	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:3:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC[6a])(H){2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[5]){2|Cl<1>,1|C<3>}	117.9030	0.000	1	117.9030	0.000	1	119.1070	2.899	2	119.1070	2.899	2	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:3:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC[6a])(H){1|O<1>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	120.3110	0.000	1	120.3110	0.000	1	119.1070	2.899	2	119.1070	2.899	2	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:3:3:2:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]3)	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]3)	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	119.5675	0.541	2	119.5675	0.293	2	119.5675	0.293	2	119.5675	0.293	2	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:4:2:1:	3:2:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(OC[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[5])	O(C[6a]C[6a]N[6a])(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(OC[6a])(H){4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[5]){1|C<3>,1|C<4>,1|O<2>}	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[5])	O(C[6a]C[5a,6a]C[6a])(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[5]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.1290	0.000	1	116.1290	0.000	1	116.1290	0.000	1	117.4761	4.730	21	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(OC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC[5])	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(OC[6a])(H){4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC[5]){2|H<1>,3|C<3>}	116.4267	2.450	4	116.4267	6.003	4	116.0638	4.240	6	117.4761	4.730	21	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(OC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[5])	O(C[6a]C[6a,6a]C[6a])(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(OC[6a])(H){4|H<1>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[5]){1|H<1>,3|C<3>}	115.3380	1.269	2	115.3380	1.609	2	116.0638	4.240	6	117.4761	4.730	21	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)2(OC[6a])(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<2>,1|C<3>,1|H<1>}	118.3380	0.000	1	118.3380	0.000	1	118.1776	4.056	14	117.4761	4.730	21	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC[6a])(H){4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5]){1|C<3>,2|H<1>}	119.1370	0.000	1	119.1370	0.000	1	118.1776	4.056	14	117.4761	4.730	21	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5]){1|C<3>,1|H<1>,1|N<3>}	115.2310	0.383	2	115.2310	0.147	2	118.1776	4.056	14	117.4761	4.730	21	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	117.9337	1.672	3	117.9337	2.795	3	118.1776	4.056	14	117.4761	4.730	21	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HH)2(OC[6a])(H){4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5]){1|C<3>,1|C<4>,1|H<1>}	115.7650	0.000	1	115.7650	0.000	1	118.1776	4.056	14	117.4761	4.730	21	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OC[6a])(H){1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	118.8010	0.000	1	118.8010	0.000	1	118.1776	4.056	14	117.4761	4.730	21	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC[6a])(H){1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	119.2943	1.761	4	119.2943	3.103	4	118.1776	4.056	14	117.4761	4.730	21	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC[6a])(H){2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	121.0050	0.000	1	121.0050	0.000	1	118.1776	4.056	14	117.4761	4.730	21	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	4:3:	3:2:2:2:	3:3:2:	C[5]-4:C[6a]-3:	C[5,6]-3:O[5]-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5,6]O[5]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC[6a])2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5])	O(C[5]C[5,6]O[5]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(OC[6a])2{1|C<3>,1|O<1>,3|C<4>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5]){1|H<1>,4|C<3>}	117.9265	5.690	2	117.9265	32.377	2	117.9265	32.377	2	117.9265	32.377	2	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	4:3:	3:3:3:2:	3:3:2:	C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	116.0260	0.000	1	116.0260	0.000	1	116.0260	0.000	1	116.0260	0.000	1	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	4:3:	3:4:2:1:	3:3:2:	C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC[6a])(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	119.7285	1.326	2	119.7285	1.758	2	118.2272	2.352	5	118.2272	2.352	5	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	4:3:	3:4:2:1:	3:3:2:	C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[5])	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OC[6a])(H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[5]){1|Br<1>,1|C<3>}	117.4910	0.000	1	117.4910	0.000	1	118.2272	2.352	5	118.2272	2.352	5	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	4:3:	3:4:2:1:	3:3:2:	C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6a])(H){1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	117.0940	0.174	2	117.0940	0.030	2	118.2272	2.352	5	118.2272	2.352	5	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[5]-4:C[6a]-3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC[6a])(H){1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	117.0300	0.000	1	117.0300	0.000	1	114.8580	9.435	2	115.6373	6.540	3	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[5]-4:C[6a]-3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[5])	O(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OC[6a])(H){1|H<1>,1|O<2>,5|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[5]){1|C<3>,2|H<1>}	112.6860	0.000	1	112.6860	0.000	1	114.8580	9.435	2	115.6373	6.540	3	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[5]-4:C[6a]-3:	C[5]-4:O[5]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5]O[5]H)(C[6a]C[6a]2)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC[5])	O(C[5]C[5]O[5]H)(C[6a]C[6a]2)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC[5]){1|C<3>,1|C<4>,1|O<2>}	117.1960	0.000	1	117.1960	0.000	1	117.1960	0.000	1	115.6373	6.540	3	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	4:3:	4:4:2:1:	3:3:2:	C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	118.5640	0.000	1	112.4811	16.181	7	112.4811	16.181	7	112.4811	16.181	7	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	4:3:	4:4:2:1:	3:3:2:	C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,3|H<1>,5|C<4>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	111.0490	2.790	2	112.4811	16.181	7	112.4811	16.181	7	112.4811	16.181	7	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	4:3:	4:4:2:1:	3:3:2:	C[5]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[5])	O(C[5]C[5,6]2H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)2(OC[6a])(H){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	111.6765	3.899	4	112.4811	16.181	7	112.4811	16.181	7	112.4811	16.181	7	117.0835	7.765	67	117.0893	7.054	74
893	474	643	0:SP2_SP2_SP3	O	C[5]	C[6a]	4:3:	4:4:2:4:	3:3:2:	C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-4:O-2:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC[6a])(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5])	O(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC[6a])(CH3){1|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[5]){1|C<3>,1|C<4>,1|O<2>}	116.8240	0.000	1	116.8240	0.000	1	116.8240	0.000	1	116.8240	0.000	1	117.0835	7.765	67	117.0893	7.054	74
893	474	818	0:SP2_SP2_SP3	O	C[5,5]	C[5]	4:3:	4:4:2:2:	3:3:2:	C[5,5]-4:C[5]-3:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	C[5]-3:C[5]-3:O-2:	O(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(OC[5])	C[5](C[5]C[5]C)2(OC[5,5])	O(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(OC[5]){1|C<4>,1|O<1>,5|H<1>}	C[5](C[5]C[5]C)2(OC[5,5]){4|H<1>}	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	116.0962	10.972	4
893	474	818	0:SP2_SP2_SP3	O	C[5]	C[5]	3:4:	3:3:2:2:	3:3:2:	C[5]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	C[5,6]-3:C[5]-3:O-2:	O(C[5]C[5,6]C[5])(C[5]C[5,6a]2O)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OC)	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5])	O(C[5]C[5,6]C[5])(C[5]C[5,6a]2O)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OC){1|C<4>,5|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]O)(OC[5]){1|C<4>,2|C<3>,2|O<2>}	116.6195	0.629	2	116.6195	0.395	2	116.6195	0.395	2	116.6195	0.395	2	114.9493	8.566	3	116.0962	10.972	4
893	474	818	0:SP2_SP2_SP3	O	C[5]	C[5]	4:3:	3:3:2:2:	4:3:2:	C[5]-4:C[5]-3:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	C[5,6]-4:C[5,6]-3:O-2:	O(C[5]C[5,6a]2O)(C[5]C[5,6]2)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OH)	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,6,6]C[5,6])(OC[5])	O(C[5]C[5,6a]2O)(C[5]C[5,6]2)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OH){2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,6,6]C[5,6])(OC[5]){1|O<2>,2|C<4>,5|C<3>}	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	114.9493	8.566	3	116.0962	10.972	4
893	474	856	0:SP3_SP3_SP3	O	C[5,6]	N[6]	4:3:	4:4:2:1:	4:4:2:	C[5,6]-4:N[6]-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(N[6]C[6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(N[6]C[6]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(ON[6])(H){1|C<4>,5|H<1>}	N[6](C[6]C[6]CC)2(OC[5,6]){1|C<4>,4|H<1>}	111.6965	0.097	2	111.6965	0.009	2	111.6965	0.009	2	111.6965	0.009	2	111.6965	0.009	2	112.2408	3.837	6
893	474	856	0:SP3_SP3_SP3	O	C[5]	N[6]	4:3:	4:3:2:1:	4:4:2:	C[5]-4:N[6]-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:	O(C[5]C[5]2H)(N[6]C[6]2)	C[5](C[5]C[5]HH)(C[5]N[5]O)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC[5])	O(C[5]C[5]2H)(N[6]C[6]2)	C[5](C[5]C[5]HH)(C[5]N[5]O)(ON[6])(H){1|H<1>,2|C<4>}	N[6](C[6]C[6]CC)2(OC[5]){1|C<4>,4|H<1>}	111.3193	0.772	3	111.3193	0.596	3	111.3193	0.596	3	111.3193	0.596	3	112.5130	6.096	4	112.2408	3.837	6
893	474	856	0:SP3_SP3_SP3	O	C[5]	N[6]	4:3:	4:3:2:3:	4:4:2:	C[5]-4:N[6]-3:	C[5]-4:C[5]-3:O-2:C-3:	C[6]-4:C[6]-4:O-2:	O(C[5]C[5]2C)(N[6]C[6]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(ON[6])(CNO)	N[6](C[6]C[6]CC)2(OC[5])	O(C[5]C[5]2C)(N[6]C[6]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(ON[6])(CNO){2|C<3>}	N[6](C[6]C[6]CC)2(OC[5]){1|C<4>,4|H<1>}	116.0940	0.000	1	116.0940	0.000	1	116.0940	0.000	1	116.0940	0.000	1	112.5130	6.096	4	112.2408	3.837	6
893	474	880	0:SP3_SP3_SP3	O	C[5,5,6]	Si	4:4:	4:4:2:2:	2:4:4:4:	C[5,5,6]-4:Si-4:	C[3x5,6]-4:C[5,5]-4:O[5,6]-2:O-2:	O-2:C-4:C-4:C-4:	O(C[5,5,6]C[3x5,6]C[5,5]O[5,6])(SiC3)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]2)(C[5,5]C[5,5,6]CH)(O[5,6]C[5,6])(OSi)	Si(OC[5,5,6])(CCCH)3	O(C[5,5,6]C[3x5,6]C[5,5]O[5,6])(SiC3)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]2)(C[5,5]C[5,5,6]CH)(O[5,6]C[5,6])(OSi){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	Si(OC[5,5,6])(CCCH)3	137.8070	0.000	1	137.8070	0.000	1	137.8070	0.000	1	137.8070	0.000	1	137.8070	0.000	1	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,5]	Si	4:4:	4:3:2:2:	2:4:4:4:	C[5,5]-4:Si-4:	C[5,5]-4:C[5]-3:O[5]-2:O-2:	O-2:C-4:C-4:C-4:	O(C[5,5]C[5,5]C[5]O[5])(SiC3)	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi)	Si(OC[5,5])(CH3)3	O(C[5,5]C[5,5]C[5]O[5])(SiC3)	C[5,5](C[5,5]C[5]2N)(C[5]C[5]H)(O[5]C[5])(OSi){2|C<4>,5|H<1>}	Si(OC[5,5])(CH3)3	127.1960	0.000	1	127.1960	0.000	1	127.1960	0.000	1	127.1960	0.000	1	131.1738	32.616	4	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5,5]-4:Si-4:	C[3x5,6]-4:C[3x5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5,5]C[3x5,6]2H)(SiC3)	C[5,5](C[3x5,6]C[3x5,6]2H)2(OSi)(H)	Si(OC[5,5])(CC3)(CH3)2	O(C[5,5]C[3x5,6]2H)(SiC3)	C[5,5](C[3x5,6]C[3x5,6]2H)2(OSi)(H){4|C<4>,4|H<1>}	Si(OC[5,5])(CC3)(CH3)2	125.9380	0.000	1	125.9380	0.000	1	125.9380	0.000	1	125.9380	0.000	1	131.1738	32.616	4	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,5]	Si	4:4:	4:4:4:2:	2:4:4:4:	C[5,5]-4:Si-4:	C[4,3x5]-4:C[5]-4:C[5]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi)	Si(OC[5,5])(CC3)(CH3)2	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi){1|C<3>,2|C<4>,7|H<1>}	Si(OC[5,5])(CC3)(CH3)2	138.2470	0.000	1	135.7805	12.167	2	135.7805	12.167	2	135.7805	12.167	2	131.1738	32.616	4	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,5]	Si	4:4:	4:4:4:2:	2:4:4:4:	C[5,5]-4:Si-4:	C[4,3x5]-4:C[5]-4:C[5]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi)	Si(OC[5,5])(CC3)(CH3)2	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi){1|C<3>,4|C<4>,5|H<1>}	Si(OC[5,5])(CC3)(CH3)2	133.3140	0.000	1	135.7805	12.167	2	135.7805	12.167	2	135.7805	12.167	2	131.1738	32.616	4	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6,6]	Si	4:4:	3:3:4:2:	2:4:4:4:	C[5,6,6]-4:Si-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OSi)	Si(OC[5,6,6])(CH3)3	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OSi){8|C<3>}	Si(OC[5,6,6])(CH3)3	131.6580	0.000	2	131.6580	0.000	2	131.6580	0.000	2	131.6580	0.000	2	135.1100	35.749	3	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6,6]	Si	4:4:	4:3:3:2:	2:4:4:4:	C[5,6,6]-4:Si-4:	C[5,3x6]-4:C[6,6]-3:C[5]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(SiC3)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi)	Si(OC[5,6,6])(CC3)(CH3)2	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(SiC3)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi){1|C<3>,2|C<4>,5|H<1>}	Si(OC[5,6,6])(CC3)(CH3)2	142.0140	0.000	1	142.0140	0.000	1	142.0140	0.000	1	142.0140	0.000	1	135.1100	35.749	3	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6]	Si	4:4:	3:4:3:2:	2:4:4:4:	C[5,6]-4:Si-4:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,6,6a]C[5,6]C[5])(SiC3)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi)	Si(OC[5,6])(CH3)3	O(C[5,6]C[5,6,6a]C[5,6]C[5])(SiC3)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	Si(OC[5,6])(CH3)3	132.4670	4.969	3	132.4670	24.687	3	132.4670	24.687	3	132.4670	24.687	3	131.7540	22.102	16	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6]	Si	4:4:	3:4:4:2:	2:4:4:4:	C[5,6]-4:Si-4:	C[6,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5,6]C[6,6a]C[5,5]C[5,6])(SiC3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi)	Si(OC[5,6])(CH3)3	O(C[5,6]C[6,6a]C[5,5]C[5,6])(SiC3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(OSi){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	Si(OC[5,6])(CH3)3	136.8410	0.000	1	136.8410	0.000	1	136.8410	0.000	1	136.8410	0.000	1	131.7540	22.102	16	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6]	Si	4:4:	4:3:3:2:	2:4:4:4:	C[5,6]-4:Si-4:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,6,6]C[6,6a]C[5])(SiC3)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi)	Si(OC[5,6])(CC3)(CH3)2	O(C[5,6]C[5,6,6]C[6,6a]C[5])(SiC3)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(OSi){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	Si(OC[5,6])(CC3)(CH3)2	136.6530	1.467	2	136.6530	2.151	2	136.6530	2.151	2	136.0790	2.064	3	131.7540	22.102	16	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6]	Si	4:4:	4:3:3:2:	2:4:4:4:	C[5,6]-4:Si-4:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi)	Si(OC[5,6])(CC3)(CH3)2	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Si(OC[5,6])(CC3)(CH3)2	134.9310	0.000	1	134.9310	0.000	1	134.9310	0.000	1	136.0790	2.064	3	131.7540	22.102	16	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6]	Si	4:4:	4:3:4:2:	2:4:4:4:	C[5,6]-4:Si-4:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	Si(OC[5,6])(CH3)3	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	Si(OC[5,6])(CH3)3	132.9430	0.000	1	134.2105	3.213	2	134.2105	3.213	2	134.2105	3.213	2	131.7540	22.102	16	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6]	Si	4:4:	4:3:4:2:	2:4:4:4:	C[5,6]-4:Si-4:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	Si(OC[5,6])(CH3)3	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	Si(OC[5,6])(CH3)3	135.4780	0.000	1	134.2105	3.213	2	134.2105	3.213	2	134.2105	3.213	2	131.7540	22.102	16	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5,6]-4:Si-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,5,6]C[5,6]H)(SiC3)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H)	Si(OC[5,6])(CC3)(CH3)2	O(C[5,6]C[5,5,6]C[5,6]H)(SiC3)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	Si(OC[5,6])(CC3)(CH3)2	125.5465	0.667	2	125.5465	0.445	2	124.5750	3.054	3	124.5750	3.054	3	131.7540	22.102	16	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5,6]-4:Si-4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,5,6]C[5,6]H)(SiC3)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H)	Si(OC[5,6])(CC3)(CH3)2	O(C[5,6]C[5,5,6]C[5,6]H)(SiC3)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HO)(OSi)(H){1|C<4>,1|O<2>}	Si(OC[5,6])(CC3)(CH3)2	122.6320	0.000	1	122.6320	0.000	1	124.5750	3.054	3	124.5750	3.054	3	131.7540	22.102	16	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6]	Si	4:4:	4:4:2:2:	2:4:4:4:	C[5,6]-4:Si-4:	C[5,6]-4:C[5,6]-4:O-2:O-2:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,6]2O)(SiC3)	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC)	Si(OC[5,6])(CH3)3	O(C[5,6]C[5,6]2O)(SiC3)	C[5,6](C[5,6]C[5,5]C[6]H)2(OSi)(OC){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	Si(OC[5,6])(CH3)3	132.6330	0.000	1	132.6330	0.000	1	132.6330	0.000	1	132.6330	0.000	1	131.7540	22.102	16	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6]	Si	4:4:	4:4:3:2:	2:4:4:4:	C[5,6]-4:Si-4:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,5,6]C[5,6]C)(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OSi)	Si(OC[5,6])(CH3)3	O(C[5,6]C[5,5,6]C[5,6]C)(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OSi){3|C<4>,3|H<1>}	Si(OC[5,6])(CH3)3	129.2150	2.110	2	129.2150	4.452	2	129.2150	4.452	2	130.2687	5.557	3	131.7540	22.102	16	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5,6]	Si	4:4:	4:4:3:2:	2:4:4:4:	C[5,6]-4:Si-4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi)	Si(OC[5,6])(CH3)3	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]O[5]O)(OSi){1|C<3>,1|C<4>,4|H<1>}	Si(OC[5,6])(CH3)3	132.3760	0.000	1	132.3760	0.000	1	132.3760	0.000	1	130.2687	5.557	3	131.7540	22.102	16	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	3:3:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6a]-3:C[5,6a]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6a]2H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])2(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6a]2H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])2(OSi)(H){1|H<1>,1|N<2>,4|C<3>}	Si(OC[5])(CC3)(CH3)2	130.7280	0.000	1	130.7280	0.000	1	130.7280	0.000	1	130.7280	0.000	1	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	3:3:3:2:	2:4:4:4:	C[5]-4:Si-4:	N[5]-3:C[5]-3:C-3:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5]N[5]C)(SiC3)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(COO)(OSi)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]N[5]C)(SiC3)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(COO)(OSi){3|C<3>,3|H<1>}	Si(OC[5])(CC3)(CH3)2	136.6540	0.000	1	136.6540	0.000	1	136.6540	0.000	1	136.6540	0.000	1	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	3:3:4:2:	2:4:4:4:	C[5]-4:Si-4:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6a]C[5]C)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi)	Si(OC[5])(CCHH)3	O(C[5]C[5,6a]C[5]C)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi){2|C<3>,2|H<1>}	Si(OC[5])(CCHH)3	134.0655	0.992	2	134.0655	0.984	2	134.0655	0.984	2	134.0655	0.984	2	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	3:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6a]C[5,6]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H)	Si(OC[5])(CCCH)3	O(C[5]C[5,6a]C[5,6]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OSi)(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>}	Si(OC[5])(CCCH)3	139.4480	0.000	1	139.4480	0.000	1	139.4480	0.000	1	133.5153	35.129	3	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	3:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6a]C[5]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OSi)(H)	Si(OC[5])(CCCH)3	O(C[5]C[5,6a]C[5]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OSi)(H){1|Br<1>,1|C<2>,2|C<3>}	Si(OC[5])(CCCH)3	133.5040	0.000	1	133.5040	0.000	1	130.5490	17.464	2	133.5153	35.129	3	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	3:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6a]C[5]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6a]C[5]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OSi)(H){1|H<1>,1|S<4>,2|C<3>}	Si(OC[5])(CC3)(CH3)2	127.5940	0.000	1	127.5940	0.000	1	130.5490	17.464	2	133.5153	35.129	3	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	3:4:2:2:	2:4:4:4:	C[5]-4:Si-4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[6a]C[5]O[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[6a]C[5]O[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	Si(OC[5])(CC3)(CH3)2	127.7900	0.000	1	127.7900	0.000	1	125.7727	3.057	3	125.7727	3.057	3	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	3:4:2:2:	2:4:4:4:	C[5]-4:Si-4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[6a]C[5]O[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	Si(OC[5])(CH3)3	O(C[5]C[6a]C[5]O[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,2|C<4>,4|H<1>}	Si(OC[5])(CH3)3	124.6980	0.000	1	124.7640	0.009	2	125.7727	3.057	3	125.7727	3.057	3	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	3:4:2:2:	2:4:4:4:	C[5]-4:Si-4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[6a]C[5]O[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	Si(OC[5])(CH3)3	O(C[5]C[6a]C[5]O[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,6|H<1>}	Si(OC[5])(CH3)3	124.8300	0.000	1	124.7640	0.009	2	125.7727	3.057	3	125.7727	3.057	3	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	3:4:3:2:	3:3:2:4:	C[5]-4:Si-4:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[5]C[6a]C[5]N[5])(SiC[6a]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi)	Si(C[6a]C[6a]2)2(OC[5])(CC3)	O(C[5]C[6a]C[5]N[5])(SiC[6a]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi){3|C<3>,5|H<1>}	Si(C[6a]C[6a]2)2(OC[5])(CC3)	140.6410	0.000	1	140.6410	0.000	1	140.6410	0.000	1	140.6410	0.000	1	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	3:4:4:2:	2:4:4:4:	C[5]-4:Si-4:	C[6a]-3:C[5]-4:C[5]-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[6a]C[5]2)(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[6a]C[5]2)(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(OSi){3|C<3>,5|H<1>}	Si(OC[5])(CC3)(CH3)2	134.5720	0.000	1	134.5720	0.000	1	134.5720	0.000	1	134.5720	0.000	1	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:2:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]O[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5]O[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	Si(OC[5])(CC3)(CH3)2	126.8940	0.000	1	126.8940	0.000	1	126.8940	0.000	1	126.1865	1.001	2	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:2:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]O[5]H)(SiC3)	C[5](C[5]C[5]HN)(O[5]C[5,6])(OSi)(H)	Si(OC[5])(CCHH)3	O(C[5]C[5]O[5]H)(SiC3)	C[5](C[5]C[5]HN)(O[5]C[5,6])(OSi)(H){2|C<4>,2|H<1>}	Si(OC[5])(CCHH)3	125.4790	0.000	1	125.4790	0.000	1	125.4790	0.000	1	126.1865	1.001	2	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:3:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:N[5]-3:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]N[5]H)(SiC3)	C[5](C[5]C[5]SiC)(N[5]C[5]H)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]N[5]H)(SiC3)	C[5](C[5]C[5]SiC)(N[5]C[5]H)(OSi)(H){1|C<4>,1|H<1>,1|O<1>}	Si(OC[5])(CC3)(CH3)2	130.3510	0.000	1	130.3510	0.000	1	130.3510	0.000	1	130.3510	0.000	1	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:3:2:1:	3:3:2:4:	C[5]-4:Si-4:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H)	Si(C[6a]C[6a]2)2(OC[5])(CC3)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H){1|H<1>,1|N<3>}	Si(C[6a]C[6a]2)2(OC[5])(CC3)	137.8430	0.000	1	137.8430	0.000	1	137.8430	0.000	1	137.8430	0.000	1	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:3:2:1:	3:3:3:2:	C[5]-4:Si-4:	C[5,6]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(C[5]C[5,6]C[5]H)(SiC[6a]3)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(OSi)(H)	Si(C[6a]C[6a]2)3(OC[5])	O(C[5]C[5,6]C[5]H)(SiC[6a]3)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(OSi)(H){1|C<3>,2|C<4>,6|H<1>}	Si(C[6a]C[6a]2)3(OC[5])	128.2420	0.000	1	128.2420	0.000	1	128.2420	0.000	1	128.2420	0.000	1	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:3:4:2:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-3:C-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(OSi)	Si(OC[5])(CCHH)3	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(OSi){2|C<4>}	Si(OC[5])(CCHH)3	137.1530	0.000	1	137.1530	0.000	1	137.1530	0.000	1	137.1530	0.000	1	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:2:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:O-2:	O(C[5]C[5]2H)(SiCCO)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H)	Si(OC[5])(CCCH)2(OSi)	O(C[5]C[5]2H)(SiCCO)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OSi)(H){1|C<3>,3|H<1>}	Si(OC[5])(CCCH)2(OSi)	123.2510	0.000	1	123.2510	0.000	1	123.2510	0.000	1	123.2510	0.000	1	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[3,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[3,5]C[5]H)(SiC3)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[3,5]C[5]H)(SiC3)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,3|H<1>}	Si(OC[5])(CC3)(CH3)2	125.7070	0.000	1	125.7070	0.000	1	125.7070	0.000	1	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5,6]-4:C[5,5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5,6]C[5,5]H)(SiC3)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H)	Si(OC[5])(CH3)3	O(C[5]C[5,5,6]C[5,5]H)(SiC3)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5,5]C[3x5,6]N[5]H)(OSi)(H){1|N<2>,3|C<4>,4|H<1>}	Si(OC[5])(CH3)3	126.2440	0.000	1	126.2440	0.000	1	126.2440	0.000	1	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5,6]C[5]H)(SiC3)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5,6]C[5]H)(SiC3)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	Si(OC[5])(CC3)(CH3)2	127.2150	0.000	1	127.2150	0.000	1	126.2565	1.837	2	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5,6]C[5]H)(SiC3)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H)	Si(OC[5])(CH3)3	O(C[5]C[5,5,6]C[5]H)(SiC3)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	Si(OC[5])(CH3)3	125.2980	0.000	1	125.2980	0.000	1	126.2565	1.837	2	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5,6]H)(SiC3)	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5]C[5,6]H)(SiC3)	C[5](C[5,5]C[5,6]C[5]2)(C[5,6]O[5,6]C[6]H)(OSi)(H){1|C<2>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	Si(OC[5])(CC3)(CH3)2	124.9005	0.269	2	124.9005	0.073	2	124.9005	0.073	2	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	Si(OC[5])(CC3)(CH3)2	129.4340	0.000	1	129.4340	0.000	1	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(OSi)(H){1|C<3>,3|C<4>,3|H<1>}	Si(OC[5])(CC3)(CH3)2	121.7550	0.000	1	121.7550	0.000	1	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[5,5]HH)(OSi)(H){1|C<3>,3|H<1>,5|C<4>}	Si(OC[5])(CC3)(CH3)2	127.1500	0.000	1	127.1500	0.000	1	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H)	Si(OC[5])(CH3)3	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	Si(OC[5])(CH3)3	126.6540	0.000	1	126.6540	0.000	1	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	Si(OC[5])(CC3)(CH3)2	126.8230	0.000	1	126.8230	0.000	1	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H)	Si(OC[5])(CH3)3	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Si(OC[5])(CH3)3	125.2460	0.000	1	125.2460	0.000	1	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	Si(OC[5])(CC3)(CH3)2	127.9380	0.000	1	127.9380	0.000	1	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	Si(OC[5])(CC3)(CH3)2	126.2430	0.000	2	126.2430	0.000	2	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	Si(OC[5])(CC3)(CH3)2	123.3837	2.888	4	123.3837	8.341	4	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(OSi)(H)	Si(OC[5])(CCHH)3	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(OSi)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	Si(OC[5])(CCHH)3	125.0290	0.000	1	125.0290	0.000	1	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	Si(OC[5])(CC3)(CH3)2	121.9330	0.122	2	121.9330	0.015	2	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OSi)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	Si(OC[5])(CC3)(CH3)2	122.8960	0.000	1	122.8960	0.000	1	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,5]C[5]H)(SiC3)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OSi)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	Si(OC[5])(CC3)(CH3)2	127.7335	0.695	2	127.7335	0.483	2	125.1726	7.014	19	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OSi)(H){2|C<4>,5|H<1>}	Si(OC[5])(CC3)(CH3)2	129.6750	0.247	2	129.6750	0.061	2	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	Si(OC[5])(CC3)(CH3)2	130.9540	0.000	1	129.0545	7.216	2	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OSi)(H){2|C<4>,5|H<1>}	Si(OC[5])(CC3)(CH3)2	127.1550	0.000	1	129.0545	7.216	2	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CC)(OSi)(H)	Si(OC[5])(CH3)3	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CC)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	Si(OC[5])(CH3)3	126.4270	0.000	1	126.4270	0.000	1	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Si(OC[5])(CC3)(CH3)2	126.5910	0.000	1	126.9755	0.296	2	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OSi)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	Si(OC[5])(CC3)(CH3)2	127.3600	0.000	1	126.9755	0.296	2	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,4|H<1>}	Si(OC[5])(CC3)(CH3)2	122.3330	0.000	1	122.3330	0.000	1	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	Si(OC[5])(CC3)(CH3)2	129.0830	0.000	1	125.0637	17.997	3	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OSi)(H){1|O<2>,3|H<1>,4|C<4>}	Si(OC[5])(CC3)(CH3)2	123.0540	3.429	2	125.0637	17.997	3	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OSi)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	Si(OC[5])(CC3)(CH3)2	128.4375	1.422	2	128.4375	2.022	2	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H)	Si(OC[5])(CCCH)3	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(OSi)(H){1|O<2>,2|C<4>,7|H<1>}	Si(OC[5])(CCCH)3	132.9840	0.000	1	132.9840	0.000	1	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	Si(OC[5])(CC3)(CH3)2	123.5650	1.085	2	123.6667	0.619	3	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<4>,4|H<1>}	Si(OC[5])(CC3)(CH3)2	123.8700	0.000	1	123.6667	0.619	3	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Si(OC[5])(CC3)(CH3)2	131.2030	0.000	1	128.5073	5.456	3	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5,6]C[5]H)(SiC3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	Si(OC[5])(CC3)(CH3)2	127.1595	0.110	2	128.5073	5.456	3	127.0871	10.199	20	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]HH)(OSi)(H){1|S<2>,2|C<3>}	Si(OC[5])(CC3)(CH3)2	125.5020	0.000	1	125.5020	0.000	1	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	Si(OC[5])(CC3)(CH3)2	128.2920	0.000	1	128.2920	0.000	1	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,5]HH)2(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,5]HH)2(OSi)(H){1|O<2>,3|C<4>}	Si(OC[5])(CC3)(CH3)2	122.1020	0.000	2	122.1020	0.000	2	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,3|C<4>}	Si(OC[5])(CC3)(CH3)2	125.7230	0.000	1	125.7230	0.000	1	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|S<2>}	Si(OC[5])(CC3)(CH3)2	123.9670	0.000	1	123.9670	0.000	1	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(OSi)(H)	Si(OC[5])(CCCH)3	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(OSi)(H){1|O<2>,3|H<1>}	Si(OC[5])(CCCH)3	136.0750	0.000	1	136.0750	0.000	1	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	Si(OC[5])(CC3)(CH3)2	124.7070	0.000	1	124.0605	0.836	2	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OSi)(H){2|C<4>,2|H<1>}	Si(OC[5])(CC3)(CH3)2	123.4140	0.000	1	124.0605	0.836	2	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	Si(OC[5])(CC3)(CH3)2	124.4430	0.000	1	124.4430	0.000	1	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OSi)(H){1|O<1>}	Si(OC[5])(CC3)(CH3)2	127.8330	0.000	1	127.8330	0.000	1	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	Si(OC[5])(CC3)(CH3)2	123.9714	2.836	5	123.9714	8.044	5	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	Si(OC[5])(CCCH)3	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	Si(OC[5])(CCCH)3	130.7765	0.726	2	130.7765	0.527	2	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OSi)(H){1|C<4>,2|H<1>}	Si(OC[5])(CC3)(CH3)2	124.4595	0.480	2	124.4595	0.231	2	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|C<3>,1|O<2>}	Si(OC[5])(CC3)(CH3)2	124.4410	2.799	2	125.9367	4.370	6	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	Si(OC[5])(CC3)(CH3)2	126.6845	1.560	4	125.9367	4.370	6	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){1|O<1>,3|C<3>}	Si(OC[5])(CC3)(CH3)2	127.7800	0.000	1	127.7800	0.000	1	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	Si(OC[5])(CC3)(CH3)2	130.3210	0.000	1	130.3210	0.000	1	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(OSi)(H){1|H<1>,4|C<3>}	Si(OC[5])(CC3)(CH3)2	124.6720	0.000	1	124.6720	0.000	1	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2H)(SiC3)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,1|H<1>,2|C<3>}	Si(OC[5])(CC3)(CH3)2	125.9425	4.123	4	125.9425	17.000	4	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2H)(SiC3)	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H)	Si(OC[5])(CCCH)3	O(C[5]C[5]2H)(SiC3)	C[5](C[5]Si[5]CH)(C[5]O[5]CH)(OSi)(H){2|C<4>}	Si(OC[5])(CCCH)3	134.1840	0.000	1	134.1840	0.000	1	126.2011	12.780	34	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	O-2:Si-4:Si-4:Si-4:	O(C[5]C[5]2H)(SiSi3)	C[5](C[5]C[5]CH)2(OSi)(H)	Si(OC[5])(SiC3)3	O(C[5]C[5]2H)(SiSi3)	C[5](C[5]C[5]CH)2(OSi)(H){4|H<1>}	Si(OC[5])(SiC3)3	126.7773	2.292	3	126.7773	5.255	3	126.7773	5.255	3	126.1641	9.809	82	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	3:2:4:2:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:C-4:O-2:	O(C[5]C[5]2H)(SiC[6a]CO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H)	Si(C[6a]C[6a]2)(OC[5])(CC3)(OC)	O(C[5]C[5]2H)(SiC[6a]CO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OSi)(H){2|H<1>,3|C<3>}	Si(C[6a]C[6a]2)(OC[5])(CC3)(OC)	127.1880	0.000	1	127.1880	0.000	1	127.1880	0.000	1	127.1880	0.000	1	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	3:3:2:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H)	Si(C[6a]C[6a]2)2(OC[5])(CC3)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OSi)(H){1|H<1>,1|N<3>}	Si(C[6a]C[6a]2)2(OC[5])(CC3)	131.1180	0.000	1	131.1180	0.000	1	130.8739	27.686	7	130.8739	27.686	7	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	3:3:2:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H)	Si(C[6a]C[6a]2)2(OC[5])(CC3)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OSi)(H){2|H<1>}	Si(C[6a]C[6a]2)2(OC[5])(CC3)	130.9720	5.134	2	130.9720	26.354	2	130.8739	27.686	7	130.8739	27.686	7	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	3:3:2:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H)	Si(C[6a]C[6a]2)2(OC[5])(CC3)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OSi)(H){1|C<3>,1|H<1>}	Si(C[6a]C[6a]2)2(OC[5])(CC3)	132.9825	10.822	2	132.9825	117.122	2	130.8739	27.686	7	130.8739	27.686	7	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	3:3:2:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)2(OSi)(H)	Si(C[6a]C[6a]2)2(OC[5])(CC3)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]C[5]HO)2(OSi)(H){1|C<4>,1|H<1>}	Si(C[6a]C[6a]2)2(OC[5])(CC3)	129.7330	0.000	1	129.7330	0.000	1	130.8739	27.686	7	130.8739	27.686	7	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:1:	3:3:2:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H)	Si(C[6a]C[6a]2)2(OC[5])(CC3)	O(C[5]C[5]2H)(SiC[6a]2C)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OSi)(H){1|C<4>,2|C<3>}	Si(C[6a]C[6a]2)2(OC[5])(CC3)	127.3570	0.000	1	127.3570	0.000	1	130.8739	27.686	7	130.8739	27.686	7	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:2:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]2O[5])(SiC3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)	Si(OC[5])(CH3)3	O(C[5]C[5,5]2O[5])(SiC3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi){1|O<1>,3|C<4>,3|O<2>,4|H<1>}	Si(OC[5])(CH3)3	129.3735	0.736	2	129.9597	1.302	3	129.9597	1.302	3	131.9583	16.845	4	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:2:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]2O[5])(SiC3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi)	Si(OC[5])(CH3)3	O(C[5]C[5,5]2O[5])(SiC3)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(OSi){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	Si(OC[5])(CH3)3	131.1320	0.000	1	129.9597	1.302	3	129.9597	1.302	3	131.9583	16.845	4	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:2:2:	2:4:4:4:	C[5]-4:Si-4:	C[5,6]-4:C[3]-4:O[5]-2:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5,6]C[3]O[5])(SiC3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[3]C[3]O[3]C)(O[5]C[5])(OSi)	Si(OC[5])(CH3)3	O(C[5]C[5,6]C[3]O[5])(SiC3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[3]C[3]O[3]C)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	Si(OC[5])(CH3)3	137.9540	0.000	1	137.9540	0.000	1	137.9540	0.000	1	131.9583	16.845	4	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:3:2:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:C-3:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]C)(SiC3)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCC)(OSi)	Si(OC[5])(CH3)3	O(C[5]C[5,5]C[5]C)(SiC3)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCC)(OSi){1|C<4>,1|N<2>,3|H<1>}	Si(OC[5])(CH3)3	146.8440	0.000	1	146.8440	0.000	1	146.8440	0.000	1	137.6803	63.082	3	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:3:2:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:C-3:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCN)(OSi)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCN)(OSi){1|O<2>,3|H<1>}	Si(OC[5])(CC3)(CH3)2	133.4180	0.000	1	133.4180	0.000	1	133.0985	0.204	2	137.6803	63.082	3	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:3:2:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:C-3:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OSi)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OSi){1|C<3>,1|N<2>,1|S<2>}	Si(OC[5])(CC3)(CH3)2	132.7790	0.000	1	132.7790	0.000	1	133.0985	0.204	2	137.6803	63.082	3	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:4:2:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]C)(SiC3)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(CH3)(OSi)	Si(OC[5])(CH3)3	O(C[5]C[5,5]C[5]C)(SiC3)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(CH3)(OSi){1|H<1>,1|N<2>,3|C<4>}	Si(OC[5])(CH3)3	132.2540	0.000	1	132.2540	0.000	1	133.5780	1.476	3	134.7708	5.370	5	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:4:2:	2:4:4:4:	C[5]-4:Si-4:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5,5]C[5]C)(SiC3)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(CCHH)(OSi)	Si(OC[5])(CH3)3	O(C[5]C[5,5]C[5]C)(SiC3)	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(CCHH)(OSi){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	Si(OC[5])(CH3)3	134.2400	0.569	2	134.2400	0.323	2	133.5780	1.476	3	134.7708	5.370	5	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:4:2:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:C-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OSi)	Si(OC[5])(CH3)3	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OSi){4|H<1>}	Si(OC[5])(CH3)3	138.5420	0.000	1	138.5420	0.000	1	136.5600	7.857	2	134.7708	5.370	5	128.1098	23.533	121	128.8082	26.008	145
893	474	880	0:SP3_SP3_SP3	O	C[5]	Si	4:4:	4:4:4:2:	2:4:4:4:	C[5]-4:Si-4:	C[5]-4:C[5]-4:C-4:O-2:	O-2:C-4:C-4:C-4:	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi)	Si(OC[5])(CC3)(CH3)2	O(C[5]C[5]2C)(SiC3)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi){1|C<4>,1|O<2>,2|H<1>}	Si(OC[5])(CC3)(CH3)2	134.5780	0.000	1	134.5780	0.000	1	136.5600	7.857	2	134.7708	5.370	5	128.1098	23.533	121	128.8082	26.008	145
893	474	887	0:SP3_SP3_SP3	O	C[5,6]	S	4:3:	4:4:2:1:	3:2:1:	C[5,6]-4:S-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(SC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H)	S(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(SC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H){1|C<4>,5|H<1>}	S(C[6a]C[6a]2)(OC[5,6])(O)	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	115.5700	1.075	2
893	474	887	0:SP3_SP3_SP3	O	C[5]	S	4:3:	4:4:2:1:	4:2:1:	C[5]-4:S-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6]-4:O-2:O-1:	O(C[5]C[5,5]C[5]H)(SC[6]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H)	S(C[6]C[6]2H)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(SC[6]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]2H)(OC[5])(O)	114.8370	0.000	1	114.8370	0.000	1	114.8370	0.000	1	114.8370	0.000	1	114.8370	0.000	1	115.5700	1.075	2
893	474	893	0:SP3_SP3_SP3	O	C[5,5,6]	O	4:2:	4:4:3:2:	2:4:	C[5,5,6]-4:O-2:	C[3x5,6]-4:C[5,6]-4:N[5]-3:O-2:	O-2:C-4:	O(C[5,5,6]C[3x5,6]C[5,6]N[5])(OC)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(N[5]C[6a]C[5])(OO)	O(OC[5,5,6])(CC[6a]CO)	O(C[5,5,6]C[3x5,6]C[5,6]N[5])(OC)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(N[5]C[6a]C[5])(OO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(OC[5,5,6])(CC[6a]CO)	104.9110	0.000	1	104.9110	0.000	1	104.9110	0.000	1	104.9110	0.000	1	104.9110	0.000	1	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:O-2:	O-2:C-4:	O(C[5,6,6]C[5,6,6a]2C[3x6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6]C[3x6]C[6,6])(OO)	O(OC[5,6,6])(CC3)	O(C[5,6,6]C[5,6,6a]2C[3x6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6]C[3x6]C[6,6])(OO){1|N<4>,1|O<2>,3|C<4>,4|C<3>}	O(OC[5,6,6])(CC3)	103.3100	0.000	1	103.3100	0.000	1	103.3100	0.000	1	104.6053	1.790	7	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	O-2:C-4:	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OO)	O(OC[5,6,6])(CC3)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OO){1|O<2>,4|C<3>,4|C<4>}	O(OC[5,6,6])(CC3)	106.2790	0.000	1	106.2790	0.000	1	105.6097	1.378	3	104.6053	1.790	7	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	O-2:C-4:	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO)	O(OC[5,6,6])(CC3)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO){1|O<2>,2|C<4>,6|C<3>}	O(OC[5,6,6])(CC3)	104.2540	0.000	1	105.2750	2.085	2	105.6097	1.378	3	104.6053	1.790	7	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	O-2:C-4:	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO)	O(OC[5,6,6])(CC3)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO){3|C<4>,5|C<3>}	O(OC[5,6,6])(CC3)	106.2960	0.000	1	105.2750	2.085	2	105.6097	1.378	3	104.6053	1.790	7	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:O-2:	O-2:C-4:	O(C[5,6,6]C[5,6,6a]2C[5a,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]2)(OO)	O(OC[5,6,6])(CC3)	O(C[5,6,6]C[5,6,6a]2C[5a,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]2)(OO){1|N<3>,2|C<4>,5|C<3>}	O(OC[5,6,6])(CC3)	102.8420	0.000	1	102.8420	0.000	1	103.8795	2.153	2	104.6053	1.790	7	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:O-2:	O-2:C-4:	O(C[5,6,6]C[5,6,6a]2C[5a,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]N[5a,6,6])(OO)	O(OC[5,6,6])(CC3)	O(C[5,6,6]C[5,6,6a]2C[5a,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]N[5a,6,6])(OO){2|C<4>,6|C<3>}	O(OC[5,6,6])(CC3)	104.9170	0.000	1	104.9170	0.000	1	103.8795	2.153	2	104.6053	1.790	7	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:O-2:	O-2:C-4:	O(C[5,6,6]C[5,6,6a]2C[6,6,6a])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO)	O(OC[5,6,6])(CC[6a]HH)	O(C[5,6,6]C[5,6,6a]2C[6,6,6a])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO){1|C<4>,7|C<3>}	O(OC[5,6,6])(CC[6a]HH)	104.3390	0.000	1	104.3390	0.000	1	104.3390	0.000	1	104.6053	1.790	7	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	3:3:4:2:	2:4:	C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	O-2:C-4:	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6]O)(OO)	O(OC[5,6,6])(CC3)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6]O)(OO){1|O<2>,3|C<4>,5|C<3>}	O(OC[5,6,6])(CC3)	104.5590	0.000	1	104.5590	0.000	1	105.3635	1.294	2	105.3635	1.294	2	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	3:3:4:2:	2:4:	C[5,6,6]-4:O-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	O-2:C-4:	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2O)(OO)	O(OC[5,6,6])(CC3)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2O)(OO){2|C<4>,6|C<3>}	O(OC[5,6,6])(CC3)	106.1680	0.000	1	106.1680	0.000	1	105.3635	1.294	2	105.3635	1.294	2	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	4:3:3:2:	2:4:	C[5,6,6]-4:O-2:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:O-2:	O-2:C-4:	O(C[5,6,6]C[3,5,6,6]C[5,6,6a]2)(OC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO)	O(OC[5,6,6])(CC3)	O(C[5,6,6]C[3,5,6,6]C[5,6,6a]2)(OC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO){1|O<2>,2|C<4>,6|C<3>}	O(OC[5,6,6])(CC3)	104.9740	0.000	1	103.5225	4.214	2	103.5225	4.214	2	104.9610	8.315	3	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	4:3:3:2:	2:4:	C[5,6,6]-4:O-2:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:O-2:	O-2:C-4:	O(C[5,6,6]C[3,5,6,6]C[5,6,6a]2)(OC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO)	O(OC[5,6,6])(CC3)	O(C[5,6,6]C[3,5,6,6]C[5,6,6a]2)(OC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO){3|C<4>,5|C<3>}	O(OC[5,6,6])(CC3)	102.0710	0.000	1	103.5225	4.214	2	103.5225	4.214	2	104.9610	8.315	3	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	4:3:3:2:	2:4:	C[5,6,6]-4:O-2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O-2:	O-2:C-4:	O(C[5,6,6]C[5,6,6]3)(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO)	O(OC[5,6,6])(CC3)	O(C[5,6,6]C[5,6,6]3)(OC)	C[5,6,6](C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)2(OO){2|C<4>,2|O<2>,6|C<3>}	O(OC[5,6,6])(CC3)	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	104.9610	8.315	3	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6,6]	O	4:2:	4:4:3:2:	2:4:	C[5,6,6]-4:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O-2:	O-2:C-4:	O(C[5,6,6]C[3,5,6,6]C[5,6,6]2)(OC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO)	O(OC[5,6,6])(CC3)	O(C[5,6,6]C[3,5,6,6]C[5,6,6]2)(OC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO){2|C<4>,2|O<2>,6|C<3>}	O(OC[5,6,6])(CC3)	103.5650	0.000	1	103.5650	0.000	1	103.5650	0.000	1	103.5650	0.000	1	104.7240	2.591	13	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6]-4:O-2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	O-2:C-4:	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO)	O(OC[5,6])(CC3)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO){1|O<2>,3|C<4>,5|C<3>}	O(OC[5,6])(CC3)	106.2260	0.000	1	106.2260	0.000	1	105.0694	1.605	8	104.8604	1.797	9	105.4548	2.914	12	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6]-4:O-2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	O-2:C-4:	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	O(OC[5,6])(CC3)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	O(OC[5,6])(CC3)	103.8930	0.000	1	104.2570	0.519	5	105.0694	1.605	8	104.8604	1.797	9	105.4548	2.914	12	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6]-4:O-2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	O-2:C-4:	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	O(OC[5,6])(CC3)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|I<1>,1|O<2>,2|C<4>,6|C<3>}	O(OC[5,6])(CC3)	105.0610	0.000	1	104.2570	0.519	5	105.0694	1.605	8	104.8604	1.797	9	105.4548	2.914	12	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6]-4:O-2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	O-2:C-4:	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	O(OC[5,6])(CC3)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|N<2>,2|C<4>,6|C<3>}	O(OC[5,6])(CC3)	103.2150	0.000	1	104.2570	0.519	5	105.0694	1.605	8	104.8604	1.797	9	105.4548	2.914	12	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6]-4:O-2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	O-2:C-4:	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	O(OC[5,6])(CC3)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|O<2>,2|C<4>,6|C<3>}	O(OC[5,6])(CC3)	104.5580	0.178	2	104.2570	0.519	5	105.0694	1.605	8	104.8604	1.797	9	105.4548	2.914	12	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6]-4:O-2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	O-2:C-4:	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	O(OC[5,6])(CC3)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	O(OC[5,6])(CC3)	106.9080	0.000	1	106.5220	0.298	2	105.0694	1.605	8	104.8604	1.797	9	105.4548	2.914	12	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6]-4:O-2:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	O-2:C-4:	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	O(OC[5,6])(CC3)	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	O(OC[5,6])(CC3)	106.1360	0.000	1	106.5220	0.298	2	105.0694	1.605	8	104.8604	1.797	9	105.4548	2.914	12	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6]	O	4:2:	3:3:3:2:	2:4:	C[5,6]-4:O-2:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:O-2:	O-2:C-4:	O(C[5,6]C[5,6,6a]C[5,6a]C[6,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO)	O(OC[5,6])(CC3)	O(C[5,6]C[5,6,6a]C[5,6a]C[6,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO){4|C<3>,4|C<4>}	O(OC[5,6])(CC3)	103.1890	0.000	1	103.1890	0.000	1	103.1890	0.000	1	104.8604	1.797	9	105.4548	2.914	12	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6]	O	4:2:	3:3:4:2:	2:1:	C[5,6]-4:O-2:	C[5,6a]-3:C[5,6]-3:C[6]-4:O-2:	O-2:H-1:	O(C[5,6]C[5,6a]C[5,6]C[6])(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(OO)	O(OC[5,6])(H)	O(C[5,6]C[5,6a]C[5,6]C[6])(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(OO){2|C<3>,2|C<4>,4|H<1>}	O(OC[5,6])(H)	107.6980	0.000	1	107.6980	0.000	1	107.6980	0.000	1	107.6980	0.000	1	105.4548	2.914	12	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6]	O	4:2:	3:3:4:2:	2:4:	C[5,6]-4:O-2:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-4:O-2:	O-2:C-4:	O(C[5,6]C[5,6,6a]C[5,6a]C[6,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3,3x6]O[6]O)(OO)	O(OC[5,6])(CC3)	O(C[5,6]C[5,6,6a]C[5,6a]C[6,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3,3x6]O[6]O)(OO){1|O<2>,3|C<4>,5|C<3>}	O(OC[5,6])(CC3)	105.4840	0.000	1	105.4840	0.000	1	105.4840	0.000	1	105.4840	0.000	1	105.4548	2.914	12	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5,6]	O	4:2:	4:4:4:2:	2:1:	C[5,6]-4:O-2:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:H-1:	O(C[5,6]C[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO)	O(OC[5,6])(H)	O(C[5,6]C[5,6]C[5]C[6])(OH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OO){1|C<4>,2|O<2>,6|H<1>}	O(OC[5,6])(H)	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	105.4548	2.914	12	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:2:4:2:	2:1:	C[5]-4:O-2:	C[5]-3:N[5]-2:C-4:O-2:	O-2:H-1:	O(C[5]C[5]N[5]C)(OH)	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO)	O(OC[5])(H)	O(C[5]C[5]N[5]C)(OH)	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO){2|C<4>}	O(OC[5])(H)	107.0750	0.000	1	107.0750	0.000	1	107.0750	0.000	1	107.0750	0.000	1	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:2:1:	2:1:	C[5]-4:O-2:	C[5,6]-3:N[5]-3:O-2:H-1:	O-2:H-1:	O(C[5]C[5,6]N[5]H)(OH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]S[5])(OO)(H)	O(OC[5])(H)	O(C[5]C[5,6]N[5]H)(OH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]S[5])(OO)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	O(OC[5])(H)	107.8770	0.000	1	107.8770	0.000	1	107.8770	0.000	1	107.8770	0.000	1	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:2:2:	2:1:	C[5]-4:O-2:	C[5]-3:C[6a]-3:N[5]-2:O-2:	O-2:H-1:	O(C[5]C[6a]C[5]N[5])(OH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO)	O(OC[5])(H)	O(C[5]C[6a]C[5]N[5])(OH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO){2|H<1>,5|C<3>}	O(OC[5])(H)	107.4465	0.323	2	107.4465	0.104	2	107.4465	0.104	2	107.4465	0.104	2	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:2:2:	2:4:	C[5]-4:O-2:	C[5,6a]-3:C[5]-3:C-2:O-2:	O-2:C-4:	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OO)	O(OC[5])(CC3)	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OO){1|H<1>,3|C<3>}	O(OC[5])(CC3)	105.7960	0.103	2	105.7960	0.011	2	105.7960	0.011	2	105.7960	0.011	2	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:2:2:	4:2:	C[5]-4:O-2:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:O-2:	O(C[5]C[6a]C[5]N[5])(OC[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO)	O(C[5]C[6a]C[5]N[5])(OC[5])	O(C[5]C[6a]C[5]N[5])(OC[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO){2|H<1>,5|C<3>}	O(C[5]C[6a]C[5]N[5])(OC[5])	107.2610	3.069	4	107.2610	9.419	4	107.2610	9.419	4	107.2610	9.419	4	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:3:2:	2:1:	C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	O-2:H-1:	O(C[5]C[5,6a]C[6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO)	O(OC[5])(H)	O(C[5]C[5,6a]C[6a]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OO){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	O(OC[5])(H)	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:3:2:	2:4:	C[5]-4:O-2:	C[5,6a]-3:C[5,6a]-3:C-3:O-2:	O-2:C-4:	O(C[5]C[5,6a]2C)(OC)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])2(CNO)(OO)	O(OC[5])(CC3)	O(C[5]C[5,6a]2C)(OC)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])2(CNO)(OO){6|C<3>}	O(OC[5])(CC3)	104.0760	0.000	1	104.0760	0.000	1	104.0760	0.000	1	105.1227	1.319	3	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:3:2:	2:4:	C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	O-2:C-4:	O(C[5]C[5,6a]C[6a]C[5])(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO)	O(OC[5])(CC3)	O(C[5]C[5,6a]C[6a]C[5])(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(OC[5])(CC3)	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	105.1227	1.319	3	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:3:2:	2:4:	C[5]-4:O-2:	C[5,6a]-3:N[5]-3:C-3:O-2:	O-2:C-4:	O(C[5]C[5,6a]N[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S[5])(COO)(OO)	O(OC[5])(CC3)	O(C[5]C[5,6a]N[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S[5])(COO)(OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O(OC[5])(CC3)	104.9410	0.000	1	104.9410	0.000	1	104.9410	0.000	1	105.1227	1.319	3	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:3:2:	4:2:	C[5]-4:O-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:	O(C[5]C[5,6a]2C[6a])(OC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OO)	O(C[5]C[5,6a]2C[6a])(OC[5])	O(C[5]C[5,6a]2C[6a])(OC[5])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OO){1|C<4>,3|H<1>,6|C<3>}	O(C[5]C[5,6a]2C[6a])(OC[5])	106.1730	0.000	1	106.1730	0.000	1	106.1730	0.000	1	105.9960	0.063	2	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:3:2:	4:2:	C[5]-4:O-2:	C[5,6a]-3:C[5]-3:N-3:O-2:	C-4:O-2:	O(C[5]C[5,6a]C[5]N)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(OO)	O(CC[6a]CC)(OC[5])	O(C[5]C[5,6a]C[5]N)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(OO){1|C<4>,1|H<1>,2|C<3>}	O(CC[6a]CC)(OC[5])	105.8190	0.000	1	105.8190	0.000	1	105.8190	0.000	1	105.9960	0.063	2	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:4:2:	2:1:	C[5]-4:O-2:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:H-1:	O(C[5]C[5,6a]C[5]C)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CH3)(OO)	O(OC[5])(H)	O(C[5]C[5,6a]C[5]C)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CH3)(OO){1|H<1>,2|C<3>}	O(OC[5])(H)	107.7550	0.008	2	107.7550	0.000	2	107.7550	0.000	2	107.7550	0.000	2	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:4:2:	2:4:	C[5]-4:O-2:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:C-4:	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	O(OC[5])(CC3)	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){1|C<4>,1|H<1>,2|C<3>}	O(OC[5])(CC3)	105.9710	0.000	1	105.5540	0.348	2	105.0730	0.374	8	105.0730	0.374	8	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:4:2:	2:4:	C[5]-4:O-2:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:C-4:	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	O(OC[5])(CC3)	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){2|C<3>,2|H<1>}	O(OC[5])(CC3)	105.1370	0.000	1	105.5540	0.348	2	105.0730	0.374	8	105.0730	0.374	8	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:4:2:	2:4:	C[5]-4:O-2:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:C-4:	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO)	O(OC[5])(CC3)	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO){2|C<3>,2|H<1>}	O(OC[5])(CC3)	104.5500	0.000	1	104.5500	0.000	1	105.0730	0.374	8	105.0730	0.374	8	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:4:2:	2:4:	C[5]-4:O-2:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:C-4:	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO)	O(OC[5])(CC3)	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO){2|C<3>,2|H<1>}	O(OC[5])(CC3)	104.7283	0.240	4	104.7283	0.058	4	105.0730	0.374	8	105.0730	0.374	8	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:3:4:2:	2:4:	C[5]-4:O-2:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:C-4:	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO)	O(OC[5])(CC3)	O(C[5]C[5,6a]C[5]C)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO){2|C<3>,2|H<1>}	O(OC[5])(CC3)	106.0130	0.000	1	106.0130	0.000	1	105.0730	0.374	8	105.0730	0.374	8	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	3:4:2:2:	2:1:	C[5]-4:O-2:	C[6a]-3:C[5]-4:O[5]-2:O-2:	O-2:H-1:	O(C[5]C[6a]C[5]O[5])(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO)	O(OC[5])(H)	O(C[5]C[6a]C[5]O[5])(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO){2|C<3>,2|C<4>,2|H<1>}	O(OC[5])(H)	107.9475	0.057	2	107.9475	0.003	2	107.9475	0.003	2	107.9475	0.003	2	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	4:2:4:2:	2:1:	C[5]-4:O-2:	C[3,5]-4:O[5]-2:C-4:O-2:	O-2:H-1:	O(C[5]C[3,5]O[5]C)(OH)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO)	O(OC[5])(H)	O(C[5]C[3,5]O[5]C)(OH)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO){1|O<2>,2|C<3>}	O(OC[5])(H)	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	108.8689	0.743	10	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	4:2:4:2:	2:1:	C[5]-4:O-2:	C[5]-4:O[5]-2:C-4:O-2:	O-2:H-1:	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO)	O(OC[5])(H)	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO){1|O<1>}	O(OC[5])(H)	108.4190	0.263	2	108.4190	0.069	2	108.7156	0.572	9	108.8689	0.743	10	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	4:2:4:2:	2:1:	C[5]-4:O-2:	C[5]-4:O[5]-2:C-4:O-2:	O-2:H-1:	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO)	O(OC[5])(H)	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO){2|C<4>,2|H<1>}	O(OC[5])(H)	107.4720	0.000	1	107.4720	0.000	1	108.7156	0.572	9	108.8689	0.743	10	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	4:2:4:2:	2:1:	C[5]-4:O-2:	C[5]-4:O[5]-2:C-4:O-2:	O-2:H-1:	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO)	O(OC[5])(H)	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO){1|C<4>,1|N<3>,2|H<1>}	O(OC[5])(H)	109.5520	0.140	3	109.5520	0.020	3	108.7156	0.572	9	108.8689	0.743	10	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	4:2:4:2:	2:1:	C[5]-4:O-2:	C[5]-4:O[5]-2:C-4:O-2:	O-2:H-1:	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO)	O(OC[5])(H)	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO){2|C<4>}	O(OC[5])(H)	108.3460	0.000	1	108.3460	0.000	1	108.7156	0.572	9	108.8689	0.743	10	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	4:2:4:2:	2:1:	C[5]-4:O-2:	C[5]-4:O[5]-2:C-4:O-2:	O-2:H-1:	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO)	O(OC[5])(H)	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO){1|C<4>,1|O<2>}	O(OC[5])(H)	108.5640	0.679	2	108.5640	0.461	2	108.7156	0.572	9	108.8689	0.743	10	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	4:4:2:2:	2:1:	C[5]-4:O-2:	C[5]-4:C-4:O[5]-2:O-2:	O-2:H-1:	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO)	O(OC[5])(H)	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO){1|C<4>,1|O<2>,2|H<1>}	O(OC[5])(H)	107.4880	0.000	1	107.4880	0.000	1	108.1015	0.753	2	108.1015	0.753	2	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	4:4:2:2:	2:1:	C[5]-4:O-2:	C[5]-4:C-4:O[5]-2:O-2:	O-2:H-1:	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO)	O(OC[5])(H)	O(C[5]C[5]O[5]C)(OH)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO){2|C<4>}	O(OC[5])(H)	108.7150	0.000	1	108.7150	0.000	1	108.1015	0.753	2	108.1015	0.753	2	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	4:4:2:2:	4:2:	C[5]-4:O-2:	C[5]-4:C[5]-4:O-2:O-2:	C-4:O-2:	O(C[5]C[5]2O)(OC)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO)	O(CC[6]CC)(OC[5])	O(C[5]C[5]2O)(OC)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO){1|H<1>,1|O<2>,2|C<4>}	O(CC[6]CC)(OC[5])	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	4:4:3:2:	2:4:	C[5]-4:O-2:	C[3]-4:C[5]-4:N[5]-3:O-2:	O-2:C-4:	O(C[5]C[3]C[5]N[5])(OC)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)(OO)	O(OC[5])(CC3)	O(C[5]C[3]C[5]N[5])(OC)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)(OO){1|O<1>,4|H<1>}	O(OC[5])(CC3)	106.6810	0.000	1	106.6810	0.000	1	106.6810	0.000	1	106.6810	0.000	1	107.1408	3.251	43	106.3599	4.009	69
893	474	893	0:SP3_SP3_SP3	O	C[5]	O	4:2:	4:4:4:2:	2:1:	C[5]-4:O-2:	C[5]-4:C[5]-4:C-4:O-2:	O-2:H-1:	O(C[5]C[5]2C)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(OO)	O(OC[5])(H)	O(C[5]C[5]2C)(OH)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(OO){1|C<4>,1|O<2>}	O(OC[5])(H)	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	107.1408	3.251	43	106.3599	4.009	69
893	474	930	0:SP2_SP2_SP3	O	C[3x5,6]	C	4:3:	4:4:4:2:	3:2:1:	C[3x5,6]-4:C-3:	C[3x5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	C[6a]-3:O-2:O-1:	O(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])(CC[6a]O)	C[3x5,6](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2C)(C[5,5]C[5,5,6]HH)(OC)	C(C[6a]C[6a]2)(OC[3x5,6])(O)	O(C[3x5,6]C[3x5,6]C[5,5,6]C[5,5])(CC[6a]O)	C[3x5,6](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2C)(C[5,5]C[5,5,6]HH)(OC){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[3x5,6])(O)	122.4380	0.000	1	122.4380	0.000	1	122.4380	0.000	1	122.4380	0.000	1	122.4380	0.000	1	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5,6,6]	C	4:3:	4:4:4:2:	2:4:1:	C[5,5,6,6]-4:C-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	O-2:C-4:O-1:	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC)	C(OC[5,5,6,6])(CH3)(O)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(OC){2|O<2>,4|C<4>,4|H<1>}	C(OC[5,5,6,6])(CH3)(O)	122.7780	0.000	1	122.7780	0.000	1	120.7563	3.091	3	120.7563	3.091	3	120.7563	3.091	3	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5,6,6]	C	4:3:	4:4:4:2:	2:4:1:	C[5,5,6,6]-4:C-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	O-2:C-4:O-1:	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC)	C(OC[5,5,6,6])(CCCH)(O)	O(C[5,5,6,6]C[5,6,6]2C[5,5])(CCO)	C[5,5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]HH)(OC){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C(OC[5,5,6,6])(CCCH)(O)	119.7455	0.227	2	119.7455	0.052	2	120.7563	3.091	3	120.7563	3.091	3	120.7563	3.091	3	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5,6]	C	4:3:	4:4:3:2:	2:3:1:	C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O-2:	O-2:N-3:O-1:	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CNO)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(C[5]O[5]O)(OC)	C(OC[5,5,6])(NCC)(O)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CNO)	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(C[5]O[5]O)(OC){1|C<4>,2|H<1>}	C(OC[5,5,6])(NCC)(O)	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	117.2744	7.618	5	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5,6]	C	4:3:	4:4:3:2:	3:2:1:	C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(CC[6a]O)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]O[5]O)(OC)	C(C[6a]C[6a]2)(OC[5,5,6])(O)	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(CC[6a]O)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5,5,6])(O)	115.8090	0.000	1	115.8090	0.000	1	115.8090	0.000	1	115.8090	0.000	1	117.2744	7.618	5	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5,6]	C	4:3:	4:4:4:2:	2:4:1:	C[5,5,6]-4:C-3:	C[3x5,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:C-4:O-1:	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CCO)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC)	C(OC[5,5,6])(CC[6a]CH)(O)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CCO)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(OC){3|C<4>,4|H<1>}	C(OC[5,5,6])(CC[6a]CH)(O)	119.3080	2.208	2	119.3080	4.873	2	119.3080	4.873	2	119.0060	2.710	3	117.2744	7.618	5	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5,6]	C	4:3:	4:4:4:2:	2:4:1:	C[5,5,6]-4:C-3:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	O-2:C-4:O-1:	O(C[5,5,6]C[5,5]C[5,6]2)(CCO)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC)	C(OC[5,5,6])(CH3)(O)	O(C[5,5,6]C[5,5]C[5,6]2)(CCO)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]O)(C[5,5]O[5]2H)(OC){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(OC[5,5,6])(CH3)(O)	118.4020	0.000	1	118.4020	0.000	1	118.4020	0.000	1	119.0060	2.710	3	117.2744	7.618	5	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:3:3:2:	2:1:1:	C[5,5]-4:C-3:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	O-2:H-1:H-1:	O(C[5,5]C[3,5]N[5,5]C[5])(CHH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC)	C(OC[5,5])(H)2	O(C[5,5]C[3,5]N[5,5]C[5])(CHH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	C(OC[5,5])(H)2	114.4650	0.000	1	114.4650	0.000	1	114.4650	0.000	1	114.4650	0.000	1	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:2:1:	2:4:1:	C[5,5]-4:C-3:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(CCO)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H)	C(OC[5,5])(CH3)(O)	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(CCO)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[5,5,6,6]C[5,6,6]2H)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(OC[5,5])(CH3)(O)	115.1290	0.907	2	115.1290	0.822	2	115.1290	0.822	2	117.4802	3.447	10	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:2:1:	2:4:1:	C[5,5]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C(OC[5,5])(CH3)(O)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C(OC[5,5])(CH3)(O)	119.0060	0.000	1	117.1370	2.891	3	118.0680	2.341	8	117.4802	3.447	10	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:2:1:	2:4:1:	C[5,5]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H)	C(OC[5,5])(CH3)(O)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	C(OC[5,5])(CH3)(O)	116.2025	0.736	2	117.1370	2.891	3	118.0680	2.341	8	117.4802	3.447	10	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:2:1:	2:4:1:	C[5,5]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H)	C(OC[5,5])(CH3)(O)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C(OC[5,5])(CH3)(O)	119.8350	0.000	1	119.8350	0.000	1	118.0680	2.341	8	117.4802	3.447	10	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:2:1:	2:4:1:	C[5,5]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H)	C(OC[5,5])(CH3)(O)	O(C[5,5]C[5,5,6]2H)(CCO)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C(OC[5,5])(CH3)(O)	118.3245	1.240	4	118.3245	1.539	4	118.0680	2.341	8	117.4802	3.447	10	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:2:1:	3:2:1:	C[5,5]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H)	C(C[6a]C[6a]2)(OC[5,5])(O)	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(OC)(H){2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5,5])(O)	116.4280	0.426	2	116.4280	0.181	2	116.6132	0.136	5	116.6132	0.136	5	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:2:1:	3:2:1:	C[5,5]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C(C[6a]C[6a]2)(OC[5,5])(O)	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){6|H<1>}	C(C[6a]C[6a]2)(OC[5,5])(O)	116.3450	0.000	1	116.6880	0.235	2	116.6132	0.136	5	116.6132	0.136	5	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:2:1:	3:2:1:	C[5,5]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H)	C(C[6a]C[6a]2)(OC[5,5])(O)	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,6]2H)2(OC)(H){8|H<1>}	C(C[6a]C[6a]2)(OC[5,5])(O)	117.0310	0.000	1	116.6880	0.235	2	116.6132	0.136	5	116.6132	0.136	5	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:2:1:	3:2:1:	C[5,5]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H)	C(C[6a]C[6a]2)(OC[5,5])(O)	O(C[5,5]C[5,5,6]2H)(CC[6a]O)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2H)(OC)(H){2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5,5])(O)	116.8340	0.000	1	116.8340	0.000	1	116.6132	0.136	5	116.6132	0.136	5	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:2:2:	3:2:1:	C[5,5]-4:C-3:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	C[6a]-3:O-2:O-1:	O(C[5,5]C[5,5]2O[5])(CC[6a]O)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC)	C(C[6a]C[6a]2)(OC[5,5])(O)	O(C[5,5]C[5,5]2O[5])(CC[6a]O)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(OC){1|C<4>,2|O<2>,4|H<1>}	C(C[6a]C[6a]2)(OC[5,5])(O)	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:4:2:	2:4:1:	C[5,5]-4:C-3:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	O-2:C-4:O-1:	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC)	C(OC[5,5])(CH3)(O)	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(OC){1|O<1>,2|C<4>,5|H<1>}	C(OC[5,5])(CH3)(O)	118.9610	0.000	1	118.9610	0.000	1	118.9610	0.000	1	119.9393	0.726	3	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:4:2:	2:4:1:	C[5,5]-4:C-3:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	O-2:C-4:O-1:	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C(OC[5,5])(CH3)(O)	O(C[5,5]C[5,5]C[5,6]C[5])(CCO)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C(OC[5,5])(CH3)(O)	120.4285	0.128	2	120.4285	0.016	2	120.4285	0.016	2	119.9393	0.726	3	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,5]	C	4:3:	4:4:4:2:	3:2:1:	C[5,5]-4:C-3:	C[5]-4:C[5,5]-4:C[5]-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5,5]C[5,5]C[5]2)(CC[6a]O)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC)	C(C[6a]C[6a]2)(OC[5,5])(O)	O(C[5,5]C[5,5]C[5]2)(CC[6a]O)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(OC){1|C<4>,2|C<3>,7|H<1>}	C(C[6a]C[6a]2)(OC[5,5])(O)	119.6770	0.000	1	119.6770	0.000	1	119.6770	0.000	1	119.6770	0.000	1	117.6113	3.438	21	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6,6]	C	4:3:	3:3:4:2:	3:2:1:	C[5,6,6]-4:C-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CC[6a]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC)	C(C[6a]C[6a]2)(OC[5,6,6])(O)	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(CC[6a]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC){8|C<3>}	C(C[6a]C[6a]2)(OC[5,6,6])(O)	118.4947	1.223	6	118.4947	1.495	6	118.4947	1.495	6	118.4947	1.495	6	118.6746	2.074	9	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6,6]	C	4:3:	4:2:4:2:	2:4:1:	C[5,6,6]-4:C-3:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:O-2:	O-2:C-4:O-1:	O(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(CCO)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC)	C(OC[5,6,6])(CH3)(O)	O(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(CCO)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]N[6]HH)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(OC[5,6,6])(CH3)(O)	117.7000	0.000	1	117.7000	0.000	1	117.7000	0.000	1	117.7000	0.000	1	118.6746	2.074	9	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6,6]	C	4:3:	4:4:2:2:	2:4:1:	C[5,6,6]-4:C-3:	C[5,5,6,6]-4:C[6,6]-4:O[5,6]-2:O-2:	O-2:C-4:O-1:	O(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])(CCO)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC)	C(OC[5,6,6])(CH3)(O)	O(C[5,6,6]C[5,5,6,6]C[6,6]O[5,6])(CCO)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[6,6]N[6,6]C[6]H)(O[5,6]C[5,5,6])(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(OC[5,6,6])(CH3)(O)	121.4140	0.000	1	121.4140	0.000	1	121.4140	0.000	1	121.4140	0.000	1	118.6746	2.074	9	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6,6]	C	4:3:	4:4:3:2:	2:1:1:	C[5,6,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	O-2:H-1:O-1:	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHO)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC)	C(OC[5,6,6])(H)(O)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHO)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C(OC[5,6,6])(H)(O)	117.9890	0.000	1	117.9890	0.000	1	117.9890	0.000	1	117.9890	0.000	1	118.6746	2.074	9	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	3:4:3:2:	2:4:1:	C[5,6]-4:C-3:	N[5,6]-3:C[5]-4:C[6]-3:O-2:	O-2:C-4:O-1:	O(C[5,6]N[5,6]C[5]C[6])(CCO)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC)	C(OC[5,6])(CH3)(O)	O(C[5,6]N[5,6]C[5]C[6])(CCO)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(OC[5,6])(CH3)(O)	116.3340	0.000	1	116.3340	0.000	1	116.3340	0.000	1	116.3340	0.000	1	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	3:4:4:2:	2:1:1:	C[5,6]-4:C-3:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	O-2:H-1:H-1:	O(C[5,6]C[6,6a]C[5,6]2)(CHH)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC)	C(OC[5,6])(H)2	O(C[5,6]C[6,6a]C[5,6]2)(CHH)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(OC){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C(OC[5,6])(H)2	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	3:4:4:2:	3:2:1:	C[5,6]-4:C-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5,6]C[6,6a]C[5,6]C[5])(CC[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[6,6a]C[5,6]C[5])(CC[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)(OC){1|N<3>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(OC[5,6])(O)	119.7210	0.000	1	119.7210	0.000	1	119.7210	0.000	1	119.7210	0.000	1	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:2:3:2:	2:4:1:	C[5,6]-4:C-3:	C[5,6,6]-4:O[5]-2:C[6]-3:O-2:	O-2:C-4:O-1:	O(C[5,6]C[5,6,6]C[6]O[5])(CCO)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6,6]C[6]O[5])(CCO)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC){2|C<3>,2|C<4>,3|H<1>}	C(OC[5,6])(CH3)(O)	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:3:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,5,6,6]-4:C[5,6]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]C)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]C)(OC)(H){2|C<3>,2|C<4>,4|H<1>}	C(OC[5,6])(CH3)(O)	116.1640	0.000	1	116.1640	0.000	1	116.1640	0.000	1	116.1640	0.000	1	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:1:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CHH)	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(H)2	O(C[5,6]C[5,6,6]C[5,6]H)(CHH)	C[5,6](C[5,6,6]C[5,3x6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	C(OC[5,6])(H)2	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:2:1:	C[5,6]-4:C-3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:O-2:H-1:	O(C[5,6]C[5,6]2H)(CHO)	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(OC)(H)	O(C[5,6]C[5,6]2H)(CHO)	C[5,6](C[5,6]C[5,5,6]O[5]C)(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(OC[5,6])(OC)(H)	113.9840	0.000	1	113.9840	0.000	1	113.9840	0.000	1	113.9840	0.000	1	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:3:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C[5,6](C[5,6,6]C[5,5,6,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C(OC[5,6])(CCC)(O)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C[5,6](C[5,6,6]C[5,5,6,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C(OC[5,6])(CCC)(O)	116.2295	0.450	2	116.2295	0.203	2	116.2295	0.203	2	116.2470	0.298	4	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:3:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(CCH)(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C(OC[5,6])(CCH)(O)	115.6770	0.000	1	115.6770	0.000	1	116.2645	0.690	2	116.2470	0.298	4	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:3:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(CCH)(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	C(OC[5,6])(CCH)(O)	116.8520	0.000	1	116.8520	0.000	1	116.2645	0.690	2	116.2470	0.298	4	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C(OC[5,6])(CH3)(O)	117.9310	0.000	1	117.9310	0.000	1	116.5095	2.019	6	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C(OC[5,6])(CMoHH)(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C(OC[5,6])(CMoHH)(O)	116.3960	0.000	1	116.3960	0.000	1	116.5095	2.019	6	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OC)(H){2|C<4>,2|H<1>}	C(OC[5,6])(CH3)(O)	116.1825	1.595	4	116.1825	2.545	4	116.5095	2.019	6	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C(OC[5,6])(CH3)(O)	120.2010	0.000	1	120.2010	0.000	1	118.6467	2.438	3	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H)	C(OC[5,6])(CCCH)(O)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]C)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(OC[5,6])(CCCH)(O)	117.8695	1.119	2	117.8695	1.253	2	118.6467	2.438	3	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C(OC[5,6])(CH3)(O)	116.3290	0.252	2	116.3290	0.063	2	116.8392	0.881	17	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(OC)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C(OC[5,6])(CH3)(O)	116.1870	0.233	2	116.1870	0.054	2	116.8392	0.881	17	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6,6a]C[5,6a]C[6])(C[5,6]C[5,6a]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(OC[5,6])(CH3)(O)	116.3625	0.182	2	116.3625	0.033	2	116.8392	0.881	17	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C(OC[5,6])(CH3)(O)	116.7416	0.708	5	116.8480	0.403	7	116.8392	0.881	17	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C(OC[5,6])(CH3)(O)	117.1140	0.467	2	116.8480	0.403	7	116.8392	0.881	17	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	C(OC[5,6])(CH3)(O)	119.3060	0.000	1	117.6435	2.373	4	116.8392	0.881	17	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CCO)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,2|H<1>,7|C<4>}	C(OC[5,6])(CH3)(O)	117.0893	1.310	3	117.6435	2.373	4	116.8392	0.881	17	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,6]2H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(CCHH)(O)	O(C[5,6]C[5,6]2H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C(OC[5,6])(CCHH)(O)	115.6960	0.000	1	115.6960	0.000	1	116.5294	3.183	7	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,6]2H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6]2H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){1|O<2>,3|C<4>,5|H<1>}	C(OC[5,6])(CH3)(O)	118.7915	0.668	2	116.6683	3.657	6	116.5294	3.183	7	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	2:4:1:	C[5,6]-4:C-3:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5,6]C[5,6]2H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6]2H)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C(OC[5,6])(CH3)(O)	115.6068	1.199	4	116.6683	3.657	6	116.5294	3.183	7	116.8779	1.851	33	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	3:2:1:	C[5,6]-4:C-3:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5,6]C[3x5,6]C[5,5,6]H)(CC[6a]O)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[3x5,6]C[5,5,6]H)(CC[6a]O)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5]H)(OC)(H){4|H<1>,5|C<4>}	C(C[6a]C[6a]2)(OC[5,6])(O)	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	117.4898	4.050	13	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	3:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OC)(H){2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(O)	117.3690	0.000	1	117.3690	0.000	1	116.8430	1.759	6	117.4898	4.050	13	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	3:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OC)(H){1|C<3>,4|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(O)	115.7100	0.447	2	115.7100	0.200	2	116.8430	1.759	6	117.4898	4.050	13	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	3:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(O)	118.5990	0.000	1	117.4230	2.371	3	116.8430	1.759	6	117.4898	4.050	13	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	3:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(O)	116.8350	1.633	2	117.4230	2.371	3	116.8430	1.759	6	117.4898	4.050	13	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	3:2:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	N-3:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6,6]H)(CNO)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H)	C(NC[6a]H)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CNO)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OC)(H){1|H<1>,2|C<4>}	C(NC[6a]H)(OC[5,6])(O)	113.6730	0.000	1	113.6730	0.000	1	113.6730	0.000	1	117.4898	4.050	13	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	3:2:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){2|O<2>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(O)	119.4675	1.531	4	119.0718	2.541	5	119.0718	2.541	5	117.4898	4.050	13	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	3:2:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OC)(H){3|C<4>,3|H<1>,3|O<2>}	C(C[6a]C[6a]2)(OC[5,6])(O)	117.4890	0.000	1	119.0718	2.541	5	119.0718	2.541	5	117.4898	4.050	13	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C(CC[6a]CH)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|O<2>,3|H<1>}	C(CC[6a]CH)(OC[5,6])(O)	116.8410	0.000	1	116.8410	0.000	1	115.9340	1.645	2	116.7956	1.701	9	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C(CC[6a]CO)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CCO)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6a]CO)(OC[5,6])(O)	115.0270	0.000	1	115.0270	0.000	1	115.9340	1.645	2	116.7956	1.701	9	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[3,6]-4:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C(C[3,6]N[3,6]C[3]C[6])(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C(C[3,6]N[3,6]C[3]C[6])(OC[5,6])(O)	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	116.7956	1.701	9	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[3]-4:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C(C[3]C[3]2H)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[3]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C(C[3]C[3]2H)(OC[5,6])(O)	116.6385	1.525	2	116.6385	2.326	2	116.6385	2.326	2	116.7956	1.701	9	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C(C[5,6]O[5,6]C[5]C[6])(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OC[5,6])(O)	116.8540	0.000	1	116.8540	0.000	1	116.9225	0.009	2	116.7956	1.701	9	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H)	C(C[5,6]C[5,5,6]N[5,6]H)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]O)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HH)(OC)(H){2|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]N[5,6]H)(OC[5,6])(O)	116.9910	0.000	1	116.9910	0.000	1	116.9225	0.009	2	116.7956	1.701	9	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H)	C(C[5]C[5]2H)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C(C[5]C[5]2H)(OC[5,6])(O)	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	116.7956	1.701	9	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:2:1:	4:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:O-2:O-1:	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OC)(H)	C(C[6]C[6]2H)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6]H)(CC[6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OC)(H){3|C<4>,3|H<1>}	C(C[6]C[6]2H)(OC[5,6])(O)	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	116.7956	1.701	9	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:3:2:	2:3:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	O-2:N-3:O-1:	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(COO)(OC)	C(OC[5,6])(NCC)(O)	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<4>,1|O<2>,2|H<1>}	C(OC[5,6])(NCC)(O)	115.9080	0.000	1	115.9080	0.000	1	115.4707	0.390	4	117.6861	4.889	9	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:3:2:	2:3:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	O-2:N-3:O-1:	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC)	C(OC[5,6])(NCC)(O)	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<3>,2|H<1>}	C(OC[5,6])(NCC)(O)	115.3250	0.676	3	115.3250	0.458	3	115.4707	0.390	4	117.6861	4.889	9	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:3:2:	2:3:1:	C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:C-3:O-1:	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C(OC[5,6])(CCH)(O)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(OC[5,6])(CCH)(O)	120.7190	0.000	1	119.4584	0.652	5	119.4584	0.652	5	117.6861	4.889	9	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:3:2:	2:3:1:	C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:C-3:O-1:	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	C(OC[5,6])(CCH)(O)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,2|C<4>,4|H<1>}	C(OC[5,6])(CCH)(O)	119.1432	0.455	4	119.4584	0.652	5	119.4584	0.652	5	117.6861	4.889	9	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:3:2:	2:3:2:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	O-2:N-3:O-2:	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC)	C(OC[5,6])(NCC)(OSn)	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<3>,2|H<1>}	C(OC[5,6])(NCC)(OSn)	119.5530	0.000	1	119.5530	0.000	1	119.5530	0.000	1	119.5530	0.000	1	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:3:2:	2:4:1:	C[5,6]-4:C-3:	C[5,5,6,6]-4:C[4,5,6]-4:C-3:O-2:	O-2:C-4:O-1:	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(CCO)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(COO)(OC)	C(OC[5,6])(CHHN)(O)	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(CCO)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(COO)(OC){1|C<3>,3|C<4>,4|H<1>}	C(OC[5,6])(CHHN)(O)	117.8640	0.000	1	117.8640	0.000	1	117.8640	0.000	1	119.3000	1.709	3	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:3:2:	2:4:1:	C[5,6]-4:C-3:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	O-2:C-4:O-1:	O(C[5,6]C[5,6,6]C[5]C[6])(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6,6]C[5]C[6])(CCO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(OC[5,6])(CH3)(O)	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	119.3000	1.709	3	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:3:2:	2:4:1:	C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:C-4:O-1:	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC){2|C<4>,4|H<1>}	C(OC[5,6])(CH3)(O)	119.6150	0.000	1	119.6150	0.000	1	119.6150	0.000	1	119.3000	1.709	3	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:3:2:	3:2:1:	C[5,6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|S<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(O)	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	119.1775	3.823	2	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:3:2:	3:2:1:	C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]C[5]H)(OC){1|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(O)	120.5600	0.000	1	120.5600	0.000	1	120.5600	0.000	1	119.1775	3.823	2	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:4:2:	2:4:1:	C[5,6]-4:C-3:	C[5,6]-4:C[5,6]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[5,6]C[5,6]2C)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCHH)(OC)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6]2C)(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCHH)(OC){1|O<1>,1|O<2>,6|H<1>}	C(OC[5,6])(CH3)(O)	120.8700	0.000	1	120.8700	0.000	1	120.8700	0.000	1	120.4246	1.888	7	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:4:2:	2:4:1:	C[5,6]-4:C-3:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:C-4:O-1:	O(C[5,6]C[5,6]2C[6])(CCO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6]2C[6])(CCO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OC){1|O<1>,3|C<4>,7|H<1>}	C(OC[5,6])(CH3)(O)	122.6620	0.000	1	122.6620	0.000	1	122.6620	0.000	1	120.4246	1.888	7	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:4:2:	2:4:1:	C[5,6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:C-4:O-1:	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC){2|C<4>,4|H<1>}	C(OC[5,6])(CH3)(O)	119.8030	0.000	1	119.8030	0.000	1	119.5910	0.973	4	120.4246	1.888	7	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:4:2:	2:4:1:	C[5,6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:C-4:O-1:	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(OC){1|O<2>,4|C<4>,4|H<1>}	C(OC[5,6])(CH3)(O)	119.9120	0.000	1	119.9120	0.000	1	119.5910	0.973	4	120.4246	1.888	7	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:4:2:	2:4:1:	C[5,6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:C-4:O-1:	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(OC[5,6])(CH3)(O)	118.1780	0.000	1	118.1780	0.000	1	119.5910	0.973	4	120.4246	1.888	7	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:4:2:	2:4:1:	C[5,6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:C-4:O-1:	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]N[6]HH)(OC){2|C<4>,2|H<1>,2|O<2>}	C(OC[5,6])(CH3)(O)	120.4710	0.000	1	120.4710	0.000	1	119.5910	0.973	4	120.4246	1.888	7	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:4:2:	2:4:1:	C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	O-2:C-4:O-1:	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC)	C(OC[5,6])(CH3)(O)	O(C[5,6]C[5,6]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HO)(C[5]O[5]HH)(OC){3|C<3>,3|H<1>}	C(OC[5,6])(CH3)(O)	121.0760	0.000	1	121.0760	0.000	1	121.0760	0.000	1	120.4246	1.888	7	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:4:2:	3:2:1:	C[5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5,6]C[5,5,6]2C)(CC[6a]O)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OC)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[5,5,6]2C)(CC[6a]O)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OC){1|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(O)	119.4530	0.000	1	119.4530	0.000	1	119.4530	0.000	1	120.2435	1.250	2	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5,6]	C	4:3:	4:4:4:2:	3:2:1:	C[5,6]-4:C-3:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC)	C(C[6a]C[6a]2)(OC[5,6])(O)	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5,6])(O)	121.0340	0.000	1	121.0340	0.000	1	121.0340	0.000	1	120.2435	1.250	2	117.4329	3.997	90	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-3:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]O[5]H)(CCO)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]O[5]H)(CCO)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(OC[5])(CH3)(O)	116.6220	0.000	1	116.6220	0.000	1	116.2635	0.257	2	116.1073	0.079	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-3:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]O[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]O[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OC)(H){1|O<1>,4|C<4>}	C(OC[5])(CH3)(O)	115.9050	0.000	1	115.9050	0.000	1	116.2635	0.257	2	116.1073	0.079	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6a]-3:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6a]O[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OC)(H)	C(OC[5])(CC3)(O)	O(C[5]C[5,6a]O[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C(OC[5])(CC3)(O)	116.0223	0.178	3	116.0223	0.032	3	116.0223	0.032	3	116.1073	0.079	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-3:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	C(OC[5])(CH3)(O)	116.0500	0.000	1	116.0500	0.000	1	116.0500	0.000	1	116.1073	0.079	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:2:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:O[5]-2:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]O[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]O[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	115.3210	0.000	1	115.3210	0.000	1	115.3210	0.000	1	115.8642	2.142	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:2:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:O-2:H-1:	O(C[5]C[5]O[5]H)(CC[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H)	C(C[5]C[5,5]C[5])(OC[5])(H)	O(C[5]C[5]O[5]H)(CC[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(OC)(H){1|C<4>,1|O<1>}	C(C[5]C[5,5]C[5])(OC[5])(H)	115.9728	1.609	5	115.9728	2.588	5	115.9728	2.588	5	115.8642	2.142	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:2:4:2:	2:3:1:	C[5]-4:C-3:	C[5]-3:O[5]-2:C-4:O-2:	O-2:C-3:H-1:	O(C[5]C[5]O[5]C)(CCH)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC)	C(OC[5])(CCH)(H)	O(C[5]C[5]O[5]C)(CCH)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC){2|C<3>}	C(OC[5])(CCH)(H)	115.7180	0.187	2	115.7180	0.035	2	117.2692	3.902	11	117.2692	3.902	11	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:2:4:2:	2:3:1:	C[5]-4:C-3:	C[5]-3:O[5]-2:C-4:O-2:	O-2:C-3:H-1:	O(C[5]C[5]O[5]C)(CCH)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC)	C(OC[5])(CCH)(H)	O(C[5]C[5]O[5]C)(CCH)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC){2|C<3>}	C(OC[5])(CCH)(H)	117.6139	2.034	9	117.6139	4.138	9	117.2692	3.902	11	117.2692	3.902	11	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:2:4:2:	3:2:1:	C[5]-4:C-3:	C[5]-3:O[5]-2:C-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5]O[5]C)(CC[6a]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]O[5]C)(CC[6a]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	120.0490	0.000	1	120.0490	0.000	1	120.0490	0.000	1	120.0490	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H){2|C<3>,2|H<1>}	C(OC[5])(CH3)(O)	116.1990	0.000	1	116.1990	0.000	1	116.1990	0.000	1	116.9150	0.666	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6a]-3:N[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6a]N[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6a]N[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(OC)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(OC[5])(CH3)(O)	117.2160	0.000	1	117.2160	0.000	1	117.7980	0.677	2	116.9150	0.666	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6a]-3:N[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6a]N[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6a]N[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)(H){1|N<2>,1|O<1>,4|C<3>}	C(OC[5])(CH3)(O)	118.3800	0.000	1	118.3800	0.000	1	117.7980	0.677	2	116.9150	0.666	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-3:N[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(OC)(H){2|C<3>}	C(OC[5])(CH3)(O)	116.3610	0.000	1	116.3610	0.000	1	116.6510	0.168	2	116.9150	0.666	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-3:N[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>}	C(OC[5])(CH3)(O)	116.9410	0.000	1	116.9410	0.000	1	116.6510	0.168	2	116.9150	0.666	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:1:	2:4:1:	C[5]-4:C-3:	N[5]-3:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]N[5]H)(CCO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]N[5]H)(CCO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(OC)(H){2|C<3>,2|N<2>}	C(OC[5])(CH3)(O)	116.3930	0.000	1	116.3930	0.000	1	116.3930	0.000	1	116.9150	0.666	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(OC)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	116.9918	0.426	9	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:N[5]-3:O-2:H-1:	N[6]-3:O-2:O-1:	O(C[5]C[5,6a]N[5]H)(CN[6]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(OC)(H)	C(N[6]C[6]2)(OC[5])(O)	O(C[5]C[5,6a]N[5]H)(CN[6]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(OC)(H){1|O<1>,2|C<3>,2|N<2>}	C(N[6]C[6]2)(OC[5])(O)	116.3780	0.291	3	116.3780	0.085	3	116.3780	0.085	3	116.9918	0.426	9	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-3:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC)(H){1|Si<4>,1|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	116.9740	0.000	1	116.9740	0.000	1	116.9740	0.000	1	116.9918	0.426	9	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-3:N[5]-3:O-2:H-1:	C[5]-3:O-2:H-1:	O(C[5]C[5]N[5]H)(CC[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H)	C(C[5]C[5,5]C[5])(OC[5])(H)	O(C[5]C[5]N[5]H)(CC[5]H)	C[5](C[5]C[5]H)(N[5]C[5]C)(OC)(H){1|C<4>,1|O<1>}	C(C[5]C[5,5]C[5])(OC[5])(H)	117.8420	0.000	1	117.8420	0.000	1	117.8420	0.000	1	116.9918	0.426	9	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-3:N[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]N[5]H)(CC[6a]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]N[5]H)(CC[6a]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	117.5470	0.114	3	117.5470	0.013	3	117.5470	0.013	3	116.9918	0.426	9	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:2:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	115.5760	0.000	1	115.5760	0.000	1	115.5760	0.000	1	118.0365	12.108	2	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:2:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[6a]O[5])(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[6a]O[5])(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(OC){1|O<1>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	118.0365	12.108	2	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:2:2:	3:2:2:	C[5]-4:C-3:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[6a]-3:O-2:N-2:	O(C[5]C[6a]C[5]N[5])(CC[6a]N)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC)	C(C[6a]C[6a]2)(OC[5])(NC)	O(C[5]C[6a]C[5]N[5])(CC[6a]N)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(OC[5])(NC)	116.2570	0.000	1	116.2570	0.000	1	116.2570	0.000	1	116.2570	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:3:2:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]2C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(CCO)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]2C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(CCO)(OC){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	117.6820	0.000	1	117.6820	0.000	1	117.6820	0.000	1	116.3537	2.433	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:3:2:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	116.7430	0.000	1	116.7430	0.000	1	115.6895	2.220	2	116.3537	2.433	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:3:2:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFN)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFN)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	114.6360	0.000	1	114.6360	0.000	1	115.6895	2.220	2	116.3537	2.433	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:4:2:	2:1:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:H-1:O-1:	O(C[5]C[5,6a]C[5]C)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	C(OC[5])(H)(O)	O(C[5]C[5,6a]C[5]C)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C(OC[5])(H)(O)	117.1480	0.000	2	117.1480	0.000	2	117.1480	0.000	2	117.1480	0.000	2	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:4:2:	2:3:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:C-3:O-1:	O(C[5]C[5,6a]C[5]C)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	C(OC[5])(CHH)(O)	O(C[5]C[5,6a]C[5]C)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|H<1>,1|S<4>,2|C<3>}	C(OC[5])(CHH)(O)	116.6640	0.000	1	116.6640	0.000	1	116.6640	0.000	1	116.6640	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:4:2:	2:4:1:	C[5]-4:C-3:	C[5]-3:C[5]-3:C-4:O-2:	O-2:C-4:O-1:	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC){1|C<3>}	C(OC[5])(CH3)(O)	114.8720	0.000	1	114.8720	0.000	1	114.8720	0.000	1	114.8720	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:4:2:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	118.8510	0.000	1	118.8510	0.000	1	117.5222	1.322	4	117.5222	1.322	4	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:4:2:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	118.1140	0.000	1	118.1140	0.000	1	117.5222	1.322	4	117.5222	1.322	4	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:4:2:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	116.5090	0.000	1	116.5090	0.000	1	117.5222	1.322	4	117.5222	1.322	4	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:4:2:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[5]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	116.6150	0.000	1	116.6150	0.000	1	117.5222	1.322	4	117.5222	1.322	4	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:3:4:2:	4:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C-4:O-2:O-1:	O(C[5]C[5,6a]2C)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC)	C(CClHH)(OC[5])(O)	O(C[5]C[5,6a]2C)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC){1|H<1>,4|C<3>}	C(CClHH)(OC[5])(O)	116.8545	0.115	2	116.8545	0.013	2	116.8545	0.013	2	116.8545	0.013	2	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6a]C[5,5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6a]C[5,5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OC)(H){2|C<3>,2|C<4>,4|H<1>}	C(OC[5])(CH3)(O)	116.9335	0.418	2	116.9335	0.175	2	116.9335	0.175	2	117.1172	0.309	14	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(OC)(H){2|C<3>,3|H<1>}	C(OC[5])(CH3)(O)	116.4240	0.000	1	116.4240	0.000	1	117.1478	0.342	12	117.1172	0.309	14	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H)	C(OC[5])(CCHN)(O)	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H){2|C<3>,3|H<1>}	C(OC[5])(CCHN)(O)	117.3613	0.535	6	117.3613	0.286	6	117.1478	0.342	12	117.1172	0.309	14	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OC)(H){1|H<1>,4|C<3>}	C(OC[5])(CH3)(O)	117.7860	0.000	1	117.7860	0.000	1	117.1478	0.342	12	117.1172	0.309	14	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OC)(H){1|H<1>,3|C<3>}	C(OC[5])(CH3)(O)	117.0503	0.376	3	117.0503	0.141	3	117.1478	0.342	12	117.1172	0.309	14	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H)	C(OC[5])(CCHN)(O)	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(OC)(H){2|C<3>,2|H<1>}	C(OC[5])(CCHN)(O)	116.2450	0.000	1	116.2450	0.000	1	117.1478	0.342	12	117.1172	0.309	14	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5,5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5,6]C[5,6a]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5,6]C[5,6a]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.5870	0.000	1	116.5870	0.000	1	116.5870	0.000	1	116.3757	1.887	7	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OC)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	117.8320	0.000	1	117.8320	0.000	1	116.5908	2.348	5	116.3757	1.887	7	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OC)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	116.4460	0.000	1	116.4460	0.000	1	116.5908	2.348	5	116.3757	1.887	7	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(OC)(H){2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.3185	0.508	2	117.3185	0.258	2	116.5908	2.348	5	116.3757	1.887	7	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6a]C[5]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	114.0390	0.000	1	114.0390	0.000	1	116.5908	2.348	5	116.3757	1.887	7	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]C[5])(C[5]Si[5]HH)(OC)(H){2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	116.3757	1.887	7	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5,6a]-3:C[5]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OC)(H)	C(CClHH)(OC[5])(O)	O(C[5]C[5,6a]C[5]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OC)(H){1|H<1>,5|C<3>}	C(CClHH)(OC[5])(O)	117.1410	0.000	1	117.1410	0.000	1	117.1410	0.000	1	117.1410	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:2:2:	2:4:1:	C[5]-4:C-3:	C[6a]-3:C[5]-4:O[5]-2:O-2:	O-2:C-4:O-1:	O(C[5]C[6a]C[5]O[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC)	C(OC[5])(CH3)(O)	O(C[5]C[6a]C[5]O[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(OC[5])(CH3)(O)	118.2610	0.000	1	118.2610	0.000	1	118.2610	0.000	1	118.2610	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	3:4:3:2:	2:4:1:	C[5]-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:C-4:O-1:	O(C[5]C[6a]C[5]2)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[6a]C[5]2)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC){1|C<4>,3|C<3>,3|H<1>}	C(OC[5])(CH3)(O)	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5,6]-4:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5,6]O[5]H)(CCO)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5,6]O[5]H)(CCO)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(OC[5])(CH3)(O)	116.3000	0.000	1	116.3000	0.000	1	116.3000	0.000	1	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6,6]O[5]H)(CCO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6,6]O[5]H)(CCO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(OC)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(OC[5])(CH3)(O)	115.3420	0.000	1	115.3420	0.000	1	115.3420	0.000	1	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]O[5]H)(CCO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]O[5]H)(CCO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OC)(H){2|H<1>,5|C<4>}	C(OC[5])(CH3)(O)	118.7050	0.000	1	118.7050	0.000	1	117.6705	2.140	2	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]O[5]H)(CCO)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]O[5]H)(CCO)	C[5](C[5,6]C[5,6]2C)(O[5]C[5,6])(OC)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C(OC[5])(CH3)(O)	116.6360	0.000	1	116.6360	0.000	1	117.6705	2.140	2	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:N[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]N[5]HO)(N[5]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]N[5]HO)(N[5]C[5])(OC)(H){1|C<4>,1|N<3>}	C(OC[5])(CH3)(O)	116.1650	0.000	1	116.1650	0.000	1	116.1650	0.000	1	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	115.1852	0.907	4	115.1852	0.822	4	116.0412	1.031	12	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(OC[5])(CH3)(O)	115.2910	0.000	1	115.2910	0.000	1	116.0412	1.031	12	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]BrH)(O[5]C[5])(OC)(H){1|C<3>,3|H<1>}	C(OC[5])(CH3)(O)	115.5430	0.000	1	115.5430	0.000	1	116.0412	1.031	12	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|C<3>,2|C<4>}	C(OC[5])(CH3)(O)	116.7950	0.000	1	116.6797	0.069	3	116.0412	1.031	12	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]HH)(O[5]N[5])(OC)(H){1|H<1>,2|C<3>}	C(OC[5])(CH3)(O)	116.6220	0.342	2	116.6797	0.069	3	116.0412	1.031	12	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	116.7250	0.953	2	116.7250	0.909	2	116.0412	1.031	12	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]S[5]HH)(O[5]C[5])(OC)(H){1|C<3>,1|H<1>}	C(OC[5])(CH3)(O)	117.4300	0.000	1	117.4300	0.000	1	116.0412	1.031	12	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:S[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]S[5]H)(CCO)	C[5](C[5]C[4,5]CC)(S[5]C[4,5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]S[5]H)(CCO)	C[5](C[5]C[4,5]CC)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|O<2>}	C(OC[5])(CH3)(O)	116.2350	0.000	1	116.2350	0.000	1	115.6100	0.349	3	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:S[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]S[5]H)(CCO)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]S[5]H)(CCO)	C[5](C[5]C[4,5]CH)(S[5]C[4,5])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[5])(CH3)(O)	115.5350	0.000	1	115.5350	0.000	1	115.6100	0.349	3	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:S[5]-2:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]S[5]H)(CCO)	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]S[5]H)(CCO)	C[5](C[5]C[5]HO)(S[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	115.0600	0.000	1	115.0600	0.000	1	115.6100	0.349	3	116.1236	1.078	20	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]O[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]O[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	115.7770	0.000	1	115.7770	0.000	1	116.0215	0.120	2	116.4777	1.139	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]O[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]O[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.2660	0.000	1	116.2660	0.000	1	116.0215	0.120	2	116.4777	1.139	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]O[5]H)(CC[6a]O)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]O[5]H)(CC[6a]O)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OC)(H){1|H<1>,1|P<4>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	117.7210	0.000	1	117.7210	0.000	1	116.7057	1.650	4	116.4777	1.139	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]O[5]H)(CC[6a]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]O[5]H)(CC[6a]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(OC[5])(O)	114.9130	0.000	1	116.3673	1.788	3	116.7057	1.650	4	116.4777	1.139	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]O[5]H)(CC[6a]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]O[5]H)(CC[6a]O)	C[5](C[5]C[5]HN)(O[5]C[5])(OC)(H){4|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.0945	0.636	2	116.3673	1.788	3	116.7057	1.650	4	116.4777	1.139	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	4:2:1:	C[5]-4:C-3:	C[5,5]-4:O[5]-2:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5,5]O[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H)	C(CC[6a]HH)(OC[5])(O)	O(C[5]C[5,5]O[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6a]HH)(OC[5])(O)	115.3970	0.000	1	115.3970	0.000	1	115.3970	0.000	1	115.6677	0.055	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	4:2:1:	C[5]-4:C-3:	C[5,6,6]-4:O[5]-2:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5,6,6]O[5]H)(CCO)	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H)	C(CC[6a]CO)(OC[5])(O)	O(C[5]C[5,6,6]O[5]H)(CCO)	C[5](C[5,6,6]C[5,5,6]C[5,6,6]C[6])(O[5]C[5,5])(OC)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(CC[6a]CO)(OC[5])(O)	115.8250	0.000	1	115.8250	0.000	1	115.8250	0.000	1	115.6677	0.055	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H)	C(CC[6a]CO)(OC[5])(O)	O(C[5]C[5]O[5]H)(CCO)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(CC[6a]CO)(OC[5])(O)	115.7810	0.000	1	115.7810	0.000	1	115.7810	0.000	1	115.6677	0.055	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:4:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:C-4:O-2:	O-2:C-4:O-1:	O(C[5]C[5]O[5]C)(CCO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]O[5]C)(CCO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC){1|C<3>,1|H<1>,2|C<4>}	C(OC[5])(CH3)(O)	119.3840	0.000	1	119.3840	0.000	1	119.6260	0.117	2	120.1097	0.760	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:4:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:C-4:O-2:	O-2:C-4:O-1:	O(C[5]C[5]O[5]C)(CCO)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]O[5]C)(CCO)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OC){1|O<1>,2|H<1>}	C(OC[5])(CH3)(O)	119.8680	0.000	1	119.8680	0.000	1	119.6260	0.117	2	120.1097	0.760	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:2:4:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:O[5]-2:P-4:O-2:	O-2:C-4:O-1:	O(C[5]C[5]O[5]P)(CCO)	C[5](C[5]C[5]HH)(O[5]N[5])(PO3)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]O[5]P)(CCO)	C[5](C[5]C[5]HH)(O[5]N[5])(PO3)(OC){1|C<3>}	C(OC[5])(CH3)(O)	121.0770	0.000	1	121.0770	0.000	1	121.0770	0.000	1	120.1097	0.760	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:O-2:O-1:	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H)	C(OC[5])(OC)(O)	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H){2|H<1>}	C(OC[5])(OC)(O)	115.8330	0.000	1	115.8330	0.000	1	115.3573	0.220	3	115.3573	0.220	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:O-2:O-1:	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H)	C(OC[5])(OC[6])(O)	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H){2|H<1>}	C(OC[5])(OC[6])(O)	115.3430	0.000	1	115.3430	0.000	1	115.3573	0.220	3	115.3573	0.220	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:O-2:O-1:	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H)	C(OC[5])(OC)(O)	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(OC[5])(OC)(O)	114.8960	0.000	1	114.8960	0.000	1	115.3573	0.220	3	115.3573	0.220	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:3:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:N-3:O-1:	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	C(OC[5])(NCH)(O)	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){4|H<1>}	C(OC[5])(NCH)(O)	116.6730	0.000	1	116.6730	0.000	1	116.6730	0.000	1	116.6730	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[3,5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(OC)(H)	C(OC[5])(CC3)(O)	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[5])(CC3)(O)	115.5560	0.000	1	115.5560	0.000	1	115.5560	0.000	1	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5,3x6]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,3x6]C[5]H)(CCO)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,3x6]C[5]H)(CCO)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(OC[5])(CH3)(O)	116.2870	0.000	1	116.7815	0.489	2	116.7815	0.489	2	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5,3x6]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,3x6]C[5]H)(CCO)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,3x6]C[5]H)(CCO)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OC)(H){3|H<1>,3|O<2>,4|C<4>}	C(OC[5])(CH3)(O)	117.2760	0.000	1	116.7815	0.489	2	116.7815	0.489	2	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6a]C[5,5]H)(CCO)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H)	C(OC[5])(CC3)(O)	O(C[5]C[5,6a]C[5,5]H)(CCO)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|H<1>,1|O<2>,5|C<3>}	C(OC[5])(CC3)(O)	116.6210	0.649	2	116.6210	0.421	2	116.6210	0.421	2	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(OC[5])(CH3)(O)	114.0860	0.000	1	114.0860	0.000	1	114.0860	0.000	1	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:N[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5]N[5]H)(CCO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]N[5]H)(CCO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|C<4>,2|H<1>,4|C<3>}	C(OC[5])(CH3)(O)	116.9870	0.000	1	116.9870	0.000	1	116.9870	0.000	1	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(OC[5])(CH3)(O)	119.2600	0.000	1	118.5535	0.998	2	118.5535	0.998	2	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	C(OC[5])(CH3)(O)	117.8470	0.000	1	118.5535	0.998	2	118.5535	0.998	2	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H)	C(OC[5])(CCCO)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(OC[5])(CCCO)(O)	117.8915	0.948	2	117.8915	0.899	2	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]HO)(C[5]O[5]C)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]HO)(C[5]O[5]C)(OC)(H){1|C<4>,1|O<2>}	C(OC[5])(CH3)(O)	116.5100	0.833	2	116.5100	0.694	2	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(OC)(H){1|C<3>,3|H<1>}	C(OC[5])(CH3)(O)	117.6695	2.286	2	117.6695	5.226	2	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]O)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]O)(OC)(H){1|H<1>,3|C<4>}	C(OC[5])(CH3)(O)	116.8090	0.000	1	116.8090	0.000	1	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OC)(H){1|C<4>,1|H<1>}	C(OC[5])(CH3)(O)	117.6630	0.000	1	117.6630	0.000	1	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OC)(H){1|N<3>,2|H<1>}	C(OC[5])(CH3)(O)	118.9000	0.000	1	118.9000	0.000	1	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(OC[5])(CH3)(O)	118.1380	0.000	1	116.8036	0.664	5	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|O<1>}	C(OC[5])(CH3)(O)	116.7650	0.076	2	116.8036	0.664	5	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<4>,1|O<1>}	C(OC[5])(CH3)(O)	116.1750	0.279	2	116.8036	0.664	5	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OC)(H){1|O<1>}	C(OC[5])(CH3)(O)	116.6275	0.349	2	116.6275	0.122	2	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H){1|C<4>,3|C<3>}	C(OC[5])(CH3)(O)	115.1320	0.000	1	115.1320	0.000	1	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H)	C(OC[5])(CHHO)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H){1|S<4>,2|H<1>}	C(OC[5])(CHHO)(O)	116.6830	0.000	1	116.6830	0.000	1	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OC)(H){1|O<1>}	C(OC[5])(CH3)(O)	116.3730	0.307	2	116.3730	0.094	2	116.9674	1.135	20	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:N[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C(OC[5])(CH3)(O)	116.9523	0.527	3	116.9523	0.278	3	117.2288	0.491	4	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:N[5]-3:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]N[5]HO)(N[5]C[5]N)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]N[5]H)(CCO)	C[5](C[5]N[5]HO)(N[5]C[5]N)(OC)(H){1|C<4>}	C(OC[5])(CH3)(O)	118.0580	0.000	1	118.0580	0.000	1	117.2288	0.491	4	116.9335	1.276	33	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[3x5]-4:C[5]-3:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[5]C[3x5]C[5]H)(CC[5a]O)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]C)(OC)(H)	C(C[5a]C[5a]N[5a])(OC[5])(O)	O(C[5]C[3x5]C[5]H)(CC[5a]O)	C[5](C[3x5]C[3x5]C[5,6]O[5])(C[5]C[5]C)(OC)(H){1|B<3>,1|O<2>,5|C<4>}	C(C[5a]C[5a]N[5a])(OC[5])(O)	116.4390	0.000	1	116.4390	0.000	1	116.4390	0.000	1	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5,6]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	115.7540	0.000	1	115.7540	0.000	1	115.7540	0.000	1	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5,6]-4:N[5]-3:O-2:H-1:	N-3:O-2:O-1:	O(C[5]C[5,5,6]N[5]H)(CNO)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OC)(H)	C(NC[6a]H)(OC[5])(O)	O(C[5]C[5,5,6]N[5]H)(CNO)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OC)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C(NC[6a]H)(OC[5])(O)	117.3850	0.286	2	117.3850	0.082	2	117.3850	0.082	2	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[5a]O)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H)	C(C[5a]C[5a]N[5a])(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[5a]O)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H){1|O<2>,5|C<4>}	C(C[5a]C[5a]N[5a])(OC[5])(O)	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OC)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:N[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]N[5]H)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]S)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]N[5]H)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]S)(OC)(H){1|O<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	114.0710	0.000	1	114.0710	0.000	1	114.0710	0.000	1	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[5a]O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(OC)(H)	C(C[5a]C[5a,6]N[5a])(OC[5])(O)	O(C[5]C[5]2H)(CC[5a]O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(OC)(H){1|O<2>,2|C<4>}	C(C[5a]C[5a,6]N[5a])(OC[5])(O)	114.8000	0.000	1	114.8000	0.000	1	114.8000	0.000	1	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]FF)(C[5]C[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]FF)(C[5]C[5]H)(OC)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.8570	0.000	1	117.8570	0.000	1	116.8519	1.366	15	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(OC)(H){1|N<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	118.1040	0.000	1	118.1040	0.000	1	116.8519	1.366	15	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	114.9870	0.000	1	115.9517	0.698	3	116.8519	1.366	15	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OC)(H){3|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	116.4340	0.000	2	115.9517	0.698	3	116.8519	1.366	15	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H){3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	115.2970	0.000	1	115.2970	0.000	1	116.8519	1.366	15	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.9540	0.000	1	118.2057	0.415	3	116.8519	1.366	15	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OC)(H){2|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	118.3315	0.858	2	118.2057	0.415	3	116.8519	1.366	15	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.7280	0.000	1	117.7280	0.000	1	116.8519	1.366	15	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.7480	0.000	1	116.7480	0.000	1	116.8519	1.366	15	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5]HH)(C[5]C[5]C)(OC)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.9840	0.000	1	116.9840	0.000	1	116.8519	1.366	15	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]S[5]HH)(C[5]C[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]S[5]HH)(C[5]C[5]H)(OC)(H){1|H<1>,2|O<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.0640	0.000	2	116.0640	0.000	2	116.8519	1.366	15	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]Si[5]HH)(C[5]C[5]H)(OC)(H){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	115.4610	0.000	1	115.4610	0.000	1	116.8519	1.366	15	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:N[5]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]N[5]H)(CC[6a]O)	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5]C)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]N[5]H)(CC[6a]O)	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5]C)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	116.7760	0.000	1	116.7760	0.000	1	116.7760	0.000	1	116.6429	1.637	24	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	4:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5,6a]C[5,6]H)(CCO)	C[5](C[5,6]C[6,6a]C[5,6]Br)(C[5,6a]C[5,6a]C[6a])(OC)(H)	C(CC[6]HH)(OC[5])(O)	O(C[5]C[5,6a]C[5,6]H)(CCO)	C[5](C[5,6]C[6,6a]C[5,6]Br)(C[5,6a]C[5,6a]C[6a])(OC)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(CC[6]HH)(OC[5])(O)	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1	117.9744	4.390	5	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CC)(C[5]N[5]O)(OC)(H)	C(CC[5a]CH)(OC[5])(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CC)(C[5]N[5]O)(OC)(H){1|C<3>,2|H<1>}	C(CC[5a]CH)(OC[5])(O)	115.4940	0.000	1	115.4940	0.000	1	116.0780	0.682	2	117.9744	4.390	5	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H)	C(CC[6a]CH)(OC[5])(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H){2|H<1>}	C(CC[6a]CH)(OC[5])(O)	116.6620	0.000	1	116.6620	0.000	1	116.0780	0.682	2	117.9744	4.390	5	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6]-4:O-2:O-1:	O(C[5]C[5]2H)(CC[6]O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H)	C(C[6]C[5,6]C[6]H)(OC[5])(O)	O(C[5]C[5]2H)(CC[6]O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H){2|H<1>}	C(C[6]C[5,6]C[6]H)(OC[5])(O)	118.9200	0.000	1	118.9200	0.000	1	118.3895	0.563	2	117.9744	4.390	5	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:O-2:H-1:	C[6]-4:O-2:O-1:	O(C[5]C[5]2H)(CC[6]O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H)	C(C[6]C[6]O[6]H)(OC[5])(O)	O(C[5]C[5]2H)(CC[6]O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC)(H){2|H<1>}	C(C[6]C[6]O[6]H)(OC[5])(O)	117.8590	0.000	1	117.8590	0.000	1	118.3895	0.563	2	117.9744	4.390	5	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:2:2:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-3:C-2:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2C)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2C)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OC){2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	120.1310	0.000	1	120.1310	0.000	1	120.1310	0.000	1	120.1310	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:3:2:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-3:C-3:O-2:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(COO)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(COO)(OC){2|C<4>,3|H<1>}	C(OC[5])(CH3)(O)	117.9635	0.853	2	117.9635	0.728	2	117.9635	0.728	2	117.9635	0.728	2	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:3:2:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6]C[5]C)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6]C[5]C)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(COO)(OC){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	119.4390	0.000	1	119.4390	0.000	1	119.4390	0.000	1	119.4390	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:3:4:2:	3:2:4:	C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:O-2:	C-3:O-2:C-4:	O(C[5]C[5]N[5]C)(CCC)	C[5](C[5]N[5]CH)(N[5]C[5]S)(CC[6a]HH)(OC)	C(CC[6a]H)(OC[5])(CCHH)	O(C[5]C[5]N[5]C)(CCC)	C[5](C[5]N[5]CH)(N[5]C[5]S)(CC[6a]HH)(OC){1|H<1>}	C(CC[6a]H)(OC[5])(CCHH)	121.1080	0.000	1	121.1080	0.000	1	121.1080	0.000	1	121.1080	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-2:H-1:	O(C[5]C[5,5]C[5]H)(CCH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CC)(H)	O(C[5]C[5,5]C[5]H)(CCH)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[5])(CC)(H)	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	118.0573	6.674	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[5]C[5,5]C[5]H)(COO)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H)	C(OC[5])(OC)(O)	O(C[5]C[5,5]C[5]H)(COO)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[6a]C[5]H)(OC)(H){5|C<3>}	C(OC[5])(OC)(O)	117.5340	0.000	1	117.5340	0.000	1	117.5340	0.000	1	118.0573	6.674	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:2:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:S-2:S-1:	O(C[5]C[5,6,6]C[5]H)(CSS)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	C(OC[5])(SC)(S)	O(C[5]C[5,6,6]C[5]H)(CSS)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C(OC[5])(SC)(S)	121.7150	0.000	1	121.7150	0.000	1	121.7150	0.000	1	118.0573	6.674	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	N-2:O-2:O-1:	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	C(NC[6a])(OC[5])(O)	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){2|C<4>,5|H<1>}	C(NC[6a])(OC[5])(O)	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	118.0573	6.674	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:O-2:O-1:	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H)	C(OC[5])(OC)(O)	O(C[5]C[5]2H)(COO)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	C(OC[5])(OC)(O)	116.0420	0.000	1	116.0420	0.000	1	116.0420	0.000	1	118.0573	6.674	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:O-2:S-1:	O(C[5]C[5]2H)(COS)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C(OC[6a])(OC[5])(S)	O(C[5]C[5]2H)(COS)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	C(OC[6a])(OC[5])(S)	119.5100	0.000	1	119.5100	0.000	1	119.5100	0.000	1	118.0573	6.674	6	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:3:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CCH)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H){1|N<3>,2|C<4>,7|H<1>}	C(OC[5])(CCH)(O)	115.2920	0.000	1	115.2920	0.000	1	116.2000	0.926	3	116.6329	1.582	15	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:3:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CCC)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(OC[5])(CCC)(O)	116.6540	0.785	2	116.6540	0.616	2	116.2000	0.926	3	116.6329	1.582	15	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:3:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:N-3:O-1:	O(C[5]C[5,5]C[5]H)(CNO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H)	C(OC[5])(NCH)(O)	O(C[5]C[5,5]C[5]H)(CNO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(OC[5])(NCH)(O)	116.8535	0.381	2	116.8535	0.145	2	116.8535	0.145	2	116.6329	1.582	15	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:3:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-3:H-1:	O(C[5]C[5,6]C[5]H)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CHH)(H)	O(C[5]C[5,6]C[5]H)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C(OC[5])(CHH)(H)	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	116.6329	1.582	15	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:3:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CCH)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C(OC[5])(CCH)(O)	117.9250	2.063	2	117.9250	4.257	2	117.5297	2.598	3	116.6329	1.582	15	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:3:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H)	C(OC[5])(CCC)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5,6,6]HO)(OC)(H){2|H<1>,3|C<4>}	C(OC[5])(CCC)(O)	116.7390	0.000	1	116.7390	0.000	1	117.5297	2.598	3	116.6329	1.582	15	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:3:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-3:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H)	C(OC[5])(CCH)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(OC[5])(CCH)(O)	116.8400	1.300	4	116.8400	1.690	4	116.8400	1.690	4	116.6329	1.582	15	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:3:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:N-3:O-1:	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C(OC[5])(NCH)(O)	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|C<4>,2|H<1>}	C(OC[5])(NCH)(O)	116.1465	1.821	2	116.1465	3.315	2	116.1465	3.315	2	116.6329	1.582	15	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:3:3:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-3:C-3:	O(C[5]C[5,5]C[5]H)(CCC)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CCO)(COO)	O(C[5]C[5,5]C[5]H)(CCC)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C(OC[5])(CCO)(COO)	113.1160	0.000	1	113.1160	0.000	1	113.1160	0.000	1	113.1160	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[3,5]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[3,5]C[5,6]H)(CCO)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C(OC[5])(CCCH)(O)	O(C[5]C[3,5]C[5,6]H)(CCO)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C(OC[5])(CCCH)(O)	125.5360	0.000	1	125.5360	0.000	1	125.5360	0.000	1	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[3,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(OC[5])(CH3)(O)	117.9940	1.233	4	118.1967	1.077	6	118.1967	1.077	6	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[3,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[5])(CH3)(O)	119.0110	0.000	1	118.1967	1.077	6	118.1967	1.077	6	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[3,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,4|H<1>}	C(OC[5])(CH3)(O)	118.1930	0.000	1	118.1967	1.077	6	118.1967	1.077	6	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[4,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[4,5]C[5]H)(CCO)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[4,5]C[5]H)(CCO)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C(OC[5])(CH3)(O)	116.4580	0.000	1	116.4580	0.000	1	116.4580	0.000	1	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,3x6]C[5,5]H)(CCO)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,3x6]C[5,5]H)(CCO)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]C[5a])(OC)(H){1|H<1>,1|O<1>,1|S<2>,2|N<3>,5|C<3>}	C(OC[5])(CH3)(O)	117.1915	0.224	2	117.1915	0.050	2	117.1915	0.050	2	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5,6]C[5]H)(CCO)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5,6]C[5]H)(CCO)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(OC[5])(CH3)(O)	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5,5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5]2H)(CCO)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]2H)(CCO)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]H)(OC)(H){1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C(OC[5])(CH3)(O)	116.9960	0.000	1	116.9960	0.000	1	116.9960	0.000	1	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5]C[5,6]H)(CCO)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]C[5,6]H)(CCO)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6]O)(OC)(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C(OC[5])(CH3)(O)	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C(OC[5])(CH3)(O)	117.0680	0.000	1	117.0680	0.000	1	116.7430	0.410	10	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C(OC[5])(CH3)(O)	116.6910	0.000	1	116.6910	0.000	1	116.7430	0.410	10	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C(OC[5])(CH3)(O)	117.1180	0.000	1	117.1180	0.000	1	116.7430	0.410	10	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>}	C(OC[5])(CH3)(O)	115.8415	0.045	2	115.9420	0.031	3	116.7430	0.410	10	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>,1|N<3>}	C(OC[5])(CH3)(O)	116.1430	0.000	1	115.9420	0.031	3	116.7430	0.410	10	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C(OC[5])(CH3)(O)	117.0280	0.000	1	116.8435	0.068	2	116.7430	0.410	10	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(OC[5])(CH3)(O)	116.6590	0.000	1	116.8435	0.068	2	116.7430	0.410	10	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]N[5,6a]C[5,5]H)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C(OC[5])(CH3)(O)	117.5200	0.396	2	117.5200	0.157	2	116.7430	0.410	10	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,5,6]C[5,6a]C[5,6]2)(OC)(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C(OC[5])(CH3)(O)	117.0690	0.000	1	117.0690	0.000	1	117.4742	0.845	4	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	C(OC[5])(CH3)(O)	118.5210	0.000	1	117.4715	2.203	2	117.4742	0.845	4	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|N<3>,1|O<2>,2|H<1>,7|C<4>}	C(OC[5])(CH3)(O)	116.4220	0.000	1	117.4715	2.203	2	117.4742	0.845	4	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,5,6]C[5,6,6]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5,5,6]C[5,6,6]2O[5])(OC)(H){1|H<1>,1|N<3>,1|O<2>,8|C<4>}	C(OC[5])(CH3)(O)	117.8850	0.000	1	117.8850	0.000	1	117.4742	0.845	4	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]HO)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	C(OC[5])(CH3)(O)	119.1290	0.000	1	119.1290	0.000	1	117.8413	1.277	9	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C(OC[5])(CH3)(O)	116.9770	0.000	1	116.9770	0.000	1	117.8413	1.277	9	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(OC[5])(CH3)(O)	118.9930	0.000	1	118.9930	0.000	1	117.8413	1.277	9	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C(OC[5])(CH3)(O)	118.2032	0.567	4	118.2032	0.322	4	117.8413	1.277	9	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H)	C(OC[5])(CC3)(O)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]N[6a]O[5]H)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C(OC[5])(CC3)(O)	115.8660	0.000	1	115.8660	0.000	1	117.8413	1.277	9	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H)	C(OC[5])(CC3)(O)	O(C[5]C[5,6,6]C[5]H)(CCO)	C[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]O[5]HS)(OC)(H){3|C<4>,3|H<1>}	C(OC[5])(CC3)(O)	116.7940	0.000	1	116.7940	0.000	1	117.8413	1.277	9	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[3,5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[3,5]C[5,6]H)(CCO)	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[3,5]C[5,6]H)(CCO)	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H){1|H<1>,5|C<4>}	C(OC[5])(CH3)(O)	118.7080	0.000	1	118.7080	0.000	1	118.7080	0.000	1	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C(OC[5])(CH3)(O)	116.6115	0.252	2	116.6115	0.064	2	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5]CC)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C(OC[5])(CH3)(O)	117.4060	0.000	1	117.4060	0.000	1	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(OC[5])(CH3)(O)	117.2690	0.000	1	117.2690	0.000	1	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,5|C<4>}	C(OC[5])(CH3)(O)	115.4130	0.000	1	115.4130	0.000	1	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C(OC[5])(CH3)(O)	116.8148	0.999	5	116.8148	0.998	5	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(OC)(H){1|H<1>,2|C<3>,2|C<4>,4|O<2>}	C(OC[5])(CH3)(O)	117.8570	0.000	1	117.8570	0.000	1	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CCHH)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C(OC[5])(CCHH)(O)	117.8770	0.290	2	117.8770	0.084	2	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C(OC[5])(CH3)(O)	117.9164	0.873	9	117.9164	0.763	9	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(OC[5])(CH3)(O)	116.8510	0.000	1	116.8510	0.000	1	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CCCH)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C(OC[5])(CCCH)(O)	116.7900	0.000	1	116.7900	0.000	1	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	C(OC[5])(CH3)(O)	116.3720	0.000	1	116.3720	0.000	1	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C(OC[5])(CH3)(O)	117.9820	0.000	1	117.9820	0.000	1	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C(OC[5])(CH3)(O)	116.4110	0.764	5	116.4110	0.583	5	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CC3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(OC[5])(CC3)(O)	117.9840	0.000	1	117.9840	0.000	1	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){2|O<2>,4|C<4>,4|H<1>}	C(OC[5])(CH3)(O)	118.2070	0.000	1	118.2070	0.000	1	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(OC[5])(CH3)(O)	117.3885	0.592	2	117.3885	0.350	2	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C(OC[5])(CH3)(O)	116.5570	0.000	1	116.3290	0.706	3	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,3|H<1>}	C(OC[5])(CH3)(O)	117.0320	0.000	1	116.3290	0.706	3	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OC)(H){3|C<4>,4|H<1>}	C(OC[5])(CH3)(O)	115.3980	0.000	1	116.3290	0.706	3	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]N[6,6a]O[5,6]H)(C[5]C[5,6]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[5])(CH3)(O)	114.5060	0.000	1	114.5060	0.000	1	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	116.1660	0.000	1	116.1660	0.000	1	117.0730	1.060	40	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[4,5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,2|C<3>}	C(OC[5])(CH3)(O)	116.4540	0.000	1	116.4540	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	117.2940	0.192	2	117.2940	0.037	2	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OC)(H){1|H<1>,2|C<4>}	C(OC[5])(CH3)(O)	116.9840	0.000	1	116.9840	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OC)(H){1|H<1>,2|C<4>}	C(OC[5])(CH3)(O)	117.0810	0.000	1	117.0810	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(OC[5])(CH3)(O)	117.1770	0.158	2	117.1993	0.945	9	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C(OC[5])(CH3)(O)	117.9887	0.532	4	117.1993	0.945	9	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C(OC[5])(CH3)(O)	116.1617	0.695	3	117.1993	0.945	9	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[5])(CH3)(O)	116.6880	0.000	1	116.6880	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CCHH)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C(OC[5])(CCHH)(O)	119.1870	0.000	1	119.1870	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<4>}	C(OC[5])(CH3)(O)	116.2450	0.000	1	116.2450	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	C(OC[5])(CH3)(O)	117.2850	0.000	1	117.2850	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OC)(H){1|O<2>,2|C<3>,3|C<4>}	C(OC[5])(CH3)(O)	118.3260	0.000	1	118.3260	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]C[5]HO)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C(OC[5])(CH3)(O)	116.9685	2.876	2	116.9685	8.270	2	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C(OC[5])(CH3)(O)	119.8730	0.000	1	119.8730	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CCHH)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(CCHH)(O)	120.2360	0.000	1	120.2360	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	C(OC[5])(CCHH)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(CCHH)(O)	117.6050	0.000	1	117.6050	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	118.4383	0.336	3	118.4383	0.113	3	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CCCH)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(OC[5])(CCCH)(O)	116.2990	0.000	1	116.2990	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(OC[5])(CH3)(O)	116.0840	0.000	1	116.0840	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	118.3194	0.662	5	118.1483	0.312	11	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	117.7777	0.362	4	118.1483	0.312	11	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|N<3>,3|H<1>}	C(OC[5])(CH3)(O)	118.4615	0.282	2	118.1483	0.312	11	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<2>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	115.8740	0.000	1	116.3855	0.255	4	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<3>,3|H<1>}	C(OC[5])(CH3)(O)	116.9320	0.000	1	116.3855	0.255	4	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){1|N<4>,3|H<1>}	C(OC[5])(CH3)(O)	116.0490	0.000	1	116.3855	0.255	4	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|H<1>,2|O<2>}	C(OC[5])(CH3)(O)	116.6870	0.000	1	116.3855	0.255	4	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C(OC[5])(CCHH)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,1|O<1>}	C(OC[5])(CCHH)(O)	117.6690	0.000	1	117.6690	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<4>,1|O<1>}	C(OC[5])(CH3)(O)	115.7390	0.000	1	115.2563	0.285	3	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C(OC[5])(CH3)(O)	115.0150	0.470	2	115.2563	0.285	3	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]HO)(OC)(H){1|C<4>,1|O<1>}	C(OC[5])(CH3)(O)	115.5740	0.000	1	115.5740	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|C<4>,1|H<1>}	C(OC[5])(CH3)(O)	116.1360	0.000	1	116.1360	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CCHH)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C(OC[5])(CCHH)(O)	117.0693	0.203	3	117.0693	0.041	3	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C(OC[5])(CH3)(O)	115.9959	1.193	9	115.9959	1.424	9	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)2(OC)(H)	C(OC[5])(CCHN)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HH)2(OC)(H){4|H<1>}	C(OC[5])(CCHN)(O)	117.4660	1.341	2	117.4660	1.797	2	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HI)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C(OC[5])(CH3)(O)	117.9800	0.000	1	117.9800	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OC)(H){1|O<2>,3|H<1>}	C(OC[5])(CH3)(O)	118.2070	0.000	1	118.2070	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,1|O<1>}	C(OC[5])(CH3)(O)	118.3370	0.000	1	117.4108	0.870	4	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|C<3>,2|H<1>}	C(OC[5])(CH3)(O)	116.1820	0.000	1	117.4108	0.870	4	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OC)(H){1|H<1>,2|C<4>}	C(OC[5])(CH3)(O)	117.5620	0.443	2	117.4108	0.870	4	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OC)(H){1|H<1>,2|C<3>}	C(OC[5])(CH3)(O)	117.7650	0.583	2	117.7650	0.339	2	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CCHH)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C(OC[5])(CCHH)(O)	116.2112	0.952	5	116.2112	0.906	5	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<3>,1|H<1>}	C(OC[5])(CH3)(O)	116.9860	0.000	1	116.5525	0.468	14	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C(OC[5])(CH3)(O)	117.5530	0.000	1	116.5525	0.468	14	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C(OC[5])(CH3)(O)	116.4008	0.836	4	116.5525	0.468	14	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C(OC[5])(CH3)(O)	116.4998	0.709	5	116.5525	0.468	14	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C(OC[5])(CH3)(O)	116.3647	0.537	3	116.5525	0.468	14	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OC)(H){1|C<4>,1|H<1>}	C(OC[5])(CH3)(O)	116.3833	0.711	4	116.3833	0.505	4	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OC)(H){1|C<4>,1|H<1>}	C(OC[5])(CH3)(O)	116.8087	0.502	3	116.8087	0.252	3	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)2(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]HO)2(OC)(H){1|N<2>,3|H<1>}	C(OC[5])(CH3)(O)	117.9070	0.000	1	117.9070	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[5])(CH3)(O)	117.6540	0.000	1	117.6540	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OC)(H){2|H<1>,3|C<3>}	C(OC[5])(CH3)(O)	116.0690	0.000	1	116.0690	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[5])(CH3)(O)	116.2290	0.000	1	116.2290	0.000	1	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(OC[5])(CH3)(O)	116.9230	0.000	1	116.8146	1.093	5	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CH3)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[5])(CH3)(O)	116.7875	1.205	4	116.8146	1.093	5	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	O-2:C-4:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C(OC[5])(CCHH)(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[5])(CCHH)(O)	116.4184	1.498	5	116.4184	2.243	5	116.9780	1.359	112	117.1108	1.657	189	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[3,5]C[5]H)(CC[6a]O)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[3,5]C[5]H)(CC[6a]O)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(OC)(H){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.0820	0.000	1	116.0820	0.000	1	116.0820	0.000	1	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[4,5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5,5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5,5]HH)(OC)(H){1|O<1>,3|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	116.3083	0.613	4	116.3083	0.376	4	116.9156	2.126	5	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[4,5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(OC)(H){1|O<1>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	119.3450	0.000	1	119.3450	0.000	1	116.9156	2.126	5	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[4,5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.3160	0.000	1	116.9195	0.314	2	116.9195	0.314	2	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[4,5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<1>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.5230	0.000	1	116.9195	0.314	2	116.9195	0.314	2	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[4,5]-4:C[5]-4:O-2:H-1:	N-3:O-2:O-1:	O(C[5]C[4,5]C[5]H)(CNO)	C[5](C[4,5]C[4,5]C[4]Si)(C[5]C[5]HH)(OC)(H)	C(NC[6a]H)(OC[5])(O)	O(C[5]C[4,5]C[5]H)(CNO)	C[5](C[4,5]C[4,5]C[4]Si)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C(NC[6a]H)(OC[5])(O)	118.2090	0.000	1	118.2090	0.000	1	118.2090	0.000	1	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[5]C[5,5,6]C[5]H)(CC[5a]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H)	C(C[5a]C[5a]N[5a])(OC[5])(O)	O(C[5]C[5,5,6]C[5]H)(CC[5a]O)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OC)(H){1|O<2>,6|C<4>}	C(C[5a]C[5a]N[5a])(OC[5])(O)	118.3240	0.000	1	118.3240	0.000	1	118.3240	0.000	1	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5,6]C[5]H)(CC[6a]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OC)(H){4|C<4>,6|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	115.0895	0.216	2	115.0895	0.047	2	115.0895	0.047	2	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.2840	0.000	1	116.2840	0.000	1	116.5294	1.532	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[5])(O)	117.4500	0.000	1	117.4500	0.000	1	116.5294	1.532	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[5])(O)	114.5480	0.000	2	114.5480	0.000	2	116.5294	1.532	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	117.6820	0.000	1	117.6820	0.000	1	116.5294	1.532	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	115.3480	0.000	1	116.6437	1.544	4	116.5294	1.532	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	117.3560	1.386	2	116.6437	1.544	4	116.5294	1.532	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OC)(H){1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	116.5150	0.000	1	116.6437	1.544	4	116.5294	1.532	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	118.9130	0.000	1	118.9130	0.000	1	116.5294	1.532	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,6,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5,6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	116.1883	0.391	3	116.1883	0.153	3	116.5294	1.532	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(OC)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.0660	0.000	1	117.0660	0.000	1	116.5294	1.532	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(OC)(H){1|H<1>,5|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	116.3100	0.000	1	116.3100	0.000	1	116.5294	1.532	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	N-3:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CNO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(OC)(H)	C(NC[6a]H)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CNO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(OC)(H){2|C<4>,5|H<1>}	C(NC[6a]H)(OC[5])(O)	119.0510	0.000	1	119.0510	0.000	1	119.0510	0.000	1	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6,6]C[5,6]H)(CC[6a]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|H<1>,1|N<3>,1|O<2>,7|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	117.0630	0.000	1	117.0630	0.000	1	117.0630	0.000	1	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6,6]C[5]H)(CC[6a]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6,6]C[5]H)(CC[6a]O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	117.2250	0.000	1	117.2250	0.000	1	117.2250	0.000	1	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OC)(H){1|H<1>,2|O<2>,4|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	116.3140	0.000	1	116.3140	0.000	1	117.1177	1.120	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.4260	0.000	1	116.4260	0.000	1	117.1177	1.120	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.5610	0.000	2	117.1023	0.874	9	117.1177	1.120	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	118.2110	0.000	1	117.1023	0.874	9	117.1177	1.120	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.7647	0.965	6	117.1023	0.874	9	117.1177	1.120	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	115.8100	0.000	1	115.8100	0.000	1	117.1177	1.120	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	118.4860	0.000	1	118.4860	0.000	1	117.1177	1.120	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	116.7340	0.000	1	116.7340	0.000	1	117.1177	1.120	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CC[6a]O)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	119.0750	0.000	1	119.0750	0.000	1	117.1177	1.120	15	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	N-3:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CNO)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H)	C(NC[6a]H)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CNO)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C(NC[6a]H)(OC[5])(O)	115.4160	0.648	2	115.4160	0.420	2	115.4160	0.420	2	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5]-3:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CN[5]O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H)	C(N[5]C[5]2)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CN[5]O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H){1|S<4>,2|C<4>,3|H<1>}	C(N[5]C[5]2)(OC[5])(O)	117.6330	0.000	1	117.6330	0.000	1	117.6330	0.000	1	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	N[5a]-3:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CN[5a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(N[5a]C[5a]2)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CN[5a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C(N[5a]C[5a]2)(OC[5])(O)	115.9514	0.995	5	115.9514	0.990	5	115.9514	0.990	5	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[5a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[5a]O)	C[5](C[5]C[5]HH)2(OC)(H)	C(C[5a]C[5a]N[5a])(OC[5])(O)	O(C[5]C[5]2H)(CC[5a]O)	C[5](C[5]C[5]HH)2(OC)(H){2|H<1>}	C(C[5a]C[5a]N[5a])(OC[5])(O)	117.7140	0.000	1	117.7140	0.000	1	117.7140	0.000	1	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:H-1:	O(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(H)	O(C[5]C[5]2H)(CC[6a]H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[5])(H)	114.2430	0.000	1	114.2430	0.000	1	114.2430	0.000	1	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,5,6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,5,6]HH)2(OC)(H){4|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	115.9855	0.100	2	115.9855	0.010	2	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(OC[5])(O)	116.2120	0.000	1	116.2120	0.000	1	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,5]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,5]HO)2(OC)(H){2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[5])(O)	118.0380	0.000	2	118.0380	0.000	2	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.9930	0.000	1	117.1390	1.459	2	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OC)(H){4|C<4>}	C(C[6a]C[6a]2)(OC[5])(O)	116.2850	0.000	1	117.1390	1.459	2	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5,6]HH)(C[5]O[5]CC)(OC)(H){2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	115.1240	0.000	1	115.1240	0.000	1	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC)(H){4|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.6700	0.000	1	117.6700	0.000	1	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OC)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.2270	0.000	1	116.2270	0.000	1	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	118.0990	0.000	1	117.6974	2.372	5	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	119.1970	0.000	1	117.6974	2.372	5	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.9150	1.235	2	117.6974	2.372	5	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OC)(H){4|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	115.3610	0.000	1	117.6974	2.372	5	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OC)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.7905	0.039	2	117.7905	0.002	2	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.2430	1.047	2	117.2430	1.095	2	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)2(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.6404	1.327	7	117.5639	2.814	16	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)2(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]CH)2(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.5043	1.986	9	117.5639	2.814	16	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.4030	0.000	1	117.4030	0.000	1	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.2110	0.031	2	117.2110	0.001	2	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OC)(H){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.8930	0.529	4	116.8930	0.279	4	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(OC[5])(O)	115.7142	1.663	6	115.6799	2.314	7	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OC)(H){1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[5])(O)	115.4740	0.000	1	115.6799	2.314	7	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)2(OC)(H){1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	117.7860	0.000	1	117.4480	0.228	2	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HH)2(OC)(H){1|S<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.1100	0.000	1	117.4480	0.228	2	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OC)(H){1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(OC[5])(O)	117.3976	1.414	7	117.3976	2.000	7	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OC)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.4560	0.000	1	117.4560	0.000	1	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(OC)(H){1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[5])(O)	118.4630	0.000	1	118.4630	0.000	1	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5]HO)(C[5]S[5]HO)(OC)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	116.2620	0.000	1	116.2620	0.000	1	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	117.8380	0.332	2	117.8380	0.110	2	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	117.0110	0.000	1	116.2125	1.275	2	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OC)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	115.4140	0.000	1	116.2125	1.275	2	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	115.6520	0.000	1	115.6520	0.000	1	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(OC[5])(O)	115.7010	0.000	1	116.4570	1.182	3	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	116.8350	1.228	2	116.4570	1.182	3	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2H)(CC[6a]O)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[5])(O)	116.2398	1.689	4	116.2398	2.851	4	117.0306	1.893	73	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	N-3:O-2:O-1:	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]HH)2(OC)(H)	C(NC[6a]H)(OC[5])(O)	O(C[5]C[5]2H)(CNO)	C[5](C[5]C[5]HH)2(OC)(H){4|H<1>}	C(NC[6a]H)(OC[5])(O)	117.4582	0.338	4	117.4582	0.114	4	117.4582	0.114	4	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	N[6]-3:O-2:O-1:	O(C[5]C[5]2H)(CN[6]O)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H)	C(N[6]C[6]2)(OC[5])(O)	O(C[5]C[5]2H)(CN[6]O)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OC)(H){2|H<1>}	C(N[6]C[6]2)(OC[5])(O)	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	116.9105	1.707	133	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	3:2:3:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:O-2:C-3:	O(C[5]C[5]2H)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[5])(CCH)	O(C[5]C[5]2H)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OC)(H){4|H<1>}	C(C[6a]C[6a]2)(OC[5])(CCH)	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[3,5]-4:C[5]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H)	C(CC[6a]HO)(OC[5])(O)	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H){1|N<2>,4|H<1>}	C(CC[6a]HO)(OC[5])(O)	117.6270	0.000	1	117.6270	0.000	1	117.6270	0.000	1	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	118.0060	1.510	4	118.2942	2.237	6	118.2942	2.237	6	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	120.1640	0.000	1	118.2942	2.237	6	118.2942	2.237	6	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,4|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	117.5770	0.000	1	118.2942	2.237	6	118.2942	2.237	6	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C(CBrHH)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(CBrHH)(OC[5])(O)	116.1425	0.087	2	116.1425	0.008	2	116.1425	0.008	2	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[5,5,6]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[5,5,6]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	115.5385	0.180	2	115.5385	0.033	2	115.5385	0.033	2	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[5,6]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[5,6]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H){1|N<3>,2|C<4>,7|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(OC[5])(O)	116.3245	1.207	2	116.3245	1.457	2	116.3245	1.457	2	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H)	C(C[5]C[5]2Fe)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5]2Fe)(OC[5])(O)	116.1315	0.880	4	116.1315	0.774	4	116.1315	0.774	4	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:O-2:H-1:	C[6,6]-4:O-2:O-1:	O(C[5]C[5,5]C[5]H)(CC[6,6]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H)	C(C[6,6]C[3x6]C[6,6]H)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CC[6,6]O)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(OC)(H){1|N<3>,2|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OC[5])(O)	115.9080	0.433	2	115.9080	0.187	2	115.9080	0.187	2	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(CClHH)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C(CClHH)(OC[5])(O)	118.7920	0.000	1	118.7920	0.000	1	118.7920	0.000	1	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CC[5,5,6]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CC[5,5,6]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	116.7350	0.590	2	116.7350	0.348	2	116.7350	0.348	2	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CC[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H)	C(C[5]C[5]2H)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CC[5]O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5]2H)(OC[5])(O)	116.9380	0.000	1	116.9380	0.000	1	116.9380	0.000	1	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:O-2:H-1:	C[6]-4:O-2:O-1:	O(C[5]C[5,6]C[5]H)(CC[6]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H)	C(C[6]C[6]2H)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CC[6]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OC)(H){2|C<4>,5|H<1>}	C(C[6]C[6]2H)(OC[5])(O)	119.0550	0.000	1	119.0550	0.000	1	119.0550	0.000	1	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H)	C(CC[6a]HO)(OC[5])(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[3,5]HN)(C[5]C[3,5]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]HO)(OC[5])(O)	118.0320	0.000	1	118.0320	0.000	1	116.4576	1.327	7	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H)	C(CC[6]HH)(OC[5])(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OC)(H){1|C<4>,1|O<2>}	C(CC[6]HH)(OC[5])(O)	116.4190	0.000	1	116.4190	0.000	1	116.4576	1.327	7	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H)	C(CClHH)(OC[5])(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OC)(H){2|C<3>}	C(CClHH)(OC[5])(O)	116.8575	0.957	2	116.8575	0.915	2	116.4576	1.327	7	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H)	C(CC[6a]HH)(OC[5])(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]CH)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(CC[6a]HH)(OC[5])(O)	116.9510	0.000	1	116.9510	0.000	1	116.4576	1.327	7	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C-4:O-2:O-1:	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H)	C(CC[6a]HO)(OC[5])(O)	O(C[5]C[5]2H)(CCO)	C[5](C[5]C[5]ClH)(C[5]S[5]HH)(OC)(H){2|H<1>,2|O<1>}	C(CC[6a]HO)(OC[5])(O)	115.0430	0.000	2	115.0430	0.000	2	116.4576	1.327	7	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[3]-4:O-2:O-1:	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H)	C(C[3]C[3]2C)(OC[5])(O)	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OC)(H){1|S<4>,2|C<3>,2|H<1>}	C(C[3]C[3]2C)(OC[5])(O)	116.3600	0.000	1	116.3600	0.000	1	115.7772	0.258	4	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[3]-4:O-2:O-1:	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H)	C(C[3]C[3]2C)(OC[5])(O)	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(OC)(H){1|S<4>,2|C<3>}	C(C[3]C[3]2C)(OC[5])(O)	115.5320	0.000	1	115.5320	0.000	1	115.7772	0.258	4	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[3]-4:O-2:O-1:	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C(C[3]C[3]2C)(OC[5])(O)	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){1|O<1>,2|C<3>}	C(C[3]C[3]2C)(OC[5])(O)	115.2110	0.000	1	115.6085	0.316	2	115.7772	0.258	4	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[3]-4:O-2:O-1:	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H)	C(C[3]C[3]2C)(OC[5])(O)	O(C[5]C[5]2H)(CC[3]O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OC)(H){2|C<3>,2|C<4>}	C(C[3]C[3]2C)(OC[5])(O)	116.0060	0.000	1	115.6085	0.316	2	115.7772	0.258	4	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:1:	4:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5,6]-4:O-2:O-1:	O(C[5]C[5]2H)(CC[5,5,6]O)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	O(C[5]C[5]2H)(CC[5,5,6]O)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(OC)(H){1|O<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[5])(O)	117.4770	0.000	1	117.4770	0.000	1	117.4770	0.000	1	116.7719	1.736	36	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:2:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-2:O-2:	O-2:O-2:O-1:	O(C[5]C[5]2C)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CN)(OC)	C(OC[5])(OC)(O)	O(C[5]C[5]2C)(COO)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CN)(OC){2|H<1>}	C(OC[5])(OC)(O)	116.1770	0.000	1	116.1770	0.000	1	116.1770	0.000	1	116.1770	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:2:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:C-2:O-2:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	C(OC[5])(CCHH)(O)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	C(OC[5])(CCHH)(O)	117.9310	0.000	1	117.9310	0.000	1	119.0035	2.301	2	119.0035	2.301	2	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:2:2:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:C-2:O-2:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OC){2|C<4>,5|H<1>}	C(OC[5])(CH3)(O)	120.0760	0.000	1	120.0760	0.000	1	119.0035	2.301	2	119.0035	2.301	2	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:3:2:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C(OC[5])(CCHH)(O)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){1|C<3>,1|C<4>,5|H<1>}	C(OC[5])(CCHH)(O)	117.0890	0.000	1	118.0676	2.219	8	118.0353	1.445	12	117.4183	3.545	29	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:3:2:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C(OC[5])(CCHH)(O)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	C(OC[5])(CCHH)(O)	118.2074	1.551	7	118.0676	2.219	8	118.0353	1.445	12	117.4183	3.545	29	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:3:2:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	C(OC[5])(CH3)(O)	117.6340	0.000	1	117.6340	0.000	1	118.0353	1.445	12	117.4183	3.545	29	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:3:2:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OC){2|C<4>,5|H<1>}	C(OC[5])(CH3)(O)	118.0827	0.303	3	118.0827	0.092	3	118.0353	1.445	12	117.4183	3.545	29	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:3:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:O-2:	O-2:C-4:O-1:	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|H<1>,2|O<2>}	C(OC[5])(CH3)(O)	115.2297	1.022	3	116.7925	4.824	15	116.9828	4.723	17	117.4183	3.545	29	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:3:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:O-2:	O-2:C-4:O-1:	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OC){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	117.1833	2.262	12	116.7925	4.824	15	116.9828	4.723	17	117.4183	3.545	29	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:3:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:O-2:	O-2:C-4:O-1:	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(OC){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	117.1040	0.000	1	117.1040	0.000	1	116.9828	4.723	17	117.4183	3.545	29	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:3:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-3:O-2:	O-2:C-4:O-1:	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCO)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CCO)(OC){2|C<4>,2|H<1>,3|O<2>}	C(OC[5])(CH3)(O)	119.7160	0.000	1	119.7160	0.000	1	116.9828	4.723	17	117.4183	3.545	29	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:3:2:	3:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:C-3:O-2:	C[5a]-3:O-2:O-1:	O(C[5]C[5,6]C[5]C)(CC[5a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC)	C(C[5a]C[5a]O[5a])(OC[5])(O)	O(C[5]C[5,6]C[5]C)(CC[5a]O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OC){2|C<4>,5|H<1>}	C(C[5a]C[5a]O[5a])(OC[5])(O)	120.3280	0.000	1	120.3280	0.000	1	120.3280	0.000	1	120.3280	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	2:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	O-2:O-2:O-1:	O(C[5]C[5]2C)(COO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	C(OC[5])(OC)(O)	O(C[5]C[5]2C)(COO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<3>,2|H<1>}	C(OC[5])(OC)(O)	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	2:3:1:	C[5]-4:C-3:	C[5,6]-4:C[3]-4:C[5]-4:O-2:	O-2:N-3:O-1:	O(C[5]C[5,6]C[3]C[5])(CNO)	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]S[3]H)(C[5]C[5]HH)(OC)	C(OC[5])(NCC)(O)	O(C[5]C[5,6]C[3]C[5])(CNO)	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]S[3]H)(C[5]C[5]HH)(OC){2|C<4>,7|H<1>}	C(OC[5])(NCC)(O)	120.5190	0.000	1	120.5190	0.000	1	120.5190	0.000	1	128.3244	19.145	5	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	2:3:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	O-2:C-3:O-1:	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(OC)	C(OC[5])(CCC)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCO)(OC){1|C<4>,3|H<1>}	C(OC[5])(CCC)(O)	130.2758	0.376	4	130.2758	0.141	4	130.2758	0.141	4	128.3244	19.145	5	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	2:4:1:	C[5]-4:C-3:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[5]C[5,5]C[5]C)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CH3)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5,5]C[5]C)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CH3)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	119.2460	0.000	1	119.2460	0.000	1	119.2460	0.000	1	121.7357	4.192	21	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	2:4:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5,6]C[5]C)(CCO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC){1|O<2>,3|C<4>,3|H<1>}	C(OC[5])(CH3)(O)	121.2070	0.765	4	121.2070	0.585	4	121.2070	0.585	4	121.7357	4.192	21	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	122.1780	0.919	7	122.1780	0.844	7	122.0235	4.897	16	121.7357	4.192	21	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|H<1>,2|O<2>}	C(OC[5])(CH3)(O)	119.5570	0.000	1	123.9218	9.814	4	122.0235	4.897	16	121.7357	4.192	21	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|O<2>,2|H<1>}	C(OC[5])(CH3)(O)	125.3767	1.421	3	123.9218	9.814	4	122.0235	4.897	16	121.7357	4.192	21	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	C(OC[5])(CCCH)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|H<1>,1|O<2>,2|C<4>}	C(OC[5])(CCCH)(O)	120.8510	0.000	1	120.8510	0.000	1	122.0235	4.897	16	121.7357	4.192	21	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(OC[5])(CH3)(O)	121.6055	0.159	2	121.6055	0.025	2	122.0235	4.897	16	121.7357	4.192	21	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	2:4:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	O-2:C-4:O-1:	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(OC)	C(OC[5])(CH3)(O)	O(C[5]C[5]2C)(CCO)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(OC){1|C<4>,1|H<1>}	C(OC[5])(CH3)(O)	118.6905	0.631	2	118.6905	0.399	2	122.0235	4.897	16	121.7357	4.192	21	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2C)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2C)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	122.1710	0.000	1	122.3495	0.064	2	122.3495	0.064	2	122.0687	0.268	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:C-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2C)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2C)(CC[6a]O)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	122.5280	0.000	1	122.3495	0.064	2	122.3495	0.064	2	122.0687	0.268	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	3:2:1:	C[5]-4:C-3:	C[5]-4:C[5]-4:Si-4:O-2:	C[6a]-3:O-2:O-1:	O(C[5]C[5]2Si)(CC[6a]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC)	C(C[6a]C[6a]2)(OC[5])(O)	O(C[5]C[5]2Si)(CC[6a]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC){2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(OC[5])(O)	121.5070	0.000	1	121.5070	0.000	1	121.5070	0.000	1	122.0687	0.268	3	117.3048	4.490	628	117.3651	4.461	757
893	474	930	0:SP2_SP2_SP3	O	C[5]	C	4:3:	4:4:4:2:	4:2:1:	C[5]-4:C-3:	C[5,6]-4:C[5]-4:C-4:O-2:	C[3]-4:O-2:O-1:	O(C[5]C[5,6]C[5]C)(CC[3]O)	C[5](C[5,6]C[5,5,6]O[5,6]O)(C[5]C[5,6]CH)(CCHH)(OC)	C(C[3]C[3]2H)(OC[5])(O)	O(C[5]C[5,6]C[5]C)(CC[3]O)	C[5](C[5,6]C[5,5,6]O[5,6]O)(C[5]C[5,6]CH)(CCHH)(OC){1|H<1>,1|O<2>,3|C<4>}	C(C[3]C[3]2H)(OC[5])(O)	130.1895	0.173	2	130.1895	0.030	2	130.1895	0.030	2	130.1895	0.030	2	117.3048	4.490	628	117.3651	4.461	757