466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:3:3:4:	4:1:1:1:	3:3:4:	N[5,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C(C[6]N[5,6]C[6a]N[6])(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<3>,6|C<3>}	C(C[6]N[5,6]C[6a]N[6])(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C){1|N<2>,3|H<1>,5|C<3>}	111.5380	0.000	1	111.5380	0.000	1	111.5380	0.000	1	111.5380	0.000	1	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:3:4:1:	4:1:1:1:	3:3:4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H)	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H){1|O<1>,4|C<3>}	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	111.7010	0.000	1	111.7010	0.000	1	111.7010	0.000	1	111.7010	0.000	1	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:3:4:1:	4:2:1:1:	3:3:4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H)	C(C[6]C[6,6a]N[5,6]H)(CN)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C(C[6]C[6,6a]N[5,6]H)(CN)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	110.8625	0.764	2	110.8625	0.584	2	110.8625	0.584	2	110.8625	0.584	2	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H)	C(C[6]C[6,6a]N[5,6]H)(COO)(H)2	N[5,6](C[5,6]N[6]S[5])(C[6]C[6,6a]CH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[5,6]H)(COO)(H)2	N[5,6](C[5,6]N[6]S[5])(C[6]C[6,6a]CH)(C[5]C[5]HH){3|C<3>}	110.5920	0.000	1	110.5920	0.000	1	110.5920	0.000	1	110.5920	0.000	1	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:3:4:1:	4:3:1:1:	4:3:4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H)	C(C[6]N[5,6]C[6]H)(CHN)(H)2	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H){1|C<4>,1|H<1>,6|C<3>}	C(C[6]N[5,6]C[6]H)(CHN)(H)2	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|O<1>,3|H<1>,6|C<3>}	112.3205	0.383	2	112.3205	0.146	2	112.3205	0.146	2	112.3205	0.146	2	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H){1|O<1>,2|O<2>,3|C<4>}	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|N<3>}	114.0385	1.133	2	114.0385	1.285	2	114.0385	1.285	2	114.0385	1.285	2	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:3:4:1:	4:4:1:1:	3:4:4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6,6a]-3:Si[5]-4:C[6]-4:	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H)	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH){1|H<1>,3|C<3>}	112.0720	0.000	1	112.0720	0.000	1	112.0720	0.000	1	112.0720	0.000	1	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:3:4:1:	4:4:4:1:	3:3:4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:3:4:1:	4:4:4:1:	4:3:4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:3:4:4:	4:1:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)2{1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<4>}	109.3580	0.074	2	109.3580	0.005	2	109.3580	0.005	2	109.3580	0.005	2	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:1:1:1:	3:4:3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:2:1:1:	3:4:4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H)	C(C[6]N[5,6]C[6]H)(CN)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]N[5,6]C[6]H)(CN)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH){3|H<1>,6|C<3>}	109.9840	0.000	1	109.9840	0.000	1	109.9840	0.000	1	110.8965	1.665	2	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:2:1:1:	3:4:4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|N<2>,2|C<4>,4|H<1>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	110.8965	1.665	2	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:2:1:1:	4:4:3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,5,6]C[5a,6]C[5,5]C[5])(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,5,6]C[5a,6]C[5,5]C[5])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	114.5390	0.000	1	114.5390	0.000	1	114.5390	0.000	1	113.3427	5.471	8	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:2:1:1:	4:4:3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	110.4925	0.486	2	110.4925	0.236	2	113.1719	6.110	7	113.3427	5.471	8	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:2:1:1:	4:4:3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	115.3413	0.299	3	115.3413	0.090	3	113.1719	6.110	7	113.3427	5.471	8	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:2:1:1:	4:4:3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	110.7120	0.000	1	110.7120	0.000	1	113.1719	6.110	7	113.3427	5.471	8	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:2:1:1:	4:4:3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	114.4820	0.000	1	114.4820	0.000	1	113.1719	6.110	7	113.3427	5.471	8	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,8|H<1>}	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:3:3:2:	3:4:3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]CH)(C[5]N[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]CH)(C[5]N[5]H){2|H<1>,3|C<3>}	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:4:4:1:	3:3:4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H){1|Cl<1>,1|N<3>,3|C<3>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	110.9615	0.125	2	110.9615	0.016	2	110.9615	0.016	2	110.9615	0.016	2	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:4:4:1:	3:4:4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:2:	4:1:1:1:	3:4:4:	N[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C(C[6]N[5,6]C[6]O)(H)3	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	C(C[6]N[5,6]C[6]O)(H)3	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5]-3:C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,5]O)(C[6]C[6]CC)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|O<1>}	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,5]O)(C[6]C[6]CC){2|C<4>,2|H<1>,3|C<3>}	109.5435	1.737	2	109.5435	3.018	2	109.5435	3.018	2	109.5435	3.018	2	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CH3)2{6|C<3>}	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC){1|O<1>,3|H<1>,6|C<3>}	110.9125	0.612	2	110.9125	0.374	2	110.9125	0.374	2	109.8505	1.327	6	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]CC)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	109.3195	0.979	4	109.3195	0.959	4	109.3195	0.959	4	109.8505	1.327	6	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:4:	4:1:1:1:	5:4:2:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	Si[5,5,6]-5:C[6]-4:N[5]-2:	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	110.3240	0.320	2	110.7192	0.176	6	110.7192	0.176	6	110.7192	0.176	6	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:4:	4:1:1:1:	5:4:2:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	Si[5,5,6]-5:C[6]-4:N[5]-2:	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|N<2>,2|H<1>,3|C<3>}	110.9168	0.322	4	110.7192	0.176	6	110.7192	0.176	6	110.7192	0.176	6	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	3:4:4:4:	4:4:1:1:	5:4:2:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	Si[5,5,6]-5:C[6]-4:N[5]-2:	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	109.4215	1.394	2	109.4215	1.942	2	109.4215	1.942	2	109.4215	1.942	2	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	4:3:4:4:	4:1:1:1:	3:4:2:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	C(C[6]C[5,6]N[5,6]C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{2|C<4>,5|C<3>}	C(C[6]C[5,6]N[5,6]C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	105.6010	1.414	2	106.0112	1.212	4	106.0112	1.212	4	106.0112	1.212	4	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP2_SP3	C[6]	C	N[5,6]	4:3:4:4:	4:1:1:1:	3:4:2:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	C(C[6]C[5,6]N[5,6]C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{3|C<4>,4|C<3>}	C(C[6]C[5,6]N[5,6]C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	106.4215	0.981	2	106.0112	1.212	4	106.0112	1.212	4	106.0112	1.212	4	110.8080	5.159	51	110.8080	5.159	51
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6,6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5,6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H)	C(C[6]N[5,6,6]C[6]H)(H)3	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6]N[5,6,6]C[6]H)(H)3	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH){1|C<3>,5|C<4>,7|H<1>}	115.6560	0.113	3	115.6560	0.013	3	115.6560	0.013	3	115.6560	0.013	3	115.6560	0.013	3	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H)	C(C[6]C[6,6a]N[5,6]H)(CCO)(H)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H){1|H<1>,3|C<4>,4|C<3>}	C(C[6]C[6,6a]N[5,6]H)(CCO)(H)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:3:4:1:	4:3:1:1:	4:4:4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH){1|N<3>,2|O<1>,3|C<4>,6|H<1>}	110.3240	0.000	1	110.3240	0.000	1	110.3240	0.000	1	110.3240	0.000	1	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:3:4:4:	4:1:1:1:	3:4:2:	N[5,6]-3:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2	C(C[6]C[5,6]N[5,6]C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[5,6]N[5,6]C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	107.1255	0.268	2	107.1255	0.072	2	107.1255	0.072	2	107.1255	0.072	2	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:3:4:4:	4:1:1:1:	4:4:3:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]N[5,6]C[6a]C[6])(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[6]N[5,6]C[6a]C[6])(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	114.7430	0.000	1	114.7430	0.000	1	111.5380	20.544	2	111.5380	20.544	2	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:3:4:4:	4:1:1:1:	4:4:3:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]N[5,6]C[6a]C[6])(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]H)	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C(C[6]N[5,6]C[6a]C[6])(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	108.3330	0.000	1	108.3330	0.000	1	111.5380	20.544	2	111.5380	20.544	2	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:1:1:1:	4:4:2:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,3|H<1>}	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5,5]){1|C<3>,2|C<4>,6|H<1>}	108.5880	0.000	1	108.5880	0.000	1	109.5083	1.146	3	109.5083	1.146	3	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:1:1:1:	4:4:2:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(O[5]C[5])	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){1|C<3>,3|C<4>}	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,1|S<4>,5|H<1>}	109.2540	0.000	1	109.2540	0.000	1	109.5083	1.146	3	109.5083	1.146	3	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:1:1:1:	4:4:2:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){4|C<3>}	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	110.6830	0.000	1	110.6830	0.000	1	109.5083	1.146	3	109.5083	1.146	3	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|O<1>,6|H<1>}	113.1245	0.326	4	113.1245	0.106	4	113.1245	0.106	4	113.1245	0.106	4	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:2:1:1:	4:4:2:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H)	C(C[6]N[5,6]C[6]H)(CN)(H)2	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	C(C[6]N[5,6]C[6]H)(CN)(H)2	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|C<2>,3|C<4>,8|H<1>}	108.5138	0.289	4	108.5138	0.084	4	108.5138	0.084	4	108.4811	0.265	9	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:2:1:1:	4:4:2:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H)	C(C[6]N[5,6]C[6]H)(CN)(H)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	C(C[6]N[5,6]C[6]H)(CN)(H)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<2>,3|C<4>,8|H<1>}	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	108.4811	0.265	9	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:2:1:1:	4:4:2:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	C(C[6]N[5,6]C[6]H)(OC)(H)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	C(C[6]N[5,6]C[6]H)(OC)(H)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<2>,3|C<4>,8|H<1>}	108.0620	0.000	1	108.0620	0.000	1	108.5772	0.521	4	108.4811	0.265	9	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:2:1:1:	4:4:2:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<2>,3|C<4>,8|H<1>}	109.1925	0.168	2	108.7490	0.604	3	108.5772	0.521	4	108.4811	0.265	9	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:2:1:1:	4:4:2:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<3>,3|C<4>,8|H<1>}	107.8620	0.000	1	108.7490	0.604	3	108.5772	0.521	4	108.4811	0.265	9	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:3:1:1:	4:4:4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5,6]-4:S[5]-4:C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]N[5,6]C[6]H)(CC[6a]O)(H)2	N[5,6](C[5,6]C[5,6a]C[6,6]O)(S[5]C[5,6a]OO)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C(C[6]N[5,6]C[6]H)(CC[6a]O)(H)2	N[5,6](C[5,6]C[5,6a]C[6,6]O)(S[5]C[5,6a]OO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O){3|C<4>,9|H<1>}	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:4:4:1:	3:4:4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:1:	4:4:4:1:	4:3:4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	113.4820	0.000	1	113.4820	0.000	1	113.4820	0.000	1	113.4820	0.000	1	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	3:4:4:2:	4:1:1:1:	3:4:4:	N[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C(C[6]N[5,6]C[6]O)(H)3	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	C(C[6]N[5,6]C[6]O)(H)3	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	109.7034	7.683	29	110.2615	10.048	32
466	490	542	0:SP3_SP3_SP3	C[6]	C	N[5,6]	4:3:4:4:	4:1:1:1:	3:4:2:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	C(C[6]C[5,6]N[5,6]C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{2|C<4>,5|C<3>}	C(C[6]C[5,6]N[5,6]C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	104.5200	0.733	2	104.5200	0.537	2	104.5200	0.537	2	104.5200	0.537	2	109.7034	7.683	29	110.2615	10.048	32
466	490	618	0:SP3_SP2_SP3	C[6]	C	B[6]	3:3:4:1:	4:3:1:1:	3:4:2:	N[6]-3:B[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-4:O-2:	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(OB)	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(OB){1|C<4>,2|H<1>,3|C<3>}	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	110.5380	0.223	2	111.0675	0.495	4	111.0675	0.495	4
466	490	618	0:SP3_SP2_SP3	C[6]	C	B[6]	3:3:4:1:	4:3:1:1:	3:4:2:	N[6]-3:B[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-4:S-2:	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(SB)	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(SB){1|C<4>,2|H<1>,3|C<3>}	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.5380	0.223	2	111.0675	0.495	4	111.0675	0.495	4
466	490	618	0:SP3_SP2_SP3	C[6]	C	B[6]	3:3:4:1:	4:3:1:1:	3:4:3:	N[6]-3:B[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-4:N-3:	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN)	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN){1|C<4>,2|H<1>,3|C<3>}	111.3320	0.000	1	111.3320	0.000	1	111.5970	0.140	2	111.5970	0.140	2	111.0675	0.495	4	111.0675	0.495	4
466	490	618	0:SP3_SP2_SP3	C[6]	C	B[6]	3:3:4:1:	4:3:1:1:	3:4:3:	N[6]-3:B[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	N[6]-3:C[6]-4:N-3:	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B)	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B){1|C<4>,2|H<1>,3|C<3>}	111.8620	0.000	1	111.8620	0.000	1	111.5970	0.140	2	111.5970	0.140	2	111.0675	0.495	4	111.0675	0.495	4
466	490	622	0:SP3_SP2_SP3	C[3x6]	C	O[6,6]	3:4:2:4:	4:1:1:1:	4:3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]C){1|C<4>,2|C<3>,3|H<1>}	105.8350	0.000	1	105.8350	0.000	1	105.8350	0.000	1	105.8350	0.000	1	104.8857	0.485	9	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[3x6]	C	O[6,6]	4:3:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.4827	0.302	3	104.4958	0.213	6	104.6321	0.308	7	104.6321	0.308	7	104.8857	0.485	9	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[3x6]	C	O[6,6]	4:3:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.5090	0.664	3	104.4958	0.213	6	104.6321	0.308	7	104.6321	0.308	7	104.8857	0.485	9	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[3x6]	C	O[6,6]	4:3:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C){1|C<3>,2|C<4>,3|H<1>}	105.4500	0.000	1	105.4500	0.000	1	104.6321	0.308	7	104.6321	0.308	7	104.8857	0.485	9	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3){1|O<1>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O){2|H<1>,2|O<2>,3|C<4>}	105.7110	0.000	1	105.7110	0.000	1	105.7110	0.000	1	105.7110	0.000	1	104.8857	0.485	9	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[3x6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:3:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6,6]O)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6,6]O){1|H<1>,1|N<2>,5|C<4>}	105.2410	0.000	1	105.2410	0.000	1	106.1314	0.475	5	106.1314	0.475	5	105.6450	1.387	8	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[3x6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:3:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	105.8620	0.000	1	106.3540	0.303	4	106.1314	0.475	5	106.1314	0.475	5	105.6450	1.387	8	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[3x6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:3:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O){1|N<2>,2|H<1>,4|C<4>}	106.5180	0.542	3	106.3540	0.303	4	106.1314	0.475	5	106.1314	0.475	5	105.6450	1.387	8	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[3x6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[3x6]-4:C[4,6,6]-4:O[6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6a]-3:	C[3x6](C[3x6]C[6,6]C[6]H)(C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(CH3)	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6,6a]C[6,6a]C[6a])	C[3x6](C[3x6]C[6,6]C[6]H)(C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(CH3){2|C<3>,3|C<4>,6|H<1>}	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,2|H<1>,5|C<4>}	103.9845	0.566	2	103.9845	0.321	2	103.9845	0.321	2	103.9845	0.321	2	105.6450	1.387	8	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[3x6]	C	O[6]	4:4:2:4:	4:4:1:1:	4:3:	C[4x6]-4:C[6,6]-4:O[6]-2:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6]-3:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(O[6]C[6])(CCHH)	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	O[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(O[6]C[6])(CCHH){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	O[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	106.5340	0.000	1	106.5340	0.000	1	106.5340	0.000	1	106.5340	0.000	1	105.6450	1.387	8	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:2:2:4:	4:1:1:1:	3:4:	C[6,6]-3:O[6]-2:O[6]-2:C-4:	C[6,6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3)	C(C[6,6]C[6,6]O[6]2)(F)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6,6]C[6,6]O[6]2)(F)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,1|H<1>,4|C<3>}	106.4942	1.029	4	106.4942	1.060	4	106.4942	1.060	4	106.2864	1.011	5	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:2:2:4:	4:1:1:1:	3:4:	N[6]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3)	C(C[6,6]O[6,6]N[6]O[6])(F)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]N[6]C)	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3){5|C<3>}	C(C[6,6]O[6,6]N[6]O[6])(F)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]N[6]C){1|H<1>,2|C<4>,3|C<3>}	105.4550	0.000	1	105.4550	0.000	1	105.4550	0.000	1	106.2864	1.011	5	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:2:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	105.8268	0.505	4	105.7663	0.431	7	105.7663	0.431	7	105.7663	0.431	7	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:2:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	106.7670	0.000	1	105.7663	0.431	7	105.7663	0.431	7	105.7663	0.431	7	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:2:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	105.0150	0.000	1	105.7663	0.431	7	105.7663	0.431	7	105.7663	0.431	7	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:2:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){2|H<1>,5|C<3>}	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	105.2750	0.000	1	105.7663	0.431	7	105.7663	0.431	7	105.7663	0.431	7	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	105.6270	0.000	1	105.6270	0.000	1	107.8625	2.100	11	107.8625	2.100	11	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	108.9950	0.447	4	108.0861	1.723	10	107.8625	2.100	11	107.8625	2.100	11	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	107.7324	1.368	5	108.0861	1.723	10	107.8625	2.100	11	107.8625	2.100	11	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	106.2190	0.000	1	108.0861	1.723	10	107.8625	2.100	11	107.8625	2.100	11	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:3:2:4:	4:1:1:1:	3:4:	C[6]-3:C[6,6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){1|O<1>,6|C<3>}	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:3:	C[6,6]-3:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(CH3){1|O<1>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O){1|H<1>,4|C<3>}	108.0445	0.581	2	108.0445	0.337	2	108.0445	0.337	2	108.0445	0.337	2	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,5,6,6]C)(C[6]C[5,6,6]HO)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,5,6]O)	C[6,6](C[6,6]C[5,5,6,6]C)(C[6]C[5,6,6]HO)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,5,6]O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	103.3730	0.000	1	103.3730	0.000	1	106.4135	2.485	10	106.1583	1.783	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	103.9060	0.000	1	103.9060	0.000	1	106.4135	2.485	10	106.1583	1.783	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(O[6]C[6])(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O){1|C<4>,2|H<1>,3|C<3>}	106.4210	0.000	1	106.4210	0.000	1	106.4135	2.485	10	106.1583	1.783	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|N<2>,2|H<1>,4|C<4>}	107.2050	0.639	7	107.2050	0.408	7	106.4135	2.485	10	106.1583	1.783	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	N[5a,6]-3:C[6,6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3)	C(C[6,6]N[5a,6]C[6,6]O[6])(H)3	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[6,6]N[5a,6]C[6,6]O[6])(H)3	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	105.7188	0.427	4	105.6480	0.162	5	105.6480	0.162	5	106.1583	1.783	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	N[5a,6]-3:C[6,6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3)	C(C[6,6]N[5a,6]C[6,6]O[6])(H)3	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[6,6]N[5a,6]C[6,6]O[6])(H)3	O[6](C[6,6]N[5a,6]C[6,6]C)(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	105.3650	0.000	1	105.6480	0.162	5	105.6480	0.162	5	106.1583	1.783	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:2:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:N[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[5,6])(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[5,6])(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|C<3>,3|H<1>}	105.1020	0.000	1	105.1020	0.000	1	105.1020	0.000	1	107.1790	4.584	4	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:2:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(CH3)	C(C[6,6]C[6,6]O[6]2)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]O[6]2)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){2|C<3>,2|H<1>,3|C<4>}	107.7640	0.000	1	107.7640	0.000	1	107.8713	4.001	3	107.1790	4.584	4	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:2:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])2(CH3)	C(C[6,6]C[6,6]O[6]2)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])2(CH3){4|C<3>,4|H<1>}	C(C[6,6]C[6,6]O[6]2)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){2|C<4>,2|H<1>,3|C<3>}	107.9250	2.826	2	107.9250	7.984	2	107.8713	4.001	3	107.1790	4.584	4	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:2:4:	4:3:1:1:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[5a,6])(O[6]C[6,6a])(CCHH)	C(C[6,6]C[6,6]O[6]2)(COO)(H)2	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O[6]C)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[5a,6])(O[6]C[6,6a])(CCHH){1|H<1>,4|C<3>}	C(C[6,6]C[6,6]O[6]2)(COO)(H)2	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O[6]C){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	103.6980	0.000	1	103.6980	0.000	1	103.6980	0.000	1	104.5250	1.368	2	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:2:4:	4:3:1:1:	3:4:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[5a,6])(O[6]C[6,6a])(CCHH)	C(C[6,6]C[6,6]O[6]2)(COO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[5a,6])(O[6]C[6,6a])(CCHH){1|H<1>,4|C<3>}	C(C[6,6]C[6,6]O[6]2)(COO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C){1|C<4>,3|C<3>,3|H<1>}	105.3520	0.000	1	105.3520	0.000	1	105.3520	0.000	1	104.5250	1.368	2	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:2:4:	4:4:1:1:	3:4:	C[6]-4:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(O[6]C[6,6a])(CCHH)	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(O[6]C[6,6a])(CCHH){1|H<1>,4|C<3>}	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:3:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	102.7760	0.000	1	102.7760	0.000	1	104.0768	1.010	9	104.0768	1.010	9	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:3:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	104.8260	0.619	2	104.1963	1.050	6	104.0768	1.010	9	104.0768	1.010	9	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:3:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|S<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	103.0320	0.000	1	104.1963	1.050	6	104.0768	1.010	9	104.0768	1.010	9	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:3:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	103.4610	0.000	1	104.1963	1.050	6	104.0768	1.010	9	104.0768	1.010	9	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:3:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|H<1>,4|C<3>}	104.5165	1.405	2	104.1963	1.050	6	104.0768	1.010	9	104.0768	1.010	9	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:3:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,3|C<3>,4|H<1>}	104.3685	0.938	2	104.3685	0.880	2	104.0768	1.010	9	104.0768	1.010	9	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	103.3325	0.818	2	103.2860	0.297	4	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	103.5670	0.000	1	103.2860	0.297	4	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	102.9120	0.000	1	103.2860	0.297	4	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	108.3830	0.000	1	108.3830	0.000	1	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	106.6676	0.728	8	106.6873	0.471	10	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	106.7660	0.718	2	106.6873	0.471	10	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	106.4270	0.000	1	106.3830	0.004	2	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	106.3390	0.000	1	106.3830	0.004	2	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	104.5733	0.769	3	104.5733	0.591	3	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6]HO)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	104.2810	0.604	2	104.2810	0.365	2	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	107.6750	0.000	1	106.7692	0.776	8	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,5|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	108.5430	0.000	1	106.7692	0.776	8	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	106.3227	0.233	6	106.7692	0.776	8	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	108.5490	0.000	1	108.0973	0.201	3	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	107.8715	0.309	2	108.0973	0.201	3	106.1180	2.568	33	106.1180	2.568	33	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[4,6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[4,6,6]C[6]O[6])(H)3	O[6](C[6,6]C[4,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[4,6,6]C[6]O[6])(H)3	O[6](C[6,6]C[4,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	108.5827	0.483	3	108.5827	0.234	3	108.5827	0.234	3	105.4197	12.890	6	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[5,6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	O[6](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	O[6](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	103.7470	0.000	1	102.2567	1.978	3	102.2567	1.978	3	105.4197	12.890	6	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[5,6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	O[6](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	O[6](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	101.5115	0.790	2	102.2567	1.978	3	102.2567	1.978	3	105.4197	12.890	6	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:2:4:4:	4:4:4:1:	3:4:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CCCH)	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<3>,2|C<4>,5|H<1>}	103.3610	0.000	1	103.3610	0.000	1	103.3610	0.000	1	103.3610	0.000	1	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	3:4:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(O[6]C[6,6a])(CH3){2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.1268	1.475	6	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	3:4:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3){1|H<1>,4|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	107.8255	0.039	2	107.8255	0.002	2	108.6870	2.227	3	108.1268	1.475	6	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	3:4:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3){1|H<1>,4|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	110.4100	0.000	1	110.4100	0.000	1	108.6870	2.227	3	108.1268	1.475	6	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	3:4:	C[6]-4:C[6,6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	107.1540	0.124	2	107.1540	0.015	2	107.1540	0.015	2	108.1268	1.475	6	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6,6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]2O[6])(H)3	O[6](C[6,6]C[6,6]2C)(C[6]C[6]H)	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6]2O[6])(H)3	O[6](C[6,6]C[6,6]2C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	106.1370	0.069	2	106.1370	0.005	2	106.1370	0.005	2	106.1370	0.005	2	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:3:1:1:	3:4:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CCHH)	C(C[6,6]C[6,6]N[6]O[6])(COO)(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]N[6]C)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CCHH){6|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(COO)(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]N[6]C){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	103.4367	0.852	6	103.4367	0.725	6	103.4367	0.725	6	103.4367	0.725	6	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	3:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	103.9575	0.032	2	103.9575	0.001	2	105.2110	2.676	4	105.2110	2.676	4	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	3:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HO)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	105.5310	0.000	1	105.5310	0.000	1	105.2110	2.676	4	105.2110	2.676	4	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	3:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	107.3980	0.000	1	107.3980	0.000	1	105.2110	2.676	4	105.2110	2.676	4	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HO)(O[6]C[6])(CH3)	C(C[6,6]C[3x6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]C)	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	106.6740	0.000	1	106.6740	0.000	1	106.1810	0.486	2	104.3325	3.746	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[3x6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]C[6]C)(C[6]O[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]C[6]C)(C[6]O[6]O){3|C<4>,3|H<1>}	105.6880	0.000	1	105.6880	0.000	1	106.1810	0.486	2	104.3325	3.746	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6,6]-4:C[6,6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[5,6,6]C[6,6]O[6])(H)3	O[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>,4|C<4>,8|H<1>}	C(C[6,6]C[5,6,6]C[6,6]O[6])(H)3	O[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O){3|H<1>,5|C<4>}	105.3820	0.000	1	105.3820	0.000	1	105.3820	0.000	1	104.3325	3.746	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6,6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]){2|C<3>,2|C<4>,6|H<1>}	103.2490	0.000	1	103.2490	0.000	1	103.1420	3.642	7	104.3325	3.746	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]){1|C<3>,4|C<4>,5|H<1>}	102.6180	0.000	1	103.1242	4.367	6	103.1420	3.642	7	104.3325	3.746	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]){1|C<3>,4|C<4>,5|H<1>}	103.2254	2.320	5	103.1242	4.367	6	103.1420	3.642	7	104.3325	3.746	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O){2|C<4>,6|H<1>}	103.5495	0.276	2	103.5495	0.076	2	105.0498	2.418	5	104.3325	3.746	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O){3|C<4>,5|H<1>}	105.4870	0.438	2	106.0500	1.047	3	105.0498	2.418	5	104.3325	3.746	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O){3|C<4>,5|H<1>}	107.1760	0.000	1	106.0500	1.047	3	105.0498	2.418	5	104.3325	3.746	15	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:3:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH)	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)2	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]O)	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)2	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]O){2|H<1>,4|C<4>}	104.4175	0.677	2	104.4175	0.458	2	104.4175	0.458	2	104.4175	0.458	2	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:4:4:2:	4:3:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C-4:C-4:O-2:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO)	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	105.6280	0.000	1	105.6280	0.000	1	105.6280	0.000	1	105.6280	0.000	1	105.8418	3.985	133	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	3:4:	O[6]-2:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6])(CH3)(H)	C(C[6]N[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6](O[6]C[6,6a])(N[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C(C[6]N[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|Br<1>,3|C<3>}	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	107.8971	0.446	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H)	C(C[6]O[6]2H)(Cl)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(Cl)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	107.1220	0.000	1	107.1220	0.000	1	107.1220	0.000	1	107.8971	0.446	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H)	C(C[6]O[6]2H)(Cl)3	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCl3)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(Cl)3	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	107.0760	0.000	1	107.0760	0.000	1	107.0760	0.000	1	107.8971	0.446	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	C(C[6]O[6]2H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	108.4220	0.000	1	108.5965	0.061	2	108.5965	0.061	2	107.8971	0.446	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	108.7710	0.000	1	108.5965	0.061	2	108.5965	0.061	2	107.8971	0.446	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6,6a]N)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6,6a]N)(C[6]O[6]CH){1|C<3>,1|N<2>}	108.0360	0.000	1	108.0360	0.000	1	107.7755	0.136	2	107.8971	0.446	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	107.5150	0.000	1	107.5150	0.000	1	107.7755	0.136	2	107.8971	0.446	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	108.8400	0.000	1	108.8400	0.000	1	108.9372	1.404	5	108.6043	0.778	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH){4|C<3>}	109.3610	0.167	2	109.3610	0.028	2	108.9372	1.404	5	108.6043	0.778	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	C(C[6]O[6]2H)(CH3)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(CH3)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	110.1330	0.000	1	110.1330	0.000	1	108.9372	1.404	5	108.6043	0.778	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	C(C[6]O[6]2H)(CH3)(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(CH3)(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH){4|C<3>}	106.9910	0.000	1	106.9910	0.000	1	108.9372	1.404	5	108.6043	0.778	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	108.1443	0.258	3	108.1443	0.066	3	108.2714	0.070	5	108.6043	0.778	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H)	C(C[6]O[6]2H)(CH3)(H)2	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(CH3)(H)2	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	108.4620	0.163	2	108.4620	0.026	2	108.2714	0.070	5	108.6043	0.778	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:4:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H)	C(C[6]O[6]2H)(CH3)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(CH3)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH){1|H<1>,3|C<3>}	110.4185	0.200	2	110.4185	0.040	2	109.8150	1.113	3	109.0178	1.328	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:4:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H)	C(C[6]O[6]2H)(CH3)2(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(CH3)2(H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CH){4|C<3>}	108.6080	0.000	1	108.6080	0.000	1	109.8150	1.113	3	109.0178	1.328	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:4:1:	3:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H)	C(C[6]O[6]2H)(CH3)2(H)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C(C[6]O[6]2H)(CH3)2(H)	O[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	108.2207	0.550	3	108.2207	0.302	3	108.2207	0.302	3	109.0178	1.328	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:4:4:	4:3:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CC3)(H)	C(C[6]O[6]2H)(CH3)3	O[6](C[6]O[6]CH)(C[6]C[6]H)	C[6](O[6]C[6])2(CC3)(H){1|C<3>,1|N<2>,2|H<1>}	C(C[6]O[6]2H)(CH3)3	O[6](C[6]O[6]CH)(C[6]C[6]H){2|C<4>}	108.8450	0.000	1	108.8450	0.000	1	108.8450	0.000	1	108.8450	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:3:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH)	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH){1|O<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|H<1>,3|C<3>}	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	106.2070	0.682	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:3:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH)	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6a]O)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH){1|O<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6a]O)(C[6]O[6]CC){2|C<3>}	105.6230	0.000	1	105.6230	0.000	1	105.6230	0.000	1	106.2070	0.682	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:3:	4:4:4:4:	4:3:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CC3)(CCC)	C(C[6]O[6]2C)(CH3)3	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CC3)(CCC){1|C<3>,1|C<4>,1|O<1>}	C(C[6]O[6]2C)(CH3)3	O[6](C[6]O[6]CC)(C[6]C[6]C){2|C<3>}	107.1370	0.000	1	107.1370	0.000	1	106.8615	0.152	2	106.8615	0.152	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:3:	4:4:4:4:	4:3:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CC3)(CCC)	C(C[6]O[6]2C)(CH3)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CC3)(CCC){1|C<3>,1|C<4>,1|O<1>}	C(C[6]O[6]2C)(CH3)3	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	106.5860	0.000	1	106.5860	0.000	1	106.8615	0.152	2	106.8615	0.152	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC){1|C<3>,1|H<1>,3|C<4>}	108.5710	11.755	2	108.5710	138.179	2	108.5710	138.179	2	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6,6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	107.1850	2.226	2	107.1850	4.955	2	108.1132	4.509	48	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6a]2)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6a]2)(C[6]O[6]CC){1|C<4>,3|C<3>}	108.6683	2.294	18	108.6683	5.262	18	108.1132	4.509	48	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,3|C<3>}	108.8360	2.889	2	107.8228	3.995	28	108.1132	4.509	48	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|H<1>,3|C<3>}	108.3963	2.175	6	107.8228	3.995	28	108.1132	4.509	48	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){1|C<4>,1|H<1>,2|C<3>}	107.5085	2.073	8	107.8228	3.995	28	108.1132	4.509	48	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC){2|C<3>,2|C<4>}	107.5766	1.912	12	107.8228	3.995	28	108.1132	4.509	48	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[4x6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[3x6]O)(C[6]O[6]CC)	C[6](O[6]C[4x6])(O[6]C[6])(CH3)2{1|C<4>,1|O<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[3x6]O)(C[6]O[6]CC){1|C<3>,1|C<4>}	106.4275	1.095	2	106.4275	1.200	2	108.0282	4.437	87	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[5,4x6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[3x6]O)(C[6]O[6]CC)	C[6](O[6]C[5,4x6])(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[3x6]O)(C[6]O[6]CC){1|C<3>,1|C<4>}	106.9890	2.109	2	106.9890	4.446	2	108.0282	4.437	87	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]H)(C[6]O[6]CC){1|C<3>,2|C<4>}	108.0490	2.199	2	108.0490	4.836	2	108.0282	4.437	87	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6a]O)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6a]O)(C[6]O[6]CC){2|C<3>}	108.2819	2.110	25	108.2819	4.450	25	108.0282	4.437	87	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[3,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[3,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	108.3397	2.280	8	108.3397	5.197	8	108.0282	4.437	87	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[4,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[4,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	107.8785	2.837	4	107.8785	8.047	4	108.0282	4.437	87	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>}	107.7179	2.321	8	108.0990	5.055	24	108.0282	4.437	87	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|O<2>}	108.2896	2.263	16	108.0990	5.055	24	108.0282	4.437	87	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]O)(C[6]O[6]CC){1|C<3>,1|C<4>,1|S<2>}	108.0644	2.476	8	107.7934	4.027	20	108.0282	4.437	87	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	3:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]O)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	107.6127	1.722	12	107.7934	4.027	20	108.0282	4.437	87	108.0659	5.385	137	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<4>,2|H<1>}	107.7125	1.474	4	107.7967	2.163	6	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|N<3>,1|O<1>,2|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<4>,2|H<1>}	107.9650	2.052	2	107.7967	2.163	6	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CCHH)(CH3)	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CCHH)(CH3){1|C<3>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	110.9200	0.174	2	110.9200	0.030	2	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<2>,1|C<3>}	107.8110	2.365	2	108.2186	4.842	22	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|C<4>}	108.8925	3.224	2	108.2186	4.842	22	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|H<1>}	108.0231	1.855	8	108.2186	4.842	22	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C){2|C<3>}	108.5265	2.947	2	108.2186	4.842	22	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](O[6]C[6])2(CH3)2{3|C<3>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|O<1>}	108.2705	2.704	8	108.2186	4.842	22	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<2>,1|C<3>}	108.5190	2.645	2	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	108.1910	3.042	2	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|H<1>}	108.3572	1.818	8	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	108.6365	2.515	2	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	108.7070	2.758	4	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	108.3242	1.933	32	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|N<2>}	107.9791	2.376	16	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	108.3567	2.259	406	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	108.2856	2.490	121	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<4>}	108.0542	2.682	4	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>}	107.6814	1.643	40	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,2|H<1>}	108.1105	3.175	4	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(C[6]C[6]O){1|N<3>,2|C<3>}	108.5270	3.627	4	108.2912	5.119	645	108.2922	5.081	675	108.2922	5.081	675	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:2:4:4:	4:4:1:1:	4:3:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](O[6]C[6])2(CCHH)(CH3)	C(C[6]O[6]2C)(CC[6a]HH)(H)2	O[6](C[6]O[6]CC)(C[6]C[6]O)	C[6](O[6]C[6])2(CCHH)(CH3){1|C<3>,2|O<1>}	C(C[6]O[6]2C)(CC[6a]HH)(H)2	O[6](C[6]O[6]CC)(C[6]C[6]O){2|C<3>}	106.3725	1.426	2	106.3725	2.034	2	106.3725	2.034	2	106.3725	2.034	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)	C[6](O[6]C[5,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH){1|S<4>,4|C<3>}	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	108.0625	2.586	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)(H){3|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|S<2>,4|C<3>}	109.2200	0.475	2	109.2200	0.226	2	109.2200	0.226	2	108.0625	2.586	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	107.8660	0.000	1	107.8660	0.000	1	107.8660	0.000	1	108.0625	2.586	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:1:	4:1:1:1:	3:4:	O[6]-2:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H)	C(C[6]N[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]N[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|H<1>,2|C<3>,2|C<4>}	104.9820	0.000	1	104.9820	0.000	1	106.6955	5.872	2	108.0625	2.586	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:1:	4:1:1:1:	3:4:	O[6]-2:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H)	C(C[6]N[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>}	C(C[6]N[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|Br<1>,1|H<1>,3|C<3>}	108.4090	0.000	1	108.4090	0.000	1	106.6955	5.872	2	108.0625	2.586	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:1:	4:3:1:1:	3:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|H<1>,3|C<3>}	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:1:	4:4:1:1:	3:4:	O[6]-2:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H)	C(C[6]N[6]O[6]H)(CHHS)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H){1|H<1>,3|C<3>}	C(C[6]N[6]O[6]H)(CHHS)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH){1|C<4>,2|C<3>,2|H<1>}	105.8760	0.000	1	105.8760	0.000	1	105.8760	0.000	1	105.8760	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:1:	4:4:4:3:	3:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-3:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)2(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CC3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)2(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,4|C<3>}	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:1:	4:4:4:4:	3:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CC3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	111.9440	0.092	2	111.9440	0.008	2	111.9440	0.008	2	111.9440	0.008	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:2:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,4|C<3>}	102.3060	0.000	1	102.3060	0.000	1	102.5786	0.238	5	102.5786	0.238	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:2:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,4|C<3>}	102.6997	0.642	3	102.6467	0.286	4	102.5786	0.238	5	102.5786	0.238	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:2:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|O<2>,4|C<3>}	102.4880	0.000	1	102.6467	0.286	4	102.5786	0.238	5	102.5786	0.238	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:2:	4:2:1:1:	3:4:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH)	C(C[6]C[6]O[6]O)(OH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(OH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	106.3470	0.000	1	106.3470	0.000	1	106.3470	0.000	1	106.3470	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:2:	4:4:4:1:	3:4:	O[6]-2:C[6]-3:C-4:N-2:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC)	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)	C[6](O[6]C[6,6a])(C[6]O[6]O)(CCCH)(NC){2|C<3>}	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	109.1430	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:3:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)	C[6](O[6]C[5a,6])(C[6]C[6]H)(CH3)(COO){3|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC){1|H<1>,1|S<2>,3|C<3>}	105.4760	0.000	1	105.4760	0.000	1	105.4760	0.000	1	106.4886	3.517	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:3:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](O[6]C[6,6])(C[6]C[6]O)(CH3)(COO){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|C<4>,2|C<3>,2|O<1>}	106.4755	0.267	2	106.4755	0.071	2	106.4755	0.071	2	106.4886	3.517	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:3:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(COO){3|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	109.5010	0.000	1	109.5010	0.000	1	107.0080	12.430	2	106.4886	3.517	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:3:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	104.5150	0.000	1	104.5150	0.000	1	107.0080	12.430	2	106.4886	3.517	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]2)(C[6]C[6]CC)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]2)(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	105.6020	1.481	2	105.6020	2.192	2	105.6797	1.961	6	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	105.2765	0.210	2	105.7185	2.531	4	105.6797	1.961	6	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	106.1605	2.601	2	105.7185	2.531	4	105.6797	1.961	6	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	104.2720	0.000	1	104.3080	0.003	2	106.1091	3.599	157	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	104.3440	0.000	1	104.3080	0.003	2	106.1091	3.599	157	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	106.0810	2.389	6	105.8488	3.201	12	106.1091	3.599	157	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|H<1>,4|C<3>}	105.6167	1.099	6	105.8488	3.201	12	106.1091	3.599	157	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	106.2042	1.791	31	106.1629	3.525	129	106.1091	3.599	157	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,1|O<2>,3|C<3>}	106.9578	2.828	4	106.1629	3.525	129	106.1091	3.599	157	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	105.9913	1.922	14	106.1629	3.525	129	106.1091	3.599	157	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	106.1372	1.882	80	106.1629	3.525	129	106.1091	3.599	157	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	105.4280	1.383	2	105.4065	2.890	8	106.1091	3.599	157	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)2{1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|H<1>,4|C<3>}	105.3993	1.914	6	105.4065	2.890	8	106.1091	3.599	157	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]S)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]S)(CH3)2{1|C<3>,1|N<2>,1|S<2>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC){1|N<2>,1|S<2>,2|C<3>}	105.6785	2.375	4	105.6785	5.640	4	106.1091	3.599	157	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	109.6745	0.349	2	109.6745	0.122	2	106.1091	3.599	157	106.0933	3.533	163	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:3:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[3]O)(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(CC[3]O)(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	103.7165	0.226	2	103.7165	0.051	2	103.7165	0.051	2	103.7165	0.051	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:4:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,3|C<3>}	108.4850	0.000	1	108.9065	0.355	2	108.9065	0.355	2	108.9065	0.355	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:3:4:4:	4:4:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|H<1>,3|C<3>}	109.3280	0.000	1	108.9065	0.355	2	108.9065	0.355	2	108.9065	0.355	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:3:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)(CH3)	C(C[6]C[6]N[6]O[6])(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)(CH3){2|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6]N[6]O[6])(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N[6]C){2|H<1>,3|C<3>,3|C<4>}	103.0690	0.000	1	103.0690	0.000	1	103.0690	0.000	1	103.0690	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	3:4:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN[5a]HH)(H){1|S<4>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	108.2780	0.000	1	108.2780	0.000	1	106.6625	5.220	2	106.6625	5.220	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	3:4:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H){2|C<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	105.0470	0.000	1	105.0470	0.000	1	106.6625	5.220	2	106.6625	5.220	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H)	C(C[6]C[6]O[6]H)(Cl)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H){2|C<3>}	C(C[6]C[6]O[6]H)(Cl)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	106.3438	4.113	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(F)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	104.4070	0.000	1	104.4070	0.000	1	106.5602	8.185	6	106.3438	4.113	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(F)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	103.8130	1.045	2	103.8130	1.092	2	106.5602	8.185	6	106.3438	4.113	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(F)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|S<4>,2|H<1>,3|C<3>}	109.1093	0.552	3	109.1093	0.305	3	106.5602	8.185	6	106.3438	4.113	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	105.9450	0.000	1	105.9450	0.000	1	107.2053	1.552	4	106.3438	4.113	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	107.5310	0.000	1	107.5310	0.000	1	107.2053	1.552	4	106.3438	4.113	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H){2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	107.6725	1.589	2	107.6725	2.525	2	107.2053	1.552	4	106.3438	4.113	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH){1|H<1>,2|C<4>,3|C<3>}	103.1330	0.000	1	103.1330	0.000	1	105.4055	2.184	6	106.3438	4.113	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,2|C<4>,3|C<3>}	104.8885	0.285	2	104.8885	0.081	2	105.4055	2.184	6	106.3438	4.113	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	106.8900	0.000	1	106.8900	0.000	1	105.4055	2.184	6	106.3438	4.113	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	106.3165	1.129	2	106.3165	1.275	2	105.4055	2.184	6	106.3438	4.113	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:2:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H)	C(C[6]C[6]O[6]H)(OS)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OS)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.4320	0.000	1	105.4320	0.000	1	107.1847	2.307	3	107.1743	1.538	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:2:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H){2|C<3>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	108.0610	0.074	2	108.0610	0.005	2	107.1847	2.307	3	107.1743	1.538	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:2:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H)	C(C[6]C[6]O[6]H)(SC)(H)2	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(SC)(H)2	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	107.1430	0.000	1	107.1430	0.000	1	107.1430	0.000	1	107.1743	1.538	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:3:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	106.7715	1.204	2	106.9885	0.567	4	106.4352	1.122	13	106.3061	1.269	14	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:3:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|S<2>,2|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	107.2055	0.251	2	106.9885	0.567	4	106.4352	1.122	13	106.3061	1.269	14	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:3:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	105.0740	0.000	1	105.0740	0.000	1	106.4352	1.122	13	106.3061	1.269	14	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:3:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]O[6]H)(CNO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CNO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	105.3653	0.500	4	105.3653	0.250	4	106.4352	1.122	13	106.3061	1.269	14	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:3:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.1660	0.075	2	107.2922	0.139	4	106.4352	1.122	13	106.3061	1.269	14	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:3:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.4185	0.590	2	107.2922	0.139	4	106.4352	1.122	13	106.3061	1.269	14	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:3:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	104.6270	0.000	1	104.6270	0.000	1	104.6270	0.000	1	106.3061	1.269	14	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:4:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	104.8930	0.000	1	104.8930	0.000	1	104.8930	0.000	1	106.2775	3.834	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:4:1:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H)	C(C[6]C[6]O[6]H)(PC[6a]2Pd)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H){2|C<3>}	C(C[6]C[6]O[6]H)(PC[6a]2Pd)(H)2	O[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	107.6620	0.000	1	107.6620	0.000	1	107.6620	0.000	1	106.2775	3.834	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:4:2:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	O[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	O[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	109.3310	0.000	1	109.3310	0.000	1	105.3736	3.590	7	105.3736	3.590	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:4:2:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	103.8490	0.000	1	103.8490	0.000	1	105.3736	3.590	7	105.3736	3.590	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:4:2:1:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	104.8870	0.770	5	104.8870	0.593	5	105.3736	3.590	7	105.3736	3.590	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:4:4:2:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H){2|C<3>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.1770	1.140	6	106.1770	1.301	6	106.1770	1.301	6	106.1770	1.301	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:1:	4:4:4:4:	3:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:2:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]O)(F)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){3|C<3>,3|H<1>}	104.5290	0.000	1	104.5290	0.000	1	104.5290	0.000	1	105.0064	1.301	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:2:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){2|C<3>,2|C<4>,2|H<1>}	107.2190	0.000	1	107.2190	0.000	1	105.0661	1.450	8	105.0064	1.301	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:2:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.2450	0.000	1	105.5923	0.092	3	105.0661	1.450	8	105.0064	1.301	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:2:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|C<3>,3|H<1>}	105.7660	0.058	2	105.5923	0.092	3	105.0661	1.450	8	105.0064	1.301	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:2:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	104.4565	0.760	2	104.4565	0.578	2	105.0661	1.450	8	105.0064	1.301	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:2:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	103.9240	0.000	1	103.8100	0.026	2	105.0661	1.450	8	105.0064	1.301	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:2:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	103.6960	0.000	1	103.8100	0.026	2	105.0661	1.450	8	105.0064	1.301	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:3:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	108.9270	0.345	2	108.9270	0.119	2	107.5883	4.193	6	107.3354	3.942	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:3:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CNO)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CNO){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	107.6545	3.621	2	107.6545	13.112	2	107.5883	4.193	6	107.3354	3.942	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:3:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(COO){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	106.1835	0.442	2	106.1835	0.195	2	107.5883	4.193	6	107.3354	3.942	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:3:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH)	C(C[6]C[6]O[6]N)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CN)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]N)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CN){1|C<4>,2|H<1>,3|C<3>}	105.8180	0.000	1	105.8180	0.000	1	105.8180	0.000	1	107.3354	3.942	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	106.8825	0.054	2	106.8825	0.003	2	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	105.4850	2.654	3	106.2676	4.772	5	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	107.4415	0.637	2	106.2676	4.772	5	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	106.2150	0.000	1	106.2150	0.000	1	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	107.7140	0.000	1	107.7140	0.000	1	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]CC){1|N<3>,2|H<1>,3|C<3>}	106.4633	2.053	8	106.4633	4.213	8	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	106.4545	1.839	42	106.2967	3.945	78	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|N<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	105.3210	3.256	2	106.2967	3.945	78	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	106.5915	2.897	2	106.2967	3.945	78	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	106.2048	2.464	4	106.2967	3.945	78	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	105.6855	1.886	10	106.2967	3.945	78	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	106.0973	2.385	4	106.2967	3.945	78	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	106.4402	2.344	14	106.2967	3.945	78	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	105.1743	2.039	4	105.1743	4.158	4	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	105.9003	2.433	6	105.9003	5.922	6	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHI)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHI)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	106.1830	0.000	1	106.1830	0.000	1	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	109.0280	0.000	1	109.0280	0.000	1	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HI)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HI)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	105.8805	3.268	2	105.8805	10.677	2	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	108.5490	0.000	1	108.5490	0.000	1	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	106.1135	3.460	2	106.1135	11.971	2	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.7560	3.408	2	106.4362	5.731	13	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.8020	3.794	2	106.4362	5.731	13	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|O<2>,2|H<1>,3|C<3>}	106.7185	3.927	2	106.4362	5.731	13	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.1597	2.089	7	106.4362	5.731	13	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.5870	0.000	1	105.5870	0.000	1	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|S<2>,2|H<1>,3|C<3>}	105.9765	4.177	2	105.9765	17.446	2	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]CO)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]O[6]CO)(CCHH)(CH3){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|O<2>,3|C<3>}	104.7340	0.000	1	104.7340	0.000	1	106.2920	4.129	129	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:I-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHI)(CH3)	C(C[6]C[6]O[6]C)(H)2(I)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHI)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)2(I)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	109.0540	0.000	1	109.0540	0.000	1	109.0540	0.000	1	106.3133	4.156	130	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:2:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6]O[6]C)(OC[6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(OC[6a])(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	104.3680	0.000	1	104.3680	0.000	1	105.1470	1.914	6	105.1470	1.914	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:2:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	C(C[6]C[6]O[6]C)(OH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(OH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	104.6540	0.000	1	105.3028	2.211	5	105.1470	1.914	6	105.1470	1.914	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:2:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	C(C[6]C[6]O[6]C)(OH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(OH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.4650	1.665	4	105.3028	2.211	5	105.1470	1.914	6	105.1470	1.914	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:2:2:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:O-2:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3)	C(C[6]C[6]O[6]C)(OC)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]C)(OC)2(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:3:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS)	C(C[6]C[6]O[6]C)(CCH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CCH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	103.9335	0.110	2	103.9335	0.012	2	103.9335	0.012	2	106.5363	5.496	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:3:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	109.6650	0.000	1	108.5880	2.320	2	108.5880	2.320	2	106.5363	5.496	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:3:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.5110	0.000	1	108.5880	2.320	2	108.5880	2.320	2	106.5363	5.496	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:3:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:S-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS)	C(C[6]C[6]O[6]C)(SC[6a]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(SC[6a]O)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	107.0875	1.604	2	107.0875	2.574	2	107.0875	2.574	2	106.5363	5.496	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:3:2:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[6]O[6]C)(CC[5]O)(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[5]O)(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	98.6930	0.000	1	98.6930	0.000	1	98.6930	0.000	1	98.6930	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:4:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	102.7860	0.643	2	102.7860	0.414	2	102.4063	13.838	9	102.9905	11.350	12	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:4:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	99.4415	3.512	3	100.4109	7.934	5	102.4063	13.838	9	102.9905	11.350	12	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:4:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	101.8650	0.124	2	100.4109	7.934	5	102.4063	13.838	9	102.9905	11.350	12	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:4:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	104.1970	0.000	1	104.1970	0.000	1	102.4063	13.838	9	102.9905	11.350	12	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:4:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]CO)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CH3)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]O[6]CO)(CCHH)(CH3){2|C<3>}	C(C[6]C[6]O[6]C)(CH3)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|O<2>,3|C<3>}	109.8330	0.000	1	109.8330	0.000	1	102.4063	13.838	9	102.9905	11.350	12	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:4:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:N[5]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	C(C[6]C[6]O[6]C)(N[5]C[5]2H)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(N[5]C[5]2H)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.7430	0.964	3	104.7430	0.929	3	104.7430	0.929	3	102.9905	11.350	12	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	2:4:4:4:	4:4:2:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	103.6190	0.000	1	103.6190	0.000	1	103.6190	0.000	1	103.6190	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:2:4:	4:1:1:1:	4:3:	C[6a]-3:N[6]-2:O[6]-2:C-4:	C[6]-4:F-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH)	C(C[6]C[6a]N[6]O[6])(F)(H)2	O[6](C[6]C[6a]N[6]C)(C[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6a]N[6]O[6])(F)(H)2	O[6](C[6]C[6a]N[6]C)(C[6]C[6]C){1|H<1>,3|C<3>}	104.6260	0.000	1	104.6260	0.000	1	104.6260	0.000	1	104.6260	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:3:4:	4:1:1:1:	3:4:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]C)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3){3|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]C){1|C<4>,2|H<1>,4|C<3>}	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	106.5110	9.091	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:3:4:	4:1:1:1:	3:4:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|H<1>,6|C<3>}	104.3790	0.000	1	104.3790	0.000	1	104.3790	0.000	1	106.5110	9.091	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:3:4:	4:3:1:1:	3:4:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH)	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	105.6140	0.000	1	105.6140	0.000	1	105.6140	0.000	1	105.6140	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	3:4:	C[5,6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,3|C<3>}	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	108.3273	4.098	8	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	3:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[5a,6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(CH3)(H){1|N<3>,4|C<3>}	C(C[6]C[5a,6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH){1|H<1>,4|C<3>}	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	108.3273	4.098	8	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	106.0690	0.000	1	108.5793	5.366	3	108.5793	5.366	3	108.3273	4.098	8	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){5|C<3>}	C(C[6]C[6,6a]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	109.8345	1.131	2	108.5793	5.366	3	108.5793	5.366	3	108.3273	4.098	8	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|O<1>,2|C<4>}	105.9985	0.248	2	105.9985	0.062	2	106.8487	2.199	3	108.3273	4.098	8	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5,6]O)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<4>}	108.5490	0.000	1	108.5490	0.000	1	106.8487	2.199	3	108.3273	4.098	8	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C(C[6]C[6,6a]O[6]H)(F)3	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(F)3	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	107.1370	0.000	1	107.1370	0.000	1	107.8177	0.347	3	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C(C[6]C[6,6a]O[6]H)(F)3	O[6](C[6]C[6,6a]CH)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(F)3	O[6](C[6]C[6,6a]CH)(C[6]N[6]O){1|S<4>,2|C<3>}	108.1580	0.000	2	108.1580	0.000	2	107.8177	0.347	3	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:Br-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br)	C(C[6]C[6]O[6]Br)(H)3	O[6](C[6]C[6]BrC)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(Br){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]Br)(H)3	O[6](C[6]C[6]BrC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>}	108.9930	0.000	1	108.9930	0.000	1	107.0166	0.670	19	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	106.5610	0.379	3	106.5610	0.144	3	107.0166	0.670	19	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>}	108.2440	0.000	1	107.2371	0.379	9	107.0166	0.670	19	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<3>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>}	106.8470	0.000	1	107.2371	0.379	9	107.0166	0.670	19	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>}	107.9660	0.000	1	107.2371	0.379	9	107.0166	0.670	19	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	107.6670	0.000	1	107.2371	0.379	9	107.0166	0.670	19	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	106.8573	0.423	3	107.2371	0.379	9	107.0166	0.670	19	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,2|O<2>}	106.9190	0.399	2	107.2371	0.379	9	107.0166	0.670	19	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]O[6]O)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.2185	0.265	2	107.2185	0.070	2	107.0166	0.670	19	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	106.3845	0.456	2	106.3845	0.208	2	107.0166	0.670	19	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]O[6]S)(O[6]C[6])(CH3)(H){1|C<4>,1|S<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	106.1500	1.058	2	106.1500	1.119	2	107.0166	0.670	19	107.1464	0.665	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:2:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.1317	1.449	4	109.1254	1.576	5	109.1254	1.576	5	108.9177	1.520	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:2:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>}	109.1000	0.000	1	109.1254	1.576	5	109.1254	1.576	5	108.9177	1.520	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:2:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(SC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.8790	0.000	1	107.8790	0.000	1	107.8790	0.000	1	108.9177	1.520	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6,6a]O[6]H)(COO)(H)2	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(COO)(H)2	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH){1|O<2>,4|C<3>}	109.0270	0.000	1	109.0270	0.000	1	109.0270	0.000	1	109.0940	0.009	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H)	C(C[6]C[6,6a]O[6]H)(COO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(COO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	109.0940	0.009	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|H<1>,2|C<3>}	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	109.7843	0.154	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>}	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	109.7843	0.154	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H)	C(C[6]C[6,6a]O[6]H)(NOO)(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(NOO)(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	109.3390	0.000	1	109.3390	0.000	1	109.3390	0.000	1	109.7843	0.154	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:4:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(CH3)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(CH3)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	109.1680	0.000	1	109.1680	0.000	1	109.1680	0.000	1	109.1680	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	3:4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6,6]O[6]H)(CH3)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)	C[6](C[6,6]N[6,6]C[6])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6]O[6]H)(CH3)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH){1|N<3>,1|O<2>,3|C<3>}	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	108.2250	0.651	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:S-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H)	C(C[6]C[6,6a]O[6]H)(SC[6a]OO)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(SC[6a]OO)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH){1|C<4>,2|H<1>,3|C<3>}	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	108.2250	0.651	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	3:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(CCHH)(H){5|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH){1|S<4>,4|C<3>}	108.1770	0.000	1	108.1770	0.000	1	108.1770	0.000	1	108.2250	0.651	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>}	110.6210	0.000	1	110.6210	0.000	1	109.5110	2.464	2	109.5110	2.464	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>}	108.4010	0.000	1	108.4010	0.000	1	109.5110	2.464	2	109.5110	2.464	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:3:1:	4:3:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6]O[6]H)(CH3)(COO)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]O[6]H)(CH3)(COO)(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]O){1|H<1>,2|C<3>}	105.4300	0.000	1	105.4300	0.000	1	105.4300	0.000	1	105.4300	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:4:1:	4:3:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6]O[6]H)(CH3)2(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]O[6]H)(CH3)2(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]O){1|H<1>,2|C<3>}	106.3875	0.278	2	106.3875	0.077	2	106.3875	0.077	2	107.4335	1.960	12	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:4:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6a]O[6]H)(CH3)2(H)	O[6](C[6]C[6,6a]CH)(C[6]N[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(CH3)2(H)	O[6](C[6]C[6,6a]CH)(C[6]N[6]H){1|N<2>,1|N<3>}	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	107.4335	1.960	12	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:4:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]N)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|N<2>,1|O<2>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	109.9570	0.000	1	109.9570	0.000	1	107.5199	2.187	9	107.4335	1.960	12	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:4:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	106.2390	0.000	1	107.2152	1.545	8	107.5199	2.187	9	107.4335	1.960	12	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:4:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,1|O<4>}	105.5350	0.000	1	107.2152	1.545	8	107.5199	2.187	9	107.4335	1.960	12	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:4:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	107.6580	1.083	6	107.2152	1.545	8	107.5199	2.187	9	107.4335	1.960	12	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:4:4:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	108.8580	0.000	1	108.8580	0.000	1	109.0550	1.853	3	109.0550	1.853	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:4:4:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CC3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>}	109.1535	1.910	2	109.1535	3.648	2	109.0550	1.853	3	109.0550	1.853	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:2:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6a]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6a]C[6])(C[6]C[6]CO){1|H<1>,4|C<3>}	101.2800	0.000	1	101.2800	0.000	1	101.2800	0.000	1	101.2800	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:2:	4:1:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:C-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC)	C(C[6]C[6,6a]O[6]C)(F)3	O[6](C[6]C[6,6a]CC)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]C)(F)3	O[6](C[6]C[6,6a]CC)(C[6]N[6]O){1|H<1>,2|C<3>}	105.2020	0.123	2	105.2020	0.015	2	105.2020	0.015	2	105.2020	0.015	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:2:	4:4:1:1:	3:4:	C[6,6a]-3:O[6]-2:C-4:O-2:	C[6]-4:C-4:F-1:F-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH)	C(C[6]C[6,6a]O[6]O)(CCFF)(F)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]O)(CCFF)(F)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO){1|H<1>,4|C<3>}	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:3:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6]C[6,6]O)(O[6]C[6])(CH3)(COO){1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]CC){1|H<1>,1|O<1>,2|C<4>}	106.4724	0.468	5	106.4724	0.219	5	106.4724	0.219	5	106.4724	0.219	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,1|H<1>,3|C<3>}	105.0260	2.942	2	105.4185	5.726	6	105.4185	5.726	6	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,1|H<1>,3|C<3>}	105.1000	0.799	2	105.4185	5.726	6	105.4185	5.726	6	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,1|H<1>,3|C<3>}	106.1295	4.221	2	105.4185	5.726	6	105.4185	5.726	6	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6,6a]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	102.9560	0.000	1	102.9560	0.000	1	104.7680	11.118	3	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6a]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	105.6740	4.161	2	105.6740	17.311	2	104.7680	11.118	3	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:Br-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]N[5,6]O)(O[6]C[6])(CBrHH)(CCHH)	C(C[6]C[6]O[6]C)(Br)(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[6]N[5,6]O)(O[6]C[6])(CBrHH)(CCHH){1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(Br)(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5a,6]O)(C[6]C[6]CC)	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5a,6]O)(C[6]C[6]CC){1|N<3>,2|C<3>}	103.6145	3.610	2	103.6145	13.031	2	104.3791	5.374	10	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6]C[6,6a]C)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CC){3|C<3>}	104.0790	4.299	2	104.0790	18.483	2	104.3791	5.374	10	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CC){1|O<1>,2|C<3>}	106.0325	2.992	2	106.0325	8.951	2	104.3791	5.374	10	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[3,6]O)(C[6]C[6]CC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[3,6]O)(C[6]C[6]CC){1|N<2>,1|O<2>,2|C<4>}	103.8910	0.594	2	103.8910	0.353	2	104.3791	5.374	10	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5,6]O)(C[6]C[6]CC){1|N<2>,1|O<2>,2|C<4>}	104.2785	0.487	2	104.2785	0.237	2	104.3791	5.374	10	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){3|H<1>,5|C<3>}	103.6300	0.000	1	103.7185	0.016	2	103.8323	0.047	3	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C){3|H<1>,5|C<3>}	103.8070	0.000	1	103.7185	0.016	2	103.8323	0.047	3	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|C<4>,2|H<1>,5|C<3>}	104.0600	0.000	1	104.0600	0.000	1	103.8323	0.047	3	104.8512	5.186	24	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:3:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(O[6]C[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(O[6]C[6])(CH3)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	105.3595	3.515	2	105.3595	12.355	2	105.3595	12.355	2	105.0860	3.307	13	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6,6a]O[6]C)(H)3	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(H)3	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6]){4|C<3>}	104.0500	0.000	1	104.0500	0.000	1	104.4190	0.272	2	105.0860	3.307	13	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3)	C(C[6]C[6,6a]O[6]C)(H)3	O[6](C[6]C[6,6a]CC)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]C)(H)3	O[6](C[6]C[6,6a]CC)(C[6]N[6]O){1|H<1>,2|C<3>}	104.7880	0.000	1	104.7880	0.000	1	104.4190	0.272	2	105.0860	3.307	13	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O){2|C<3>,2|H<1>}	105.1908	1.807	6	105.1953	3.702	8	105.1734	3.244	9	105.0860	3.307	13	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O){1|H<1>,2|C<3>}	105.2085	3.096	2	105.1953	3.702	8	105.1734	3.244	9	105.0860	3.307	13	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>}	104.9990	0.000	1	104.9990	0.000	1	105.1734	3.244	9	105.0860	3.307	13	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:2:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3)	C(C[6]C[6,6a]O[6]C)(OS)(H)2	O[6](C[6]C[6,6a]CC)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]C)(OS)(H)2	O[6](C[6]C[6,6a]CC)(C[6]N[6]O){1|H<1>,2|C<3>}	106.2290	0.000	1	106.2290	0.000	1	106.2290	0.000	1	106.0095	0.096	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:2:1:1:	4:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3)	C(C[6]C[6]O[6]C)(OC)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6a]N[6])(O[6]C[6])(CHHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(OC)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>}	105.7900	0.000	1	105.7900	0.000	1	105.7900	0.000	1	106.0095	0.096	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:3:1:1:	3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6,6a]O[6]C)(CCO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]C)(CCO)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:4:1:1:	3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2{1|N<2>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	105.0575	4.743	2	105.0575	22.492	2	105.8017	13.742	4	105.7942	10.307	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:4:1:1:	3:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC){1|H<1>,4|C<3>}	106.5460	4.064	2	106.5460	16.520	2	105.8017	13.742	4	105.7942	10.307	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:4:1:1:	3:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]N[5,6]O)(O[6]C[6])(CBrHH)(CCHH)	C(C[6]C[6]O[6]C)(CH3)(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[6]N[5,6]O)(O[6]C[6])(CBrHH)(CCHH){1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(CH3)(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	105.7640	0.000	1	105.7640	0.000	1	105.7640	0.000	1	105.7942	10.307	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:4:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:Br-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH)	C(C[6]C[6,6a]O[6]C)(CCHH)(Br)(H)	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(CCHH)(Br)(H)	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6]){4|C<3>}	106.2510	0.000	1	106.2510	0.000	1	106.2510	0.000	1	105.5977	5.712	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:4:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH)	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6]){4|C<3>}	102.9490	0.000	1	102.9490	0.000	1	105.2710	10.783	2	105.5977	5.712	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:4:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6,6a]O[6]C)(CF3)(H)2	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(CF3)(H)2	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6]){4|C<3>}	107.5930	0.000	1	107.5930	0.000	1	105.2710	10.783	2	105.5977	5.712	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:4:4:4:	3:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6]-3:C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	C(C[6]C[6]O[6]C)(CH3)3	O[6](C[6]C[3,6]O)(C[6]C[6]CC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(CH3)3	O[6](C[6]C[3,6]O)(C[6]C[6]CC){1|N<2>,1|O<2>,2|C<4>}	106.9055	0.254	2	106.9055	0.064	2	106.7565	0.054	4	106.7565	0.054	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:2:4:4:	4:4:4:4:	3:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6]-3:C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	C(C[6]C[6]O[6]C)(CH3)3	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(CH3)3	O[6](C[6]C[5,6]O)(C[6]C[6]CC){1|N<2>,1|O<2>,2|C<4>}	106.6075	0.090	2	106.6075	0.008	2	106.7565	0.054	4	106.7565	0.054	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:3:2:4:	4:1:1:1:	3:4:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	C(C[6]C[6,6a]C[6a]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C){1|H<1>,6|C<3>}	103.4083	0.778	3	103.4083	0.605	3	103.4083	0.605	3	103.4083	0.605	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<2>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]){6|C<3>}	107.9750	0.000	1	107.9750	0.000	1	106.6937	9.139	3	104.8268	6.072	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]C){4|C<3>}	108.8650	0.000	1	108.8650	0.000	1	106.6937	9.139	3	104.8268	6.072	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(Cl)(H)2	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O){1|H<1>,4|C<3>}	103.2410	0.000	1	103.2410	0.000	1	106.6937	9.139	3	104.8268	6.072	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3)	C(C[6]C[6,6a]C[6a]O[6])(F)3	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(F)3	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O){1|C<4>,4|C<3>}	101.3040	0.000	1	101.3040	0.000	1	101.3040	0.000	1	104.8268	6.072	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6,6a]C[6a]O[6])(H)3	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(H)3	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]O){2|H<1>,4|C<3>}	103.4230	0.325	2	103.4230	0.106	2	103.4230	0.106	2	104.8268	6.072	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:3:	C[6a]-3:N[6]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6a]N[6]O[6])(H)3	O[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]N[6]O[6])(H)3	O[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6]){7|C<3>}	103.6380	0.000	1	103.6380	0.000	1	103.6380	0.000	1	104.8268	6.072	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:3:	N[5a,6]-3:C[5a]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3)	C(C[6]N[5a,6]C[5a]O[6])(F)3	O[6](C[6]N[5a,6]C[5a]C)(C[6]C[6,6a]O)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C(C[6]N[5a,6]C[5a]O[6])(F)3	O[6](C[6]N[5a,6]C[5a]C)(C[6]C[6,6a]O){5|C<3>}	105.7860	0.366	2	105.7860	0.134	2	105.7860	0.134	2	104.8268	6.072	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:3:2:4:	4:4:1:1:	4:3:	N[6]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH)	C(C[6]C[6]N[6]O[6])(CC[6a]HS)(H)2	O[6](C[6]C[6]N[6]C)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6]N[6]O[6])(CC[6a]HS)(H)2	O[6](C[6]C[6]N[6]C)(C[6]C[6]C){5|C<3>}	105.5700	0.000	1	105.5700	0.000	1	105.5700	0.000	1	105.5700	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:1:	4:3:1:1:	4:3:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]O){4|C<3>}	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	107.4784	0.853	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:1:	4:3:1:1:	4:3:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>}	106.6340	0.000	1	106.6340	0.000	1	107.0940	0.152	4	107.4784	0.853	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:1:	4:3:1:1:	4:3:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|S<1>,2|C<4>}	107.3210	0.000	1	107.3210	0.000	1	107.0940	0.152	4	107.4784	0.853	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:1:	4:3:1:1:	4:3:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]S)	C[6](C[6]N[6]S)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|S<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]S){1|N<3>,1|S<1>,2|C<4>}	107.2105	0.408	2	107.2105	0.166	2	107.0940	0.152	4	107.4784	0.853	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:1:	4:3:3:1:	4:3:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H)	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	O[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,4|C<3>}	106.9500	0.208	2	106.9500	0.043	2	106.9500	0.043	2	107.9737	3.165	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:1:	4:3:3:1:	4:3:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|H<1>,3|C<3>}	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	107.9737	3.165	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6]-3:C-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	105.7273	3.206	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	104.5845	1.773	2	104.5845	3.143	2	104.5845	3.143	2	105.7273	3.206	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	107.0390	0.000	1	107.0390	0.000	1	105.4590	4.993	2	105.7273	3.206	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]H){3|C<3>,3|H<1>}	103.8790	0.000	1	103.8790	0.000	1	105.4590	4.993	2	105.7273	3.206	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	C(C[6]C[6a]C[6]O[6])(H)2(I)	O[6](C[6]C[6a]C[6]C)(C[6]N[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)2(I)	O[6](C[6]C[6a]C[6]C)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	105.3970	0.000	1	105.3970	0.000	1	105.7110	0.197	2	105.7273	3.206	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	C(C[6]C[6a]C[6]O[6])(H)2(I)	O[6](C[6]C[6a]C[6]C)(C[6]O[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)2(I)	O[6](C[6]C[6a]C[6]C)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	106.0250	0.000	1	106.0250	0.000	1	105.7110	0.197	2	105.7273	3.206	7	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	3:4:2:4:	4:3:1:1:	4:3:	C[6]-3:C-4:O[6]-2:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3)	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]C)(CC[6a]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	101.6940	0.000	1	101.6940	0.000	1	101.6940	0.000	1	101.6940	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:3:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3)	C(C[6]C[6]N[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3){1|C<3>,4|H<1>,5|C<4>}	C(C[6]C[6]N[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6]C){1|C<3>,4|C<4>,4|H<1>}	103.9830	0.000	1	103.9830	0.000	1	103.9830	0.000	1	103.9830	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.8175	0.442	2	109.8175	0.195	2	109.8175	0.195	2	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)(H){3|H<1>,4|C<3>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[6a]C[6])(C[6]C[5,6]CH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	104.8190	0.000	1	104.8190	0.000	1	104.8190	0.000	1	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CH)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CH){1|H<1>,2|C<4>,3|C<3>}	106.0590	0.000	1	106.0590	0.000	1	105.6700	0.303	2	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	105.2810	0.000	1	105.2810	0.000	1	105.6700	0.303	2	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	C(C[6]C[6]O[6]H)(Cl)3	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(Cl)3	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|H<1>,3|C<4>}	104.1905	0.322	2	104.3080	0.093	3	104.3080	0.093	3	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	C(C[6]C[6]O[6]H)(Cl)3	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(Cl)3	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|H<1>,3|C<4>}	104.5430	0.000	1	104.3080	0.093	3	104.3080	0.093	3	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C(C[6]C[6]O[6]H)(Cl)(H)2	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,2|C<3>}	C(C[6]C[6]O[6]H)(Cl)(H)2	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	107.6450	0.000	1	107.6450	0.000	1	107.6450	0.000	1	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(CH3)(H){1|O<1>,4|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|H<1>,1|O<2>,4|C<3>}	106.9960	0.256	2	106.9960	0.066	2	106.3470	0.606	4	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	105.6980	0.259	2	105.6980	0.067	2	106.3470	0.606	4	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[3x6]O)(C[6]C[6]CH)	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[3x6]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	105.5440	0.000	1	105.5440	0.000	1	105.9316	1.500	37	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5a,6]O)(C[6]C[6]CH)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5a,6]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	106.4827	1.040	3	106.4827	1.082	3	105.9316	1.500	37	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	105.1495	0.624	2	105.1495	0.390	2	105.9316	1.500	37	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,2|C<3>}	109.1005	0.421	2	109.1005	0.177	2	105.9316	1.500	37	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|F<1>,1|H<1>,2|C<3>}	105.7670	0.000	1	105.7670	0.000	1	105.9316	1.500	37	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	105.5751	0.782	18	105.5751	0.612	18	105.9316	1.500	37	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]N)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]N)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	106.4320	0.000	1	106.4320	0.000	1	105.9316	1.500	37	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	105.5096	0.633	8	105.5096	0.400	8	105.9316	1.500	37	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]N[6])(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]N[6])(C[6]C[6]CH){1|C<4>,1|H<1>,3|C<3>}	109.3510	0.000	1	109.3510	0.000	1	105.9316	1.500	37	106.0244	2.024	50	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5,6,6]C[5,5,6]S[5,6]O[6])(O[6]C[6])(CH3)(H)	C(C[6]C[5,6,6]O[6]H)(H)3	O[6](C[6]C[5,6,6]CH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,5,6]S[5,6]O[6])(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[5,6,6]O[6]H)(H)3	O[6](C[6]C[5,6,6]CH)(C[6]C[6]O){1|H<1>,1|O<2>,1|S<2>,2|C<4>}	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)	C[6](C[5,6]C[5,6,6a]C[5]H)(O[6]C[6])(CH3)(H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]C[6,6a]O){1|C<4>,1|H<1>,2|C<3>}	105.7960	0.000	1	105.7960	0.000	1	106.1223	0.800	3	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	105.4370	0.000	1	106.2855	1.440	2	106.1223	0.800	3	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|H<1>}	107.1340	0.000	1	106.2855	1.440	2	106.1223	0.800	3	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	105.0160	0.502	5	105.0160	0.252	5	105.1322	0.282	6	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	105.7130	0.000	1	105.7130	0.000	1	105.1322	0.282	6	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	C(C[6]C[6]O[6]H)(Br)(H)2	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[6]C[6]O[6]H)(Br)(H)2	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,2|H<1>}	106.8740	0.000	1	106.8740	0.000	1	106.8740	0.000	1	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]C){1|H<1>,3|C<4>}	106.1920	0.000	1	106.1920	0.000	1	105.2851	2.324	9	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	103.9520	0.000	1	103.1915	1.157	2	105.2851	2.324	9	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	102.4310	0.000	1	103.1915	1.157	2	105.2851	2.324	9	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	105.6580	0.000	1	106.1935	0.574	2	105.2851	2.324	9	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	106.7290	0.000	1	106.1935	0.574	2	105.2851	2.324	9	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|N<3>,2|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]N[6]O){2|C<3>,2|H<1>}	106.7100	0.000	1	106.7100	0.000	1	105.2851	2.324	9	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|I<1>,3|H<1>}	103.8840	0.000	1	103.8840	0.000	1	105.2851	2.324	9	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	106.5510	0.000	1	106.5510	0.000	1	105.2851	2.324	9	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	105.4590	0.000	1	105.4590	0.000	1	105.2851	2.324	9	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	C(C[6]C[6]O[6]H)(H)2(I)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(H)2(I)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	102.6880	0.000	1	102.6880	0.000	1	104.7170	8.234	2	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	C(C[6]C[6]O[6]H)(H)2(I)	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]H)(H)2(I)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,3|H<1>}	106.7460	0.000	1	106.7460	0.000	1	104.7170	8.234	2	105.5356	2.184	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	3:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	B[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](B[6]C[6a]O[6])(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](B[6]C[6a]O[6])(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.8681	1.155	7	108.8681	1.334	7	108.8681	1.334	7	107.8733	3.323	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	B[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H)	C(C[6]C[6,6]O[6]H)(OC)(H)2	O[6](B[6]C[6a]O[6])(C[6]C[6,6]CH)	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6,6]O[6]H)(OC)(H)2	O[6](B[6]C[6a]O[6])(C[6]C[6,6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.8935	2.329	2	107.8935	5.422	2	107.8935	5.422	2	107.8733	3.323	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NN)(H)2	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|S<4>,2|C<3>}	C(C[6]C[6]O[6]H)(NN)(H)2	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	107.8733	3.323	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<4>}	106.6930	0.000	3	106.6930	0.000	3	106.6930	0.000	3	107.8733	3.323	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]CH){1|O<2>,2|C<4>,2|H<1>}	111.1460	0.000	1	111.1460	0.000	1	106.8875	8.171	4	107.8733	3.323	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|F<1>,1|H<1>,2|C<3>}	105.2810	0.000	1	105.2810	0.000	1	106.8875	8.171	4	107.8733	3.323	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	105.5615	0.530	2	105.5615	0.281	2	106.8875	8.171	4	107.8733	3.323	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	106.0910	0.000	1	106.0567	0.214	3	106.0567	0.214	3	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	106.5010	0.000	1	106.0567	0.214	3	106.0567	0.214	3	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	105.5780	0.000	1	106.0567	0.214	3	106.0567	0.214	3	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H)	C(C[6]C[6,6]O[6]H)(OH)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6,6]O)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]H)(OH)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6,6]O){1|C<3>,1|H<1>,3|C<4>}	103.8390	0.000	1	103.8390	0.000	1	106.0695	9.950	2	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H)	C(C[6]C[6,6]O[6]H)(OC)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[5a,6]O)	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6]O[6]H)(OC)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[5a,6]O){2|C<3>,2|C<4>}	108.3000	0.000	1	108.3000	0.000	1	106.0695	9.950	2	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NN)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|C<3>,1|O<1>}	C(C[6]C[6]O[6]H)(NN)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<2>,2|H<1>}	106.4420	1.363	3	106.4420	1.858	3	106.4420	1.858	3	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|H<1>}	105.2050	0.000	1	105.2050	0.000	1	106.6885	0.819	13	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|H<1>,2|O<2>}	106.5160	0.000	1	106.5160	0.000	1	106.6885	0.819	13	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	106.3570	0.000	1	106.9940	0.525	8	106.6885	0.819	13	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	106.5705	1.208	2	106.9940	0.525	8	106.6885	0.819	13	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	107.5570	0.000	1	106.9940	0.525	8	106.6885	0.819	13	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,2|O<2>}	107.8960	0.000	1	106.9940	0.525	8	106.6885	0.819	13	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>}	106.5620	0.000	1	106.9940	0.525	8	106.6885	0.819	13	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>}	107.2195	0.168	2	106.9940	0.525	8	106.6885	0.819	13	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>}	106.1410	0.000	1	105.7580	0.293	2	106.6885	0.819	13	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>}	105.3750	0.000	1	105.7580	0.293	2	106.6885	0.819	13	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>}	107.7610	0.000	1	107.7610	0.000	1	106.6885	0.819	13	106.5040	1.268	21	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	O[6](C[6]N[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]H)(CCH)(H)2	O[6](C[6]N[6,6]O)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<4>}	103.6070	0.000	1	103.6070	0.000	1	105.6805	8.599	2	105.6805	8.599	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	107.7540	0.000	1	107.7540	0.000	1	105.6805	8.599	2	105.6805	8.599	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	104.5070	0.000	1	104.5070	0.000	1	105.2527	0.430	3	106.9437	11.725	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<4>,3|H<1>}	105.7380	0.000	1	105.7380	0.000	1	105.2527	0.430	3	106.9437	11.725	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<1>,3|C<4>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	105.5130	0.000	1	105.5130	0.000	1	105.2527	0.430	3	106.9437	11.725	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NCC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H){1|C<4>,3|O<1>}	C(C[6]C[6]O[6]H)(NCC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|S<4>,3|H<1>}	112.0170	0.000	1	112.0170	0.000	1	112.0170	0.000	1	106.9437	11.725	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	106.2300	0.519	3	106.2300	0.270	3	106.2300	0.270	3	106.6681	3.242	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	106.3180	0.000	1	106.3180	0.000	1	106.3180	0.000	1	106.6681	3.242	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[5]HH)(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(CC[5]HH)(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]CH){2|C<4>,3|H<1>}	109.9355	0.006	2	109.9355	0.000	2	107.8617	5.190	9	106.6681	3.242	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]N[5,6]O)(C[6]C[6]CH)	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]N[5,6]O)(C[6]C[6]CH){1|H<1>,1|I<1>,2|C<4>}	105.2695	0.435	2	105.2695	0.189	2	107.8617	5.190	9	106.6681	3.242	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|H<1>,3|C<4>}	108.4080	0.000	1	108.4080	0.000	1	107.8617	5.190	9	106.6681	3.242	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|C<4>,3|H<1>}	111.7110	0.000	1	111.7110	0.000	1	107.8617	5.190	9	106.6681	3.242	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|F<1>,1|H<1>,2|C<3>}	107.2480	0.000	1	107.2480	0.000	1	107.8617	5.190	9	106.6681	3.242	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CCHO)(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	106.3600	0.000	1	106.3600	0.000	1	107.8617	5.190	9	106.6681	3.242	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6,6a]N)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H){1|N<2>,2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6,6a]N)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	106.6180	0.000	1	106.6180	0.000	1	107.8617	5.190	9	106.6681	3.242	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6]O[6]H)2(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6]HH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)2(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	105.6596	0.646	9	105.6596	0.418	9	105.6596	0.418	9	106.6681	3.242	22	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[3,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[3,6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[3,6]CH)(C[6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H){2|H<1>,3|C<3>}	C(C[6]C[3,6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[3,6]CH)(C[6]C[6]H){2|C<4>,2|H<1>}	106.7550	0.000	1	106.7550	0.000	1	106.7550	0.000	1	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,5|C<4>}	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	110.0905	0.135	2	110.0905	0.018	2	110.0905	0.018	2	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	103.1190	0.000	1	103.1190	0.000	1	106.0470	17.146	2	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6,6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6,6]O){1|H<1>,2|C<3>,2|C<4>}	108.9750	0.000	1	108.9750	0.000	1	106.0470	17.146	2	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,2|F<1>}	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]H)(CCCH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|Br<1>,2|C<4>,2|H<1>}	105.3190	0.000	1	105.3190	0.000	1	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC3)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]H)(CC3)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	104.3140	0.000	1	104.3140	0.000	1	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	105.7700	0.321	2	105.7700	0.103	2	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	107.0350	0.000	1	109.7093	5.429	3	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	111.0465	0.360	2	109.7093	5.429	3	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C(C[6]C[6]O[6]H)(CCHO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>}	106.3425	1.213	2	106.3425	1.471	2	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>}	104.9140	0.146	2	104.9300	0.011	3	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	104.9620	0.000	1	104.9300	0.011	3	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CH3)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CH3)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	106.9425	0.193	2	105.9790	1.254	4	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CH3)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(CH3)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	105.0155	0.110	2	105.9790	1.254	4	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>}	108.2820	0.000	1	108.2820	0.000	1	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCCH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|H<1>}	106.7630	0.000	1	106.7630	0.000	1	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	107.1490	0.000	1	107.5033	0.387	3	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	107.6805	0.766	2	107.5033	0.387	3	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	105.0960	0.839	6	105.0960	0.704	6	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,1|I<1>,2|H<1>}	105.9310	0.902	2	105.9310	0.814	2	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	105.6210	0.000	1	105.6210	0.000	1	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]P)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|H<1>,1|P<4>,4|C<3>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]P){1|C<3>,1|C<4>,2|H<1>}	105.3570	0.000	1	105.3570	0.000	1	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|N<2>,1|O<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]N[6]O){1|S<3>,2|H<1>}	106.5160	0.000	1	106.5160	0.000	1	106.2243	2.786	32	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:I-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	O[6](C[6]C[6]CH)(C[6]N[6]C)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	O[6](C[6]C[6]CH)(C[6]N[6]C){1|C<4>,2|H<1>}	104.3500	0.000	1	104.3500	0.000	1	104.3500	0.000	1	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6]O[6]H)2(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)2(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,3|H<1>}	106.2680	0.000	1	106.2680	0.000	1	106.2680	0.000	1	106.4124	3.538	40	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H){1|O<1>,3|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){2|C<4>,3|H<1>}	105.7120	0.000	1	105.7120	0.000	1	105.7120	0.000	1	105.7120	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	103.4100	0.000	1	103.4100	0.000	1	105.2584	2.820	9	105.2584	2.820	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O){2|C<4>,2|H<1>}	106.7140	0.000	1	106.7140	0.000	1	105.2584	2.820	9	105.2584	2.820	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	104.2425	0.131	2	104.2425	0.017	2	105.2584	2.820	9	105.2584	2.820	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	104.0240	0.000	1	104.0240	0.000	1	105.2584	2.820	9	105.2584	2.820	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	104.2090	0.000	1	104.2090	0.000	1	105.2584	2.820	9	105.2584	2.820	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,1|S<4>,2|H<1>}	105.2380	0.000	1	105.2380	0.000	1	105.2584	2.820	9	105.2584	2.820	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	O[6](C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	O[6](C[6]C[6]CH)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	108.3760	0.000	1	108.3760	0.000	1	105.2584	2.820	9	105.2584	2.820	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	106.8700	0.000	1	106.8700	0.000	1	105.2584	2.820	9	105.2584	2.820	9	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:2:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	O[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	O[6](C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>}	106.2968	1.320	4	106.2968	1.744	4	106.2968	1.744	4	106.2968	1.744	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	105.5620	0.000	1	105.5620	0.000	1	105.6772	0.008	5	105.6772	0.008	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6,6a]N)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|N<2>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6,6a]N)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	105.6730	0.000	1	105.6730	0.000	1	105.6772	0.008	5	105.6772	0.008	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	105.7170	0.089	3	105.7170	0.008	3	105.6772	0.008	5	105.6772	0.008	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	105.7600	0.000	1	106.0776	0.591	5	106.0776	0.591	5	106.4389	2.128	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	107.4040	0.000	1	106.0776	0.591	5	106.0776	0.591	5	106.4389	2.128	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	105.7413	0.288	3	106.0776	0.591	5	106.0776	0.591	5	106.4389	2.128	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]O){1|H<1>,2|C<4>}	107.6700	0.000	1	107.6700	0.000	1	107.0913	2.542	9	106.4389	2.128	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	105.7635	0.548	2	105.7635	0.300	2	107.0913	2.542	9	106.4389	2.128	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|H<1>,3|C<4>}	106.1865	0.575	2	106.1865	0.330	2	107.0913	2.542	9	106.4389	2.128	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	109.6165	0.012	2	109.6165	0.000	2	107.0913	2.542	9	106.4389	2.128	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,1|S<4>,2|H<1>}	105.8850	0.000	1	105.8850	0.000	1	107.0913	2.542	9	106.4389	2.128	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>}	107.1340	0.000	1	107.1340	0.000	1	107.0913	2.542	9	106.4389	2.128	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:N-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,3|H<1>}	104.1940	0.000	1	104.1940	0.000	1	104.1940	0.000	1	106.4389	2.128	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	C(C[6]C[6]O[6]H)2(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)2(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	105.5285	0.412	2	105.5285	0.170	2	105.5285	0.170	2	106.4389	2.128	17	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	105.3425	0.991	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:N-2:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	O[6](C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	O[6](C[6]C[6]CH)(C[6]O[6]O){1|H<1>,2|C<4>}	105.6510	0.000	1	105.6510	0.000	1	105.6510	0.000	1	105.3425	0.991	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	105.1810	0.000	1	104.6290	0.609	2	104.6290	0.609	2	105.3425	0.991	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]O){2|C<4>,3|H<1>}	104.0770	0.000	1	104.6290	0.609	2	104.6290	0.609	2	105.3425	0.991	4	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:4:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	106.7530	0.000	1	106.7530	0.000	1	106.8700	0.011	3	106.8700	0.011	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:4:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,3|H<1>}	106.9285	0.023	2	106.9285	0.001	2	106.8700	0.011	3	106.8700	0.011	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC)	C(C[6]C[5,6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]O[6]O)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.5952	0.287	4	105.5952	0.082	4	105.5952	0.082	4	104.2712	1.724	16	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CO)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]O)(F)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	101.9760	0.000	1	101.9760	0.000	1	101.9760	0.000	1	104.2712	1.724	16	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6a]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6a]C[6])(C[6]C[6]CO){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	102.0545	1.026	2	102.0545	1.053	2	102.0545	1.053	2	104.2712	1.724	16	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){2|C<3>,2|C<4>,3|H<1>}	104.5700	0.000	1	104.5700	0.000	1	104.1527	0.147	3	104.2712	1.724	16	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]N[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH){1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]N[6])(C[6]C[6]CO){2|C<3>,2|C<4>,2|H<1>}	103.8170	0.000	1	103.8170	0.000	1	104.1527	0.147	3	104.2712	1.724	16	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	104.0710	0.000	1	104.0710	0.000	1	104.1527	0.147	3	104.2712	1.724	16	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CO)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	105.4270	0.000	1	105.4270	0.000	1	105.4270	0.000	1	104.2712	1.724	16	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6,6]C)(C[6]C[6]CO)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6,6]C)(C[6]C[6]CO){2|C<4>,2|H<1>}	105.0570	0.000	1	105.0570	0.000	1	104.3978	0.175	5	104.2712	1.724	16	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CO)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CO){1|C<4>,1|H<1>,2|C<3>}	104.3040	0.000	1	104.3040	0.000	1	104.3978	0.175	5	104.2712	1.724	16	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CO)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CO){2|C<3>,2|H<1>}	103.8940	0.000	1	103.8940	0.000	1	104.3978	0.175	5	104.2712	1.724	16	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]CO){1|C<4>,2|H<1>,3|C<3>}	104.3670	0.001	2	104.3670	0.000	2	104.3978	0.175	5	104.2712	1.724	16	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(N[6]C[6])	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(N[6]C[6]){2|C<4>,2|H<1>}	103.7600	0.062	2	103.7600	0.004	2	103.7600	0.004	2	103.7600	0.004	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:3:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH)	C(C[6]C[5,6]O[6]O)(F)3	O[6](C[6]C[5,6]CO)(C[6]C[5,6]C)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]O[6]O)(F)3	O[6](C[6]C[5,6]CO)(C[6]C[5,6]C){4|C<4>}	101.8220	0.000	1	101.8220	0.000	1	101.8220	0.000	1	104.5701	0.649	15	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]C)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]C){1|C<4>,2|H<1>,2|O<2>}	104.7200	0.000	1	104.7200	0.000	1	104.7664	0.077	14	104.5701	0.649	15	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]O)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>}	104.7699	0.289	13	104.7699	0.083	13	104.7664	0.077	14	104.5701	0.649	15	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:2:	4:4:1:1:	3:4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC)	C(C[6]C[5,6]O[6]O)(CH3)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]O[6]O)(CH3)(H)2	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	104.9760	0.000	1	104.9760	0.000	1	104.9760	0.000	1	104.9760	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:3:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	O[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CC)	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CC){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	103.7970	0.000	1	103.7970	0.000	1	103.7970	0.000	1	103.7970	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[4,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(CH3)2	C(C[6]C[4,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[4,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC){2|C<3>,2|C<4>,2|H<1>}	105.7065	2.872	2	105.7065	8.246	2	105.7065	8.246	2	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]CC){1|H<1>,2|C<4>,3|C<3>}	105.8435	2.409	2	105.8435	5.804	2	105.8435	5.804	2	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CC){1|C<3>,3|C<4>,3|H<1>}	106.0048	2.021	6	105.9439	3.824	8	105.9439	3.824	8	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CC){1|C<3>,3|C<4>,3|H<1>}	105.7610	2.500	2	105.9439	3.824	8	105.9439	3.824	8	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC){2|C<3>,2|C<4>,2|H<1>}	106.1730	3.024	2	106.1730	9.142	2	105.7952	3.692	20	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]CC){1|H<1>,2|C<3>,3|C<4>}	105.5447	1.805	10	105.5447	3.257	10	105.7952	3.692	20	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]CC){1|H<1>,2|C<4>,3|C<3>}	106.0139	2.084	8	106.0139	4.342	8	105.7952	3.692	20	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6]C[5]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	107.8090	0.000	1	107.7095	0.020	2	107.7095	0.020	2	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C(C[6]C[5]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C)	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]C){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	107.6100	0.000	1	107.7095	0.020	2	107.7095	0.020	2	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3)	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	107.6680	0.000	1	107.6680	0.000	1	105.0790	6.474	5	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	104.8070	3.253	2	104.8070	10.580	2	105.0790	6.474	5	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	104.0565	2.525	2	104.0565	6.376	2	105.0790	6.474	5	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CC){1|C<3>,3|C<4>,3|H<1>}	106.0305	1.918	4	106.0305	3.680	4	106.0305	3.680	4	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	105.5365	0.069	2	105.5365	0.005	2	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	106.2812	0.610	4	105.7157	1.257	6	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<3>,3|C<4>}	104.5845	1.153	2	105.7157	1.257	6	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	103.2990	0.000	1	103.2990	0.000	1	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	104.8610	1.650	4	104.8610	2.724	4	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	105.3110	2.247	2	105.3110	5.050	2	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	104.1192	1.923	4	104.1192	3.699	4	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	105.3127	2.299	6	105.7112	6.458	16	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){1|C<4>,2|H<1>,3|C<3>}	106.4030	3.642	2	105.7112	6.458	16	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	105.8372	2.806	8	105.7112	6.458	16	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]CC){1|H<1>,2|C<3>,3|C<4>}	104.0905	2.925	4	104.0905	8.556	4	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	104.5260	2.247	2	105.2533	5.405	18	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|S<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	106.1965	2.480	2	105.2533	5.405	18	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	105.2224	2.447	14	105.2533	5.405	18	105.2195	4.728	57	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	106.3925	3.096	2	106.3925	9.588	2	106.3925	9.588	2	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:Cl-1:Cl-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3)	C(C[6]C[6]O[6]C)(Cl)2(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]C)(Cl)2(H)	O[6](C[6]C[6,6]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	102.0140	0.000	1	102.0140	0.000	1	102.0140	0.000	1	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	B[6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](B[6]N[6]O[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2{1|N<3>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](B[6]N[6]O[6])(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	106.3040	1.210	4	106.3040	1.463	4	106.3040	1.463	4	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[3x6]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[3x6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[3x6]C[3x6]2)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[3x6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[3x6]C[3x6]2)(C[6]C[6]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	106.0200	1.947	2	106.0200	3.792	2	106.0200	3.792	2	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC){1|H<1>,1|O<1>,4|C<4>}	107.8720	0.508	2	107.8720	0.258	2	106.6577	3.234	4	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[5,6]C[5,5,6,6]C[5])(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[5,6]C[5,5,6,6]C[5])(C[6]C[6]CC){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	105.4435	1.883	2	105.4435	3.546	2	106.6577	3.234	4	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CC)	C[6](C[6]C[6]BrH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CC){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	105.9255	2.542	4	105.9255	6.462	4	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	107.2050	0.000	1	107.2050	0.000	1	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<3>,4|C<4>}	106.9597	0.426	4	106.5425	1.804	13	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<3>,4|C<4>}	106.8832	0.760	5	106.5425	1.804	13	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	105.5037	2.666	3	106.5425	1.804	13	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	106.2870	0.000	1	106.5425	1.804	13	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC){1|H<1>,3|C<3>,3|C<4>}	104.7528	2.314	6	104.7528	5.356	6	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]2)(C[6]C[6]CC)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]2)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	106.0900	2.059	4	106.0900	4.241	4	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.6335	2.508	2	106.0293	3.002	10	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.1695	1.942	2	106.0293	3.002	10	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.0525	2.089	4	106.0293	3.002	10	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.2385	1.850	2	106.0293	3.002	10	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[4,6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[4,6,6]C[6])(C[6]C[6]CC){2|C<3>,2|C<4>,3|H<1>}	103.6200	0.000	1	103.6200	0.000	1	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]CC){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.9355	2.133	2	104.9355	4.551	2	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	105.6310	0.030	2	104.8965	2.999	4	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	104.1620	2.615	2	104.8965	2.999	4	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	105.2245	2.044	2	105.2245	4.179	2	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	106.1790	2.278	2	106.1797	4.128	4	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{1|H<1>,1|N<4>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	106.1805	2.682	2	106.1797	4.128	4	105.8309	3.300	51	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	108.7770	0.000	1	105.5255	21.145	2	106.4233	6.188	16	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	102.2740	0.000	1	105.5255	21.145	2	106.4233	6.188	16	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	105.6865	2.095	2	105.6865	4.390	2	106.4233	6.188	16	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	106.6095	2.370	4	106.6095	5.618	4	106.4233	6.188	16	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	106.9765	2.993	2	106.9765	8.959	2	106.4233	6.188	16	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC)	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CC){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	106.3332	2.914	4	106.3332	8.493	4	106.4233	6.188	16	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6,6a])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6]ClH)(O[6]C[6,6a])(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	107.3125	3.307	2	107.3125	10.937	2	106.4233	6.188	16	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CH3)2{1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5,6]O)(C[6]C[6]CC){2|H<1>,3|C<4>}	105.3525	1.306	2	105.3525	1.706	2	106.2615	2.920	12	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]CC){1|C<3>,1|C<4>,2|H<1>}	107.0730	0.000	1	107.0730	0.000	1	106.2615	2.920	12	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]C)(C[6]C[6]CC)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]C)(C[6]C[6]CC){2|C<4>,2|H<1>}	106.6830	2.613	2	106.6830	6.830	2	106.2615	2.920	12	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.3780	0.000	1	108.3780	0.000	1	106.2615	2.920	12	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]CC){1|H<1>,3|C<3>}	106.2145	2.476	2	106.2145	6.129	2	106.2615	2.920	12	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]CC){2|H<1>,4|C<3>}	105.7968	1.774	4	105.7968	3.148	4	106.2615	2.920	12	105.7447	4.120	192	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[3,6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(CH3)2	C(C[6]C[3,6,6]O[6]C)(H)3	O[6](C[6]C[3,6,6]CC)(C[6]C[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[3,6,6]O[6]C)(H)3	O[6](C[6]C[3,6,6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	105.4165	2.418	8	105.4165	5.847	8	105.4165	5.847	8	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]C[6]C){2|C<4>,2|H<1>}	108.0620	0.503	2	108.0620	0.253	2	107.1515	6.968	4	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]C[6]O){2|C<4>,3|H<1>}	106.2410	4.163	2	106.2410	17.334	2	107.1515	6.968	4	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(C[6]C[6,6]O)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(C[6]C[6,6]O){1|C<3>,1|H<1>,2|C<4>}	106.5690	0.000	1	106.5690	0.000	1	104.7640	1.034	11	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	103.8810	0.313	2	104.5835	0.751	10	104.7640	1.034	11	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	104.7591	0.880	8	104.5835	0.751	10	104.7640	1.034	11	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:B[6]-3:	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(B[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2{2|C<4>,2|O<2>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(B[6]O[6]O){1|C<4>,2|H<1>}	106.6882	0.972	4	106.6882	0.944	4	106.3752	0.995	6	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:B[6]-3:	C[6](C[6]O[6]CC)(O[6]B[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(B[6]C[6]O)	C[6](C[6]O[6]CC)(O[6]B[6])(CH3)2{1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(B[6]C[6]O){1|O<2>,2|C<3>,2|C<4>}	105.7490	0.983	2	105.7490	0.966	2	106.3752	0.995	6	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	107.9970	0.000	1	107.1750	1.351	2	106.7221	4.502	22	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O){2|C<4>,3|H<1>}	106.3530	0.000	1	107.1750	1.351	2	106.7221	4.502	22	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]N[6]O){1|C<4>,3|H<1>}	105.4270	0.000	1	105.4270	0.000	1	106.7221	4.502	22	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]N[6]O){1|C<4>,3|H<1>}	105.9557	1.608	8	106.2883	5.953	14	106.7221	4.502	22	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	106.7317	3.383	6	106.2883	5.953	14	106.7221	4.502	22	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<2>,3|H<1>}	108.1710	0.000	1	108.1710	0.000	1	106.7221	4.502	22	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	107.9755	0.949	4	107.9755	0.901	4	106.7221	4.502	22	106.0878	4.169	51	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:3:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[5,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCH)(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CCH)(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC){1|H<1>,1|O<1>,4|C<4>}	102.0435	0.380	2	102.0435	0.144	2	102.0435	0.144	2	102.2253	0.171	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:3:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCH)(H)2	O[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCH)(H)2	O[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	102.5890	0.000	1	102.5890	0.000	1	102.5890	0.000	1	102.2253	0.171	3	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:3:1:1:	4:3:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[5,6]O[6]C)(CC[6a]O)(H)2	O[6](C[6]C[5,6]CC)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[5,6]O[6]C)(CC[6a]O)(H)2	O[6](C[6]C[5,6]CC)(C[6]C[6]C){2|C<4>,2|H<1>}	101.0445	0.054	2	101.0445	0.003	2	101.0445	0.003	2	101.0445	0.003	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:3:2:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C(C[6]C[6]O[6]C)(COO)(OS)(H)	O[6](C[6]C[6]CC)(C[6]N[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]C)(COO)(OS)(H)	O[6](C[6]C[6]CC)(C[6]N[6]O){1|C<4>,3|H<1>}	105.5990	0.000	1	105.5990	0.000	1	105.5990	0.000	1	105.5990	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	103.8680	0.000	1	103.8680	0.000	1	103.8680	0.000	1	103.3223	4.568	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]CC){1|H<1>,2|C<4>,3|C<3>}	103.8665	0.704	2	103.8665	0.495	2	104.8077	2.905	3	103.3223	4.568	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	O[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]CC)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	O[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]CC){2|C<3>,2|C<4>,2|H<1>}	106.6900	0.000	1	106.6900	0.000	1	104.8077	2.905	3	103.3223	4.568	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<3>,4|C<4>}	102.6593	1.197	4	102.1415	1.604	13	102.6991	5.835	14	103.3223	4.568	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<3>,4|C<4>}	101.9510	1.745	5	102.1415	1.604	13	102.6991	5.835	14	103.3223	4.568	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	101.5713	0.312	3	102.1415	1.604	13	102.6991	5.835	14	103.3223	4.568	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	102.7330	0.000	1	102.1415	1.604	13	102.6991	5.835	14	103.3223	4.568	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6]C[4,6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6]C[4,6,6]C[6])(C[6]C[6]CC){2|C<3>,2|C<4>,3|H<1>}	109.9490	0.000	1	109.9490	0.000	1	102.6991	5.835	14	103.3223	4.568	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<3>,3|C<4>}	102.4840	0.000	1	103.7810	3.364	2	103.7810	3.364	2	103.3223	4.568	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC){1|H<1>,2|C<4>,3|C<3>}	105.0780	0.000	1	103.7810	3.364	2	103.7810	3.364	2	103.3223	4.568	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)2	C(C[6]C[6]O[6]C)(CH3)(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]CC)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)2{1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(CH3)(H)2	O[6](C[6]C[5,6]O)(C[6]C[6]CC){2|H<1>,3|C<4>}	104.3660	0.048	2	104.3660	0.002	2	104.2577	0.036	3	103.3223	4.568	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CH3)(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]C)(CH3)(H)2	O[6](C[6]C[6,6]O)(C[6]C[6]CC){1|C<3>,1|C<4>,2|H<1>}	104.0410	0.000	1	104.0410	0.000	1	104.2577	0.036	3	103.3223	4.568	23	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:3:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6,6]CC)(C[6]C[6,6]O)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6,6]CC)(C[6]C[6,6]O){1|C<3>,1|H<1>,2|C<4>}	104.2250	0.000	1	104.2250	0.000	1	104.2250	0.000	1	104.0507	3.086	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	102.7790	0.000	1	102.7790	0.000	1	104.2069	3.645	8	104.0507	3.086	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[3]HH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[3]HH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]O){2|C<4>,3|H<1>}	100.6060	0.000	1	100.6060	0.000	1	104.2069	3.645	8	104.0507	3.086	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH){1|C<2>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]O[6]O){1|H<1>,2|C<4>}	106.2470	0.000	1	106.2470	0.000	1	104.2069	3.645	8	104.0507	3.086	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>}	104.7287	1.218	4	104.7287	1.483	4	104.2069	3.645	8	104.0507	3.086	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<2>,3|H<1>}	105.1080	0.000	1	105.1080	0.000	1	104.2069	3.645	8	104.0507	3.086	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:3:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[5]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH)	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	O[6](C[6]C[6]CC)(C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH){1|C<2>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	O[6](C[6]C[6]CC)(C[6]O[6]O){1|H<1>,2|C<4>}	102.6270	0.000	1	102.6270	0.000	1	102.6270	0.000	1	104.0507	3.086	10	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:3:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3)	C(C[6]C[5]C[6]O[6])(H)3	O[6](C[6]C[5]C[6]C)(C[6]C[6]O)	C[6](C[5]C[5]2H)(C[6]O[6]O)(O[6]C[6])(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[5]C[6]O[6])(H)3	O[6](C[6]C[5]C[6]C)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	106.6580	0.000	1	106.6580	0.000	1	106.1557	0.256	3	104.4490	5.620	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:3:	C[5]-4:C[6]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[5]C[6]O[6])(H)3	O[6](C[6]C[5]C[6]C)(C[6]C[5,6]O)	C[6](C[5]C[5]O[5]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5]C[6]O[6])(H)3	O[6](C[6]C[5]C[6]C)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.9045	0.364	2	105.9045	0.133	2	106.1557	0.256	3	104.4490	5.620	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6]C[6a]C[6]C)(C[6]C[5a,6]O)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6]C[6a]C[6]C)(C[6]C[5a,6]O){1|N<3>,2|H<1>,3|C<3>}	102.1370	0.000	1	102.1370	0.000	1	101.8890	0.123	2	104.4490	5.620	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O){1|H<1>,5|C<3>}	101.6410	0.000	1	101.6410	0.000	1	101.8890	0.123	2	104.4490	5.620	5	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:2:1:	3:4:1:1:	4:3:	C[6]-4:C-4:O[6]-2:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]C){1|N<3>,3|H<1>}	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:1:1:	3:4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6,6a]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	106.4225	0.378	2	106.4225	0.143	2	106.4225	0.143	2	106.4225	0.143	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	106.1130	0.000	1	106.1130	0.000	1	106.5095	0.314	2	106.5095	0.314	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:1:1:	4:3:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,3|H<1>}	106.9060	0.000	1	106.9060	0.000	1	106.5095	0.314	2	106.5095	0.314	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:N-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H){1|O<1>,3|C<3>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|H<1>,1|N<2>,2|C<3>}	105.6850	0.000	1	105.6850	0.000	1	105.6850	0.000	1	106.3240	0.817	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:2:1:	4:3:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:S-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(SC[6a])(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,4|H<1>}	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	106.3240	0.817	2	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:4:1:	4:3:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:2:1:	4:4:4:1:	4:3:	C[6]-4:C-4:O[6]-2:H-1:	C[3,5]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H)	C(C[3,5]C[3,5]C[5,6]O[3])(C[6]C[6]O[6]H)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>}	C(C[3,5]C[3,5]C[5,6]O[3])(C[6]C[6]O[6]H)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	106.0870	0.000	1	106.0870	0.000	1	106.0870	0.000	1	106.0870	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3)	C(C[6]C[5]C[6]O[6])(H)3	O[6](C[6]C[5]C[6]C)(C[6]C[6]O)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5]C[6]O[6])(H)3	O[6](C[6]C[5]C[6]C)(C[6]C[6]O){1|O<2>,3|C<4>,4|H<1>}	104.4320	0.000	1	104.4320	0.000	1	104.4320	0.000	1	104.4320	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:2:4:	4:4:1:1:	3:4:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C)	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C){2|C<3>,3|H<1>,5|C<4>}	102.0115	0.340	4	101.8698	0.187	5	102.3412	1.483	6	102.3412	1.483	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:2:4:	4:4:1:1:	3:4:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C)	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C){2|C<3>,3|H<1>,4|C<4>}	101.3030	0.000	1	101.8698	0.187	5	102.3412	1.483	6	102.3412	1.483	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:2:4:	4:4:1:1:	3:4:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C(C[6]C[4]C[6]O[6])(CC[6]HH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C)	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[4]C[6]O[6])(CC[6]HH)(H)2	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C){2|C<3>,3|H<1>,5|C<4>}	104.6980	0.000	1	104.6980	0.000	1	102.3412	1.483	6	102.3412	1.483	6	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP2_SP3	C[6]	C	O[6]	4:4:4:2:	4:3:1:1:	4:3:	C[3x6]-4:C[6]-4:C-4:O[6]-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[3x6]C[6,6]3)(C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])	C(C[6]C[3x6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[3x6]C[6]C)(C[6]C[6,6a]O)	C[6](C[3x6]C[6,6]3)(C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C(C[6]C[3x6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[3x6]C[6]C)(C[6]C[6,6a]O){2|C<3>,2|H<1>,3|C<4>}	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	106.9369	5.992	1978	106.8549	5.916	2128
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	2:2:2:4:	4:1:1:1:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3)	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3){2|H<1>,4|C<4>}	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C){1|C<3>,2|H<1>,3|C<4>}	108.8200	0.000	1	108.4000	0.360	4	108.6051	0.252	23	108.5694	0.243	27	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	2:2:2:4:	4:1:1:1:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3)	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3){2|H<1>,4|C<4>}	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]O[6,6]2C){2|H<1>,4|C<4>}	108.2600	0.650	3	108.4000	0.360	4	108.6051	0.252	23	108.5694	0.243	27	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	2:2:2:4:	4:1:1:1:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3)	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3){2|H<1>,4|C<4>}	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,4|H<1>}	108.5825	0.242	4	108.5825	0.058	4	108.6051	0.252	23	108.5694	0.243	27	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	2:2:2:4:	4:1:1:1:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(CH3)	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[3x6]C[6,6]2C[6])(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])3(CH3){2|H<1>,4|C<4>}	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[3x6]C[6,6]2C[6])(C[3x6]O[6,6]2C){4|C<4>,5|H<1>}	107.9130	0.000	1	107.9130	0.000	1	108.6051	0.252	23	108.5694	0.243	27	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	2:2:2:4:	4:1:1:1:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(CH3)	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])3(CH3){2|H<1>,4|C<4>}	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,4|H<1>}	108.6215	0.076	2	108.7196	0.266	14	108.6051	0.252	23	108.5694	0.243	27	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	2:2:2:4:	4:1:1:1:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])3(CH3)	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])3(CH3){3|C<4>,3|H<1>}	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2C){2|C<4>,2|H<1>,2|O<2>}	108.7360	0.559	12	108.7196	0.266	14	108.6051	0.252	23	108.5694	0.243	27	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	2:2:2:4:	4:1:1:1:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[4x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3)	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3){2|H<1>,4|C<4>}	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2C){1|C<3>,4|C<4>,4|H<1>}	108.1880	0.000	1	108.3640	0.188	4	108.3640	0.188	4	108.5694	0.243	27	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	2:2:2:4:	4:1:1:1:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[4x6]-4:C[3x6]-4:	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3)	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2C)	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(CH3){2|H<1>,4|C<4>}	C(C[3x6]O[6,6]3)(H)3	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]O[6,6]2C){4|H<1>,5|C<4>}	108.4227	0.512	3	108.3640	0.188	4	108.3640	0.188	4	108.5694	0.243	27	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	2:2:2:4:	4:3:1:1:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:N[5]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6](O[6,6]C[6,6])3(CN[5]HH)	C(C[3x6]O[6,6]3)(N[5]C[5]2)(H)2	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH)	C[3x6](O[6,6]C[6,6])3(CN[5]HH){1|C<4>,6|H<1>}	C(C[3x6]O[6,6]3)(N[5]C[5]2)(H)2	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH){3|C<4>}	108.5310	1.624	3	108.5310	2.637	3	108.5310	2.637	3	108.5310	2.637	3	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	2:2:2:4:	4:4:2:1:	4:4:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C-4:N-2:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6](O[6,6]C[6,6])3(CCHN)	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH)	C[3x6](O[6,6]C[6,6])3(CCHN){1|C<4>,6|H<1>}	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	O[6,6](C[3x6]O[6,6]2C)(C[6,6]C[3x6]HH){3|C<4>}	108.4947	2.095	3	108.4947	4.389	3	108.4947	4.389	3	108.4947	4.389	3	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	3:3:2:4:	4:1:1:1:	3:4:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[5,6,6])(CH3)	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	O[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[5,6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	O[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C){1|O<1>,2|C<4>,4|C<3>}	104.5650	0.000	1	104.5650	0.000	1	104.5650	0.000	1	104.5650	0.000	1	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	3:3:2:4:	4:1:1:1:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CH3)	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6]){1|C<4>,4|C<3>}	103.2420	0.335	2	103.2420	0.112	2	103.2420	0.112	2	103.2420	0.112	2	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	3:3:2:4:	4:1:1:1:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3)	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6,6a]2C)(N[6,6]C[3x6]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6,6a]2C)(N[6,6]C[3x6]C){1|C<4>,4|C<3>}	104.0170	0.000	1	104.0170	0.000	1	104.0170	0.000	1	104.0170	0.000	1	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	3:3:2:4:	4:2:1:1:	4:3:	C[6,6]-3:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO)	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	106.6560	0.000	1	106.6560	0.000	1	106.6560	0.000	1	106.6560	0.000	1	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	3:3:2:4:	4:3:1:1:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:N-3:H-1:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CHHN)	C(C[3x6]C[6,6,6a]2O[6,6])(NCH)(H)2	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CHHN){1|C<4>,2|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]2O[6,6])(NCH)(H)2	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6]){1|C<4>,4|C<3>}	103.0662	0.370	4	103.0662	0.137	4	103.0662	0.137	4	103.0662	0.137	4	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	3:4:2:4:	4:1:1:1:	4:4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH){1|C<4>,2|H<1>,3|C<3>}	105.5130	0.000	1	105.5130	0.000	1	105.5130	0.000	1	105.8949	0.347	25	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	3:4:2:4:	4:1:1:1:	4:4:	P[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|C<3>,1|N<2>,2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|C<3>,2|C<4>,4|H<1>}	105.9920	0.521	12	105.9981	0.238	22	105.9108	0.355	24	105.8949	0.347	25	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	3:4:2:4:	4:1:1:1:	4:4:	P[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|C<3>,2|C<4>,4|H<1>}	106.0936	0.486	8	105.9981	0.238	22	105.9108	0.355	24	105.8949	0.347	25	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	3:4:2:4:	4:1:1:1:	4:4:	P[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|N<2>,2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|C<3>,2|C<4>,4|H<1>}	105.6530	0.235	2	105.9981	0.238	22	105.9108	0.355	24	105.8949	0.347	25	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	3:4:2:4:	4:1:1:1:	4:4:	P[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]P[6,6])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]P[6,6])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,6|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|P<3>,2|C<4>,4|H<1>}	104.9500	1.075	2	104.9500	1.155	2	105.9108	0.355	24	105.8949	0.347	25	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	3:4:2:4:	4:2:1:1:	4:3:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3x6]-4:N[6,6]-3:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO)	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	O[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	106.9050	0.000	1	106.9050	0.000	1	106.9050	0.000	1	106.9050	0.000	1	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])(O[6,6]C[4x6])(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])(O[6,6]C[4x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	107.6420	0.000	1	107.6420	0.000	1	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|C<3>,2|C<4>,4|H<1>}	106.2870	0.298	22	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Cl<1>,2|C<4>,4|H<1>}	106.3420	0.363	2	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|O<2>,2|C<4>,4|H<1>}	106.8620	0.018	2	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|P<3>,2|C<4>,4|H<1>}	106.4137	0.917	4	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){2|C<4>,5|H<1>}	106.2560	0.102	2	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Co<4>,1|C<3>,2|C<4>,4|H<1>}	105.3265	0.032	2	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Ir<4>,1|C<3>,2|C<4>,4|H<1>}	106.1580	0.514	4	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|O<1>,1|P<4>,2|C<4>,4|H<1>}	106.2710	0.325	2	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	106.4022	0.476	6	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<4>,3|C<4>,4|H<1>}	107.0335	1.198	6	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<7>,1|C<3>,2|C<4>,4|H<1>}	105.8253	0.281	4	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<7>,1|O<2>,2|C<4>,4|H<1>}	106.4950	0.431	2	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pt<4>,1|C<3>,2|C<4>,4|H<1>}	105.9999	0.455	14	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pt<4>,1|O<2>,2|C<4>,4|H<1>}	105.9462	0.630	10	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pt<4>,3|C<4>,4|H<1>}	106.0015	0.210	2	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Rh<4>,1|N<3>,2|C<4>,4|H<1>}	105.8932	0.255	4	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){4|C<4>,4|H<1>}	105.9455	0.282	2	106.2061	0.343	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	107.1291	0.395	32	107.2888	0.272	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	107.3769	0.564	58	107.2888	0.272	90	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[3x6]C[6,6]O)(C[3x6]C[6,6]O[6,6]C)	C[3x6](C[6,6]C[4x6]HH)(O[6,6]C[3x6])2(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[3x6]C[6,6]O)(C[3x6]C[6,6]O[6,6]C){1|C<3>,2|C<4>,5|H<1>}	106.5370	0.000	1	106.5370	0.000	1	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[4x6]HH)(O[6,6]C[3x6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[4x6]HH)(O[6,6]C[3x6])2(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	106.9120	0.000	1	106.9120	0.000	1	106.7521	0.595	183	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[4x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])(O[6,6]C[4x6])(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]O[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])(O[6,6]C[4x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]O[6,6]C){2|C<3>,2|C<4>,7|H<1>}	106.6080	0.000	1	106.6080	0.000	1	106.6080	0.000	1	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[5,6,6]C[5,3x6]C[6a]O[5])(C[3x6]C[6,6]O[6,6]C)	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[5,6,6]C[5,3x6]C[6a]O[5])(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.3560	0.000	1	107.3560	0.000	1	107.4525	0.096	4	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C)	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|C<4>,3|H<1>}	107.0980	0.000	1	107.4847	0.137	3	107.4525	0.096	4	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3)	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C)	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3){2|H<1>,2|O<2>,3|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	O[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]O[6,6]C){1|O<2>,2|H<1>,3|C<4>}	107.6780	0.223	2	107.4847	0.137	3	107.4525	0.096	4	106.7662	0.591	188	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:4:1:1:	4:4:	C[3x6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(CCHH)	C(C[3x6]C[3x6]O[6,6]2)(CH3)(H)2	O[6,6](C[3x6]C[3x6]O[6,6]C)(C[3x6]C[3x6]2H)	C[3x6](C[3x6]C[4x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(CCHH){1|S<2>,2|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[3x6]O[6,6]2)(CH3)(H)2	O[6,6](C[3x6]C[3x6]O[6,6]C)(C[3x6]C[3x6]2H){3|H<1>,5|C<4>}	106.0190	0.000	1	106.0190	0.000	1	106.0190	0.000	1	106.6820	1.596	10	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:4:1:1:	4:4:	C[3x6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[4x6]-4:C[3x6]-4:	C[3x6](C[3x6]C[4x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(CCHH)	C(C[3x6]C[3x6]O[6,6]2)(CH3)(H)2	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[3x6]O[6,6]C)	C[3x6](C[3x6]C[4x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(CCHH){1|S<2>,2|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[3x6]O[6,6]2)(CH3)(H)2	O[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[3x6]O[6,6]C){4|H<1>,5|C<4>}	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	106.6820	1.596	10	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:4:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH)	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]2H)	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH){1|H<1>,2|O<2>,3|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]2H){3|H<1>,5|C<4>}	105.9120	0.000	1	105.9120	0.000	1	106.6384	1.841	8	106.6820	1.596	10	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:4:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH)	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]2O)	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH){1|H<1>,2|O<2>,3|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]2O){3|H<1>,5|C<4>}	106.8960	0.000	1	106.8960	0.000	1	106.6384	1.841	8	106.6820	1.596	10	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:4:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH)	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH){1|H<1>,2|O<2>,3|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|H<1>,4|C<4>}	107.3765	0.920	2	107.3765	0.846	2	106.6384	1.841	8	106.6820	1.596	10	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:4:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CCHH)	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CCHH){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	105.5015	1.801	2	105.5015	3.244	2	106.6384	1.841	8	106.6820	1.596	10	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:2:4:	4:4:1:1:	4:4:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CCHH)	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	O[6,6](C[3x6]C[6,6]O[6,6]C)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CCHH){1|O<2>,1|P<4>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	O[6,6](C[3x6]C[6,6]O[6,6]C)2{2|C<4>,4|H<1>}	107.2715	1.930	2	107.2715	3.724	2	106.6384	1.841	8	106.6820	1.596	10	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:3:4:	4:4:4:4:	4:4:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C-4:	C[3x6]-4:C-4:C-4:C-4:	C[5,3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(O[6,6]C[5,3x6])(C[6,6]C[6,6]H)(CC3)	C(C[3x6]C[6,6]2O[6,6])(CH3)3	O[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)	C[3x6](C[6,6]C[6,6]C[6]H)(O[6,6]C[5,3x6])(C[6,6]C[6,6]H)(CC3){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C(C[3x6]C[6,6]2O[6,6])(CH3)3	O[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	103.6170	0.000	1	103.6170	0.000	1	103.6170	0.000	1	103.6170	0.000	1	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:2:4:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C)	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2C){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	106.8700	0.000	1	106.8700	0.000	1	106.8700	0.000	1	106.8700	0.000	1	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:3:2:4:	4:1:1:1:	4:2:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:O[6,6]-2:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]N[5,6,6]O)(O[6,6]O[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(O[6,6]C[5,3x6])	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]N[5,6,6]O)(O[6,6]O[6,6])(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(O[6,6]C[5,3x6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	103.4550	0.000	1	103.4550	0.000	1	103.4550	0.000	1	103.4550	0.000	1	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:P[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]Cl)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]Cl)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Cl<1>,2|C<4>,4|H<1>}	106.5270	0.025	2	106.5270	0.001	2	105.9267	0.215	8	105.9267	0.215	8	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:P[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]H)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]H)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){2|C<4>,5|H<1>}	105.7070	0.078	2	105.7070	0.006	2	105.9267	0.215	8	105.9267	0.215	8	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:P[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]O)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]O)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|O<2>,2|C<4>,4|H<1>}	105.9110	0.083	2	105.9110	0.007	2	105.9267	0.215	8	105.9267	0.215	8	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:P[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]P)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]P)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|P<3>,2|C<4>,4|H<1>}	105.5620	0.639	2	105.5620	0.409	2	105.9267	0.215	8	105.9267	0.215	8	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:3:2:4:	4:4:4:1:	3:4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C-4:C-4:H-1:	N[6,6]-3:C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH)	C(C[3x6]C[6,6]2O[6,6])(CH3)2(H)	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2C)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH){1|C<4>,1|C<5>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(CH3)2(H)	O[6,6](N[6,6]C[3x3,4,3x5,14x6]C[3x6])(C[3x6]C[6,6]2C){1|C<3>,2|C<4>,3|H<1>,4|B<6>}	104.2210	0.274	3	104.2210	0.075	3	104.2210	0.075	3	104.2210	0.075	3	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(CH3){3|C<4>,4|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC){1|O<2>,2|C<4>,4|H<1>}	106.1690	0.000	1	106.1690	0.000	1	106.1050	0.008	2	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[3x6](C[6,6]C[6,6]HH)2(O[6,6]C[6,6])(CH3)	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)	C[3x6](C[6,6]C[6,6]HH)2(O[6,6]C[6,6])(CH3){3|C<4>,4|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC){2|C<4>,5|H<1>}	106.0410	0.000	1	106.0410	0.000	1	106.1050	0.008	2	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:P[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]CC)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]CC)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){4|C<4>,4|H<1>}	106.3805	0.534	2	106.3805	0.285	2	106.3805	0.285	2	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]C[6]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]C[6]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|H<1>,2|O<2>,6|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<4>,3|C<4>,4|H<1>}	104.5655	0.054	2	104.5655	0.003	2	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]C[6a]Co)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]C[6a]Co)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Co<4>,1|C<3>,2|C<4>,4|H<1>}	106.6170	0.048	2	106.6170	0.002	2	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]C[6a]Ir)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]C[6a]Ir)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Ir<4>,1|C<3>,2|C<4>,4|H<1>}	106.5567	0.455	4	106.5567	0.207	4	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	106.6602	0.582	6	106.4867	0.651	10	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<7>,1|C<3>,2|C<4>,4|H<1>}	106.2265	1.113	4	106.4867	0.651	10	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]C[6a]Pt)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]C[6a]Pt)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|C<3>,1|N<2>,2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pt<4>,1|C<3>,2|C<4>,4|H<1>}	106.3865	0.632	6	106.5942	0.903	12	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]C[6a]Pt)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]C[6a]Pt)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pt<4>,1|C<3>,2|C<4>,4|H<1>}	106.8018	1.218	6	106.5942	0.903	12	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]N[6]Rh)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]N[6]Rh)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|C<3>,2|O<2>,5|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Rh<4>,1|N<3>,2|C<4>,4|H<1>}	106.4477	0.606	4	106.4477	0.367	4	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]P[6,6]O)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]P[6,6]O)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|O<1>,2|O<2>,6|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|O<1>,1|P<4>,2|C<4>,4|H<1>}	107.5250	2.266	2	107.5250	5.133	2	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]PdC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]PdC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<4>,3|C<4>,4|H<1>}	107.7305	1.279	4	107.7305	1.635	4	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]PdO)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]PdO)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<7>,1|O<2>,2|C<4>,4|H<1>}	104.3090	0.730	2	104.3090	0.533	2	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]PtC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]PtC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pt<4>,1|C<3>,2|C<4>,4|H<1>}	106.8920	0.098	2	106.6347	0.191	4	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]PtC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]PtC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pt<4>,3|C<4>,4|H<1>}	106.3775	0.547	2	106.6347	0.191	4	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]PtO)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]PtO)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pt<4>,1|O<2>,2|C<4>,4|H<1>}	106.1842	0.633	10	106.1842	0.401	10	106.4527	1.066	56	106.4387	1.003	60	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:2:1:1:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[6,6]-4:C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO)	C(C[3x6]C[6,6]2O[6,6])(OH)(H)2	O[6,6](C[6,6]C[3x6]N[6a]H)(C[3x6]C[6,6]2C)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO){1|C<4>,1|N<3>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(OH)(H)2	O[6,6](C[6,6]C[3x6]N[6a]H)(C[3x6]C[6,6]2C){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	106.1543	1.080	6	106.1543	1.167	6	106.1543	1.167	6	106.1543	1.167	6	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C){1|C<3>,3|C<4>,3|H<1>}	103.6240	0.000	1	104.3655	1.100	2	104.3655	1.100	2	105.5855	2.539	4	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:4:1:1:	4:4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	O[6,6](C[3x6]N[6,6]O[6,6]H)(C[3x6]C[6,6]2C){2|C<3>,2|C<4>,3|H<1>}	105.1070	0.000	1	104.3655	1.100	2	104.3655	1.100	2	105.5855	2.539	4	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[3x6]	C	O[6,6]	4:4:2:4:	4:4:1:1:	4:4:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	C(C[3x6]C[6,6]O[6,6]P[6,6])(CH3)(H)2	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C)	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){2|C<3>,2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(CH3)(H)2	O[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]P[6,6]C){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	106.8055	0.750	2	106.8055	0.563	2	106.8055	0.563	2	105.5855	2.539	4	106.6548	1.437	350	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[4x6]	C	O[6,6]	4:4:2:4:	4:1:1:1:	4:4:	C[4x6]-4:C[3x6]-4:O[6,6]-2:C-4:	C[4x6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-4:	C[4x6](C[4x6]C[6,6,6a]C[3x6]O)(C[3x6]C[6,6a]C[3x6]O)(O[6,6]C[6,6])(CH3)	C(C[4x6]C[3x6]C[4x6]O[6,6])(H)3	O[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[6,6a]C[6]H)	C[4x6](C[4x6]C[6,6,6a]C[3x6]O)(C[3x6]C[6,6a]C[3x6]O)(O[6,6]C[6,6])(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C(C[4x6]C[3x6]C[4x6]O[6,6])(H)3	O[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[6,6a]C[6]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	105.0430	0.017	2	105.0430	0.000	2	105.0430	0.000	2	105.0430	0.000	2	105.0430	0.000	2	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	2:4:2:4:	4:1:1:1:	4:4:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	C(C[6,6]O[6,6]C[6]O[6])(H)3	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){1|Cl<1>,2|O<2>,4|C<4>}	C(C[6,6]O[6,6]C[6]O[6])(H)3	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	107.4520	0.000	1	107.5018	0.708	5	107.5018	0.708	5	107.5018	0.708	5	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	2:4:2:4:	4:1:1:1:	4:4:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	C(C[6,6]O[6,6]C[6]O[6])(H)3	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){1|H<1>,2|O<2>,4|C<4>}	C(C[6,6]O[6,6]C[6]O[6])(H)3	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	107.6933	1.105	3	107.5018	0.708	5	107.5018	0.708	5	107.5018	0.708	5	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	2:4:2:4:	4:1:1:1:	4:4:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	C(C[6,6]O[6,6]C[6]O[6])(H)3	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){3|O<2>,4|C<4>}	C(C[6,6]O[6,6]C[6]O[6])(H)3	O[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[6,6]C[6]O[6]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	106.9770	0.000	1	107.5018	0.708	5	107.5018	0.708	5	107.5018	0.708	5	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	3:2:2:4:	4:1:1:1:	4:4:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	106.6995	0.340	4	106.7384	0.094	5	106.7867	0.095	7	106.2595	2.305	8	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	3:2:2:4:	4:1:1:1:	4:4:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){2|H<1>,4|C<3>}	106.8940	0.000	1	106.7384	0.094	5	106.7867	0.095	7	106.2595	2.305	8	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	3:2:2:4:	4:1:1:1:	4:4:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C){2|H<1>,4|C<3>}	107.1840	0.000	1	106.9075	0.153	2	106.7867	0.095	7	106.2595	2.305	8	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	3:2:2:4:	4:1:1:1:	4:4:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){2|H<1>,5|C<3>}	C(C[6,6]C[6,6a]O[6,6]O[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	106.6310	0.000	1	106.9075	0.153	2	106.7867	0.095	7	106.2595	2.305	8	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	3:2:2:4:	4:1:1:1:	4:4:	N[6]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:F-1:F-1:F-1:	C[3x6]-4:C[6,6]-4:	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3)	C(C[6,6]O[6,6]N[6]O[6])(F)3	O[6,6](C[3x6]C[6,6,6a]C[6,6a]2)(C[6,6]N[6]O[6]C)	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3){5|C<3>}	C(C[6,6]O[6,6]N[6]O[6])(F)3	O[6,6](C[3x6]C[6,6,6a]C[6,6a]2)(C[6,6]N[6]O[6]C){1|C<4>,6|C<3>}	102.5690	0.000	1	102.5690	0.000	1	102.5690	0.000	1	106.2595	2.305	8	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	3:3:2:4:	4:1:1:1:	4:4:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:C-4:	C[6,6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3)	C(C[6,6]C[6,6a]2O[6,6])(F)3	O[6,6](C[6,6]C[6,6a]2C)(C[6,6]C[6]2H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3){2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[6,6a]2O[6,6])(F)3	O[6,6](C[6,6]C[6,6a]2C)(C[6,6]C[6]2H){4|C<3>,4|H<1>}	100.6930	0.000	1	100.6930	0.000	1	100.6930	0.000	1	105.2110	4.941	6	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	3:3:2:4:	4:1:1:1:	4:4:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	106.1377	0.146	3	106.1377	0.021	3	106.1146	0.052	5	105.2110	4.941	6	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	3:3:2:4:	4:1:1:1:	4:4:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|O<2>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H){1|O<1>,4|C<3>}	106.0800	0.402	2	106.0800	0.161	2	106.1146	0.052	5	105.2110	4.941	6	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	3:3:2:4:	4:4:1:1:	4:4:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH)	C(C[6,6]C[6,6a]O[6,6]C[6])(CH3)(H)2	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]C[6])(CH3)(H)2	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){1|O<1>,4|C<3>}	106.6390	0.000	1	106.6390	0.000	1	106.6390	0.000	1	106.6390	0.000	1	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	3:4:2:4:	4:1:1:1:	4:4:	C[6,6a]-3:C[6]-4:O[6,6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3)	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	O[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]C){2|H<1>,4|C<3>}	104.8650	0.000	1	104.8650	0.000	1	104.8650	0.000	1	104.8650	0.000	1	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	4:2:2:4:	4:4:1:1:	4:4:	C[6]-4:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(O[6]C[6,6a])(CCHH)	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	O[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]C)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(O[6]C[6,6a])(CCHH){1|H<1>,4|C<3>}	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	O[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]C){2|H<1>,4|C<3>}	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	4:2:3:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	105.6750	0.000	1	105.6750	0.000	1	105.9443	0.124	3	105.9443	0.124	3	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	4:2:3:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6,6]-2:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[6,6]O[6]C)(O[6,6]C[6,6])(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6,6]O[6]C)(O[6,6]C[6,6])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	O[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	106.0790	0.373	2	106.0790	0.139	2	105.9443	0.124	3	105.9443	0.124	3	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	4:2:4:1:	4:1:1:1:	4:4:	C[3x6]-4:O[6,6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H)	C(C[6,6]C[3x6]O[6,6]H)(H)3	O[6,6](C[4x6]C[4x6]2H)(C[6,6]C[3x6]CH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]O[6,6]H)(H)3	O[6,6](C[4x6]C[4x6]2H)(C[6,6]C[3x6]CH){1|H<1>,3|C<3>,3|C<4>}	107.8810	0.000	1	108.3375	0.417	2	108.3375	0.417	2	107.0112	2.439	6	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	4:2:4:1:	4:1:1:1:	4:4:	C[3x6]-4:O[6,6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H)	C(C[6,6]C[3x6]O[6,6]H)(H)3	O[6,6](C[4x6]C[4x6]2H)(C[6,6]C[3x6]CH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]O[6,6]H)(H)3	O[6,6](C[4x6]C[4x6]2H)(C[6,6]C[3x6]CH){1|H<1>,2|C<3>,4|C<4>}	108.7940	0.000	1	108.3375	0.417	2	108.3375	0.417	2	107.0112	2.439	6	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	4:2:4:1:	4:1:1:1:	4:4:	C[4x6]-4:O[6,6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(CH3)(H)	C(C[6,6]C[4x6]O[6,6]H)(H)3	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]CH)	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(CH3)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[4x6]O[6,6]H)(H)3	O[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[4x6]CH){2|C<3>,2|C<4>,2|H<1>}	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	107.0112	2.439	6	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	P[3x6]-4:C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	O[6,6](P[3x6]C[6,6]O[6,6]Cr)(C[6,6]C[5,3x6]CH)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|Cr<6>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	O[6,6](P[3x6]C[6,6]O[6,6]Cr)(C[6,6]C[5,3x6]CH){1|C<3>,1|H<1>,3|C<4>}	105.5320	0.000	1	105.5320	0.000	1	105.6147	0.023	3	107.0112	2.439	6	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	P[3x6]-4:C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	O[6,6](P[3x6]C[6,6]O[6,6]Mo)(C[6,6]C[5,3x6]CH)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|Mo<6>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	O[6,6](P[3x6]C[6,6]O[6,6]Mo)(C[6,6]C[5,3x6]CH){1|C<3>,1|H<1>,3|C<4>}	105.5210	0.000	1	105.5210	0.000	1	105.6147	0.023	3	107.0112	2.439	6	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,3x6]-4:O[6,6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	P[3x6]-4:C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H)	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	O[6,6](P[3x6]C[6,6]O[6,6]W)(C[6,6]C[5,3x6]CH)	C[6,6](C[5,3x6]C[5,6,6]2C)(O[6,6]P[3x6])(CH3)(H){1|O<2>,1|W<6>,2|C<3>,3|C<4>}	C(C[6,6]C[5,3x6]O[6,6]H)(H)3	O[6,6](P[3x6]C[6,6]O[6,6]W)(C[6,6]C[5,3x6]CH){1|C<3>,1|H<1>,3|C<4>}	105.7910	0.000	1	105.7910	0.000	1	105.6147	0.023	3	107.0112	2.439	6	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	4:2:4:4:	4:1:1:1:	4:4:	C[3x6]-4:O[6,6]-2:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2	C(C[6,6]C[3x6]O[6,6]C)(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2{3|C<4>,4|H<1>}	C(C[6,6]C[3x6]O[6,6]C)(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC){1|O<2>,2|C<4>,4|H<1>}	107.1960	1.007	2	107.0810	0.357	4	107.0810	0.357	4	107.0810	0.357	4	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6,6]	4:2:4:4:	4:1:1:1:	4:4:	C[3x6]-4:O[6,6]-2:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2	C(C[6,6]C[3x6]O[6,6]C)(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC)	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2{3|C<4>,4|H<1>}	C(C[6,6]C[3x6]O[6,6]C)(H)3	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CC){2|C<4>,5|H<1>}	106.9660	0.052	2	107.0810	0.357	4	107.0810	0.357	4	107.0810	0.357	4	106.5132	2.573	35	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	2:4:2:4:	4:1:1:1:	4:4:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	C(C[6,6]O[6,6]C[6]O[6])(H)3	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CH)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){1|H<1>,2|O<2>,4|C<4>}	C(C[6,6]O[6,6]C[6]O[6])(H)3	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	107.0127	0.186	3	107.0127	0.035	3	107.0916	0.044	5	107.0916	0.044	5	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	2:4:2:4:	4:1:1:1:	4:4:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	C(C[6,6]O[6,6]C[6]O[6])(H)3	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CO)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){3|O<2>,4|C<4>}	C(C[6,6]O[6,6]C[6]O[6])(H)3	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	107.3830	0.000	1	107.3830	0.000	1	107.0916	0.044	5	107.0916	0.044	5	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	2:4:2:4:	4:1:1:1:	4:4:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	C(C[6,6]O[6,6]C[6]O[6])(H)3	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]ClC)	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){1|Cl<1>,2|O<2>,4|C<4>}	C(C[6,6]O[6,6]C[6]O[6])(H)3	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]ClC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	107.0370	0.000	1	107.0370	0.000	1	107.0916	0.044	5	107.0916	0.044	5	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	3:2:2:4:	4:1:1:1:	4:4:	C[6,6]-3:O[6]-2:O[6]-2:C-4:	C[6,6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3)	C(C[6,6]C[6,6]O[6]2)(F)3	O[6](C[6,6]C[6,6]O[6]C)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6,6])(CF3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6,6]C[6,6]O[6]2)(F)3	O[6](C[6,6]C[6,6]O[6]C)2{5|C<3>}	105.0440	2.832	4	105.0440	8.021	4	105.0440	8.021	4	105.0440	8.021	4	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:4:	C[5a,6]-3:N[6,6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3)	C(C[6,6]C[5a,6]N[6,6]O[6])(H)3	O[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5a,6]N[6,6]O[6])(H)3	O[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.3800	0.000	1	104.3800	0.000	1	104.3800	0.000	1	104.3800	0.000	1	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	C[5a,6]-3:C[3x6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[5a,6]C[3x6]O[6])(H)3	O[6](C[6,6]C[5a,6]C[3x6]C)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(CH3){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[5a,6]C[3x6]O[6])(H)3	O[6](C[6,6]C[5a,6]C[3x6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	105.1035	0.135	2	105.1035	0.018	2	105.1035	0.018	2	107.6020	18.737	3	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	N[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]N[6,6]C[6]O[6])(H)3	O[6](C[6,6]N[6,6]C[6]C)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6,6]N[6,6]C[6]O[6])(H)3	O[6](C[6,6]N[6,6]C[6]C)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,3|C<3>}	112.5990	0.000	1	112.5990	0.000	1	112.5990	0.000	1	107.6020	18.737	3	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:Br-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CBrHH)	C(C[6,6]C[6,6]O[6]2)(Br)(H)2	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CBrHH){2|C<4>,4|H<1>}	C(C[6,6]C[6,6]O[6]2)(Br)(H)2	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH){2|C<4>,2|H<1>,2|O<2>}	110.1485	4.499	2	110.1485	20.244	2	110.1485	20.244	2	108.9533	14.407	3	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(CH3)	C(C[6,6]C[6,6]O[6]2)(H)3	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]O[6]2)(H)3	O[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	106.5630	0.000	1	106.5630	0.000	1	106.5630	0.000	1	108.9533	14.407	3	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:2:	C[3x6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O[6]-2:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]O)(O[6]O[6])(CH3)	C(C[6,6]C[3x6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]O)(O[6]O[6])(CH3){5|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6]){1|H<1>,1|O<1>,5|C<4>}	102.0558	4.397	5	102.0558	19.338	5	102.0558	19.338	5	102.0922	15.478	6	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:2:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]O[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]O[6])(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	102.2740	0.000	1	102.2740	0.000	1	102.2740	0.000	1	102.0922	15.478	6	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	104.9330	0.000	1	104.9330	0.000	1	108.1436	13.582	10	108.4725	11.706	12	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	111.7800	0.000	1	108.5001	13.724	7	108.1436	13.582	10	108.4725	11.706	12	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	110.5440	0.000	1	108.5001	13.724	7	108.1436	13.582	10	108.4725	11.706	12	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|Se<2>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	111.8920	0.000	1	108.5001	13.724	7	108.1436	13.582	10	108.4725	11.706	12	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	104.8115	0.135	2	108.5001	13.724	7	108.1436	13.582	10	108.4725	11.706	12	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	111.5580	0.000	1	108.5001	13.724	7	108.1436	13.582	10	108.4725	11.706	12	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	104.1040	0.000	1	108.5001	13.724	7	108.1436	13.582	10	108.4725	11.706	12	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|N<2>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.7300	0.000	1	104.7300	0.000	1	108.1436	13.582	10	108.4725	11.706	12	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]N[6,6a]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)	C[6,6](C[6,6]N[6,6a]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.2720	0.000	1	112.2720	0.000	1	108.1436	13.582	10	108.4725	11.706	12	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3){3|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	O[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	110.1170	0.199	2	110.1170	0.040	2	110.1170	0.040	2	108.4725	11.706	12	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:4:1:1:	4:4:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2Cl)(C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2Cl)(C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.9690	0.000	1	106.9690	0.000	1	106.9690	0.000	1	106.9690	0.000	1	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:3:2:4:	4:4:4:1:	4:4:	C[4,6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C-4:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH)	C(C[6,6]C[4,6,6]C[6]O[6])(CH3)2(H)	O[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH){1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[4,6,6]C[6]O[6])(CH3)2(H)	O[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	104.3780	0.000	1	104.3780	0.000	1	104.3780	0.000	1	104.3780	0.000	1	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:3:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:S[6]-3:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]S[6])(CH3)	C(C[6,6]C[3x6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]C[6]C)(S[6]O[6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]S[6])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]C[6]C)(S[6]O[6]O){3|C<4>,3|H<1>}	109.1310	0.378	2	109.1310	0.143	2	109.1310	0.143	2	109.1310	0.143	2	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[3x6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,7|C<4>}	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	110.4605	0.011	2	110.4605	0.000	2	110.4605	0.000	2	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[5,6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[5,6])(CH3){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C[6]C){1|C<3>,4|C<4>,7|H<1>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[5,6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[5,6])(CH3){2|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6]){1|C<3>,2|O<2>,4|C<4>,7|H<1>}	111.5330	0.000	1	111.5330	0.000	1	111.5330	0.000	1	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|H<1>,6|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C){6|H<1>,8|C<4>}	106.4570	0.744	2	106.4570	0.553	2	108.3955	12.744	8	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|H<1>,6|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)2{5|C<4>,6|H<1>}	110.3440	0.000	1	110.3440	0.000	1	108.3955	12.744	8	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){5|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	108.5820	0.236	2	108.5820	0.056	2	108.3955	12.744	8	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){2|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)2{5|C<4>,6|H<1>}	101.8070	0.000	1	101.8070	0.000	1	108.3955	12.744	8	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(CH3){1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)2{2|O<2>,3|C<4>,6|H<1>}	111.9000	0.000	1	111.9000	0.000	1	108.3955	12.744	8	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)2{2|O<2>,3|C<4>,6|H<1>}	113.0350	0.000	1	113.0350	0.000	1	108.3955	12.744	8	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[3x6]HH)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[3x6]HH){2|C<3>,2|C<4>,4|H<1>}	104.5240	0.000	1	104.5240	0.000	1	109.3013	4.835	20	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	107.8640	0.000	1	108.8268	0.532	6	109.3013	4.835	20	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	109.4340	0.136	3	108.8268	0.532	6	109.3013	4.835	20	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|H<1>,6|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	108.3975	0.470	2	108.8268	0.532	6	109.3013	4.835	20	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	109.9290	0.000	1	109.9290	0.000	1	109.3013	4.835	20	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	104.3150	0.000	1	104.3150	0.000	1	109.3013	4.835	20	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	109.5760	0.000	1	109.5760	0.000	1	109.3013	4.835	20	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]C[6]H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]C[6]H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	108.5695	0.401	4	108.5695	0.161	4	109.3013	4.835	20	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	110.8340	0.000	1	110.8340	0.000	1	109.3013	4.835	20	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[3]C[6]H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[3]C[6]H){2|O<2>,3|C<4>,6|H<1>}	112.1910	0.000	1	112.1910	0.000	1	109.3013	4.835	20	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]2C)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]2C){3|C<4>,3|O<2>,5|H<1>}	112.0680	0.341	2	112.0680	0.116	2	109.3013	4.835	20	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){1|O<2>,2|C<4>,5|H<1>}	111.6410	0.000	2	111.6410	0.000	2	109.3013	4.835	20	109.2303	6.100	33	107.8607	11.783	71	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6](O[6]C[3x6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CH)	C[6](O[6]C[3x6])2(CH3)(H){2|H<1>,3|C<4>}	C(C[6]O[6]2H)(H)3	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	107.5935	0.292	2	107.5935	0.085	2	107.5935	0.085	2	108.4866	0.636	74	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	107.8001	1.143	14	107.8684	1.177	16	107.8684	1.177	16	108.4866	0.636	74	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){2|H<1>,4|C<4>}	108.3460	0.387	2	107.8684	1.177	16	107.8684	1.177	16	108.4866	0.636	74	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	108.6906	0.798	14	108.6070	0.609	16	108.6951	0.337	56	108.4866	0.636	74	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){3|C<4>}	108.0215	0.252	2	108.6070	0.609	16	108.6951	0.337	56	108.4866	0.636	74	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	108.4470	0.000	1	108.5378	0.030	8	108.6951	0.337	56	108.4866	0.636	74	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,2|H<1>}	108.4740	0.087	5	108.5378	0.030	8	108.6951	0.337	56	108.4866	0.636	74	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CH3)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	108.7425	0.258	2	108.5378	0.030	8	108.6951	0.337	56	108.4866	0.636	74	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	108.2100	0.000	1	108.2887	0.028	3	108.6951	0.337	56	108.4866	0.636	74	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CH3)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	108.3280	0.216	2	108.2887	0.028	3	108.6951	0.337	56	108.4866	0.636	74	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6]HN)(C[6]O[6]CH)	C[6](O[6]C[6])2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]O[6]2H)(H)3	O[6](C[6]C[6]HN)(C[6]O[6]CH){1|C<4>,2|H<1>}	108.5278	0.272	5	108.5278	0.074	5	108.6951	0.337	56	108.4866	0.636	74	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(H)	C(C[6]O[6]2H)(H)3	O[6](C[6]O[6]CH)2	C[6](O[6]C[6])2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]O[6]2H)(H)3	O[6](C[6]O[6]CH)2{1|C<4>}	108.8920	0.550	24	108.8920	0.302	24	108.6951	0.337	56	108.4866	0.636	74	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:3:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CCO)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CCO)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,2|H<1>}	107.9150	1.092	2	107.9150	1.192	2	107.9150	1.192	2	107.9150	1.192	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)	C[6](O[6]C[6,6])(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH){2|C<4>,2|H<1>,2|O<2>}	107.7913	0.182	3	107.7913	0.033	3	107.7913	0.033	3	108.5031	0.594	34	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	C[6](O[6]C[6,6])(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	108.4703	0.525	3	108.4703	0.276	3	108.5719	0.595	31	108.5031	0.594	34	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,2|H<1>}	109.9330	0.000	1	109.9330	0.000	1	108.5719	0.595	31	108.5031	0.594	34	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,2|H<1>}	108.7035	0.693	8	108.5855	0.405	15	108.5719	0.595	31	108.5031	0.594	34	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH){3|C<4>}	108.3498	0.572	6	108.5855	0.405	15	108.5719	0.595	31	108.5031	0.594	34	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]O[6]2H)(CCHH)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,2|H<1>}	109.0560	0.000	1	108.5855	0.405	15	108.5719	0.595	31	108.5031	0.594	34	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CC[6]HH)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CC[6]HH)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,2|H<1>}	108.1808	0.293	4	108.1808	0.086	4	108.5719	0.595	31	108.5031	0.594	34	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CH3)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CH3)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|H<1>,2|C<4>}	109.0130	0.287	2	109.0130	0.082	2	108.5719	0.595	31	108.5031	0.594	34	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(H)	C(C[6]O[6]2H)(CHHN)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CHHN)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<4>,2|H<1>}	108.4757	1.293	6	108.4757	1.672	6	108.5719	0.595	31	108.5031	0.594	34	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:4:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCCH)(H)	C(C[6]O[6]2H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]O[6]2H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]O[6]CH){3|C<4>}	108.3480	0.000	1	108.3480	0.000	1	108.4295	0.013	2	108.4295	0.013	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:4:1:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCCH)(H)	C(C[6]O[6]2H)(CH3)2(H)	O[6](C[6]C[6]HO)(C[6]O[6]CH)	C[6](O[6]C[6])2(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]O[6]2H)(CH3)2(H)	O[6](C[6]C[6]HO)(C[6]O[6]CH){3|C<4>}	108.5110	0.000	1	108.5110	0.000	1	108.4295	0.013	2	108.4295	0.013	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	C(C[6]O[6]2H)(CH3)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CC3)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CH3)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CH){3|C<4>}	109.7565	0.363	2	109.7565	0.132	2	109.3912	0.312	11	109.3912	0.312	11	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	C(C[6]O[6]2H)(CH3)3	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CC3)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CH3)3	O[6](C[6]C[6]HH)(C[6]O[6]CH){1|C<3>,1|C<4>,1|H<1>}	109.1148	0.263	6	109.1322	0.056	8	109.3912	0.312	11	109.3912	0.312	11	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	C(C[6]O[6]2H)(CH3)3	O[6](C[6]C[6]HH)(C[6]O[6]CH)	C[6](O[6]C[6])2(CC3)(H){1|C<4>,4|H<1>}	C(C[6]O[6]2H)(CH3)3	O[6](C[6]C[6]HH)(C[6]O[6]CH){3|C<4>}	109.1845	0.194	2	109.1322	0.056	8	109.3912	0.312	11	109.3912	0.312	11	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:1:	4:4:4:4:	4:4:	O[6]-2:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CC3)(H)	C(C[6]O[6]2H)(CH3)3	O[6](C[6]C[6]HN)(C[6]O[6]CH)	C[6](O[6]C[6])2(CC3)(H){1|C<3>,1|N<2>,2|H<1>}	C(C[6]O[6]2H)(CH3)3	O[6](C[6]C[6]HN)(C[6]O[6]CH){1|C<3>,1|C<4>}	110.7320	0.000	1	110.7320	0.000	1	109.3912	0.312	11	109.3912	0.312	11	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:2:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6](O[6]C[3x6])2(CH3)(OC)	C(C[6]O[6]2O)(H)3	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CO)	C[6](O[6]C[3x6])2(CH3)(OC){2|H<1>,3|C<4>}	C(C[6]O[6]2O)(H)3	O[6](C[3x6]C[3x6]C[4x6]H)(C[6]O[6]CO){2|C<4>,2|H<1>,2|O<2>}	107.2240	0.330	2	107.2240	0.109	2	107.2240	0.109	2	107.7910	0.684	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:2:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])2(CH3)(OC)	C(C[6]O[6]2O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)	C[6](O[6]C[6,6])2(CH3)(OC){1|C<3>,2|C<4>,2|H<1>}	C(C[6]O[6]2O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO){1|O<1>,2|C<4>,2|H<1>}	108.3580	0.812	2	108.3580	0.659	2	108.3580	0.659	2	107.7910	0.684	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:3:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(CHH)	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)(CHH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	107.0150	0.000	1	110.8627	11.227	3	109.3965	16.083	4	109.3965	16.083	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:3:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(CHH)	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)(CHH){1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	112.7865	0.497	2	110.8627	11.227	3	109.3965	16.083	4	109.3965	16.083	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:3:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)(CHH)	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)(CHH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	104.9980	0.000	1	104.9980	0.000	1	109.3965	16.083	4	109.3965	16.083	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:2:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(O[6]C[3x6])	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(O[6]C[3x6]){3|C<4>}	104.9562	0.357	16	104.7536	0.291	33	105.3165	4.711	39	105.3165	4.711	39	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:2:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(O[6]C[3x6])	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(O[6]C[3x6]){3|C<4>}	104.5628	0.619	17	104.7536	0.291	33	105.3165	4.711	39	105.3165	4.711	39	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:2:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](O[6]C[6])(O[6]O[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(O[6]C[6])	C[6](O[6]C[6])(O[6]O[6])(CH3)2{1|C<4>,2|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(O[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	107.6925	5.645	2	107.6925	31.864	2	105.3165	4.711	39	105.3165	4.711	39	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:2:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](O[6]O[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(O[6]C[6])	C[6](O[6]O[6])2(CH3)2{1|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]O[6]CC)(O[6]C[6]){1|O<2>,2|C<4>}	108.7722	4.773	4	108.7722	22.781	4	105.3165	4.711	39	105.3165	4.711	39	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6](O[6]C[3x6])(O[6]C[6,6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]O[6]CC)	C[6](O[6]C[3x6])(O[6]C[6,6])(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]O[6]CC){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	108.9205	6.285	2	108.9205	39.507	2	109.3163	19.757	6	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6](O[6]C[3x6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CC)	C[6](O[6]C[3x6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CC){2|H<1>,4|C<4>}	109.5143	4.427	4	109.5143	19.602	4	109.3163	19.757	6	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6]-4:	C[6](O[6]C[4x6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]CC)	C[6](O[6]C[4x6])(O[6]C[6])(CH3)2{1|C<4>,1|O<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	O[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]CC){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.9720	6.015	2	109.9720	36.176	2	108.6650	19.138	6	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[4x6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(O[6]C[4x6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[4x6]C[5,4x6]C[6,6]O[6,6])(C[6]O[6]CC)	C[6](O[6]C[5,6,6])(O[6]C[4x6])(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[4x6]C[5,4x6]C[6,6]O[6,6])(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	108.0115	4.258	4	108.0115	18.129	4	108.6650	19.138	6	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,4x6]-4:C[6]-4:	C[6](O[6]C[5,4x6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]O[6]CC)	C[6](O[6]C[5,4x6])(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[5,4x6]C[5,6,6]2C[3x6])(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	110.5535	6.270	2	110.5535	39.312	2	110.5535	39.312	2	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(O[6]C[4x6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6,6]C[5,4x6]C[5,6]H)(C[6]O[6]CC)	C[6](O[6]C[5,6,6])(O[6]C[4x6])(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6,6]C[5,4x6]C[5,6]H)(C[6]O[6]CC){1|H<1>,2|C<3>,3|C<4>}	108.7848	3.477	4	108.7848	12.091	4	108.6806	15.865	8	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(O[6]C[5,6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]O[6]CC)	C[6](O[6]C[5,6,6])(O[6]C[5,6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]O[6]CC){6|C<4>}	108.2405	5.667	2	108.2405	32.120	2	108.6806	15.865	8	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]O[6]CC)	C[6](O[6]C[5,6,6])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]O[6]CC){1|C<3>,2|H<1>,5|C<4>}	108.9125	6.491	2	108.9125	42.127	2	108.6806	15.865	8	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(O[6]C[5,6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]O[6]CC)	C[6](O[6]C[5,6,6])(O[6]C[5,6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]O[6]CC){1|C<2>,1|H<1>,4|C<4>}	107.9950	2.326	2	107.9950	5.412	2	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[3,5,6]C[5]C)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[3,5,6]C[5]C)(C[6]O[6]CC){1|H<1>,2|O<2>,3|C<4>}	107.7163	1.748	4	107.7163	3.055	4	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|H<1>,4|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]O[6]CC){1|H<1>,5|C<4>}	108.5315	5.229	2	108.5315	27.343	2	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,5]C[5,6]C)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|H<1>,4|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,5]C[5,6]C)(C[6]O[6]CC){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	107.7200	1.911	2	107.7200	3.650	2	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	108.5118	2.807	20	108.5047	7.645	22	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	108.4340	3.284	2	108.5047	7.645	22	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CC){1|C<3>,2|C<4>,2|H<1>}	108.5610	3.827	2	108.5610	14.645	2	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	108.1635	4.204	2	108.5210	10.416	46	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	108.8160	4.298	2	108.5210	10.416	46	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	108.5888	3.453	6	108.5210	10.416	46	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	108.9935	3.689	2	108.5210	10.416	46	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	108.3634	3.116	12	108.5210	10.416	46	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|O<2>,2|H<1>,3|C<4>}	108.4839	3.595	16	108.5210	10.416	46	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	108.7110	4.592	2	108.5210	10.416	46	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	109.0595	4.195	2	108.5210	10.416	46	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	108.4220	4.250	2	108.5210	10.416	46	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5]C[6]N[5])(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|N<3>,1|O<1>,2|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[5]C[6]N[5])(C[6]O[6]CC){1|O<1>,2|H<1>,5|C<3>}	107.8220	3.377	2	107.8220	11.405	2	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[6]N[5]O[5])(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]O[6]2C)(H)3	O[6](C[5,6]C[6]N[5]O[5])(C[6]O[6]CC){1|O<1>,2|H<1>,3|C<3>}	109.9980	4.207	4	109.9980	17.702	4	108.5022	9.036	86	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[3x6])(O[6]C[6,6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[3x6])(O[6]C[6,6])(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]CC){2|H<1>,4|C<4>}	108.7175	3.900	2	108.7175	15.208	2	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	108.8189	3.596	10	108.5157	10.763	18	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	108.1366	3.036	8	108.5157	10.763	18	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]2H)(C[6]O[6]CC){1|H<1>,2|O<2>,3|C<4>}	108.9235	3.866	2	108.3790	9.948	10	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]2H)(C[6]O[6]CC){2|H<1>,4|C<4>}	108.2429	3.248	8	108.3790	9.948	10	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	107.9525	3.300	4	108.4563	12.172	46	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<3>,2|H<1>,3|C<4>}	108.2820	4.876	2	108.4563	12.172	46	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	108.9925	4.837	2	108.4563	12.172	46	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|F<1>,1|O<2>,2|C<4>,2|H<1>}	108.1035	3.246	4	108.4563	12.172	46	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	108.4860	3.418	2	108.4563	12.172	46	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){2|H<1>,4|C<4>}	108.4666	3.898	24	108.4563	12.172	46	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){3|C<4>,3|H<1>}	108.7559	3.213	8	108.4563	12.172	46	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.5500	4.402	2	108.5500	19.382	2	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[3x6]N[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[3x6]N[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	106.8306	0.586	16	106.8306	0.343	16	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|C<3>,1|O<2>,2|C<4>}	107.1646	0.639	8	107.0488	0.393	17	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|O<2>,3|C<4>}	106.9459	0.636	9	107.0488	0.393	17	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])2(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	108.5485	4.956	2	108.6856	11.059	12	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])2(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	108.8815	5.127	2	108.6856	11.059	12	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])2(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|O<1>,2|C<4>,2|H<1>}	108.6709	3.178	8	108.6856	11.059	12	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6,6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6,6a]C[5,6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	O[6](C[6,6]C[6,6,6a]C[5,6]H)(C[6]O[6]CC){1|H<1>,2|C<3>,2|C<4>}	110.1890	3.987	2	110.1890	15.894	2	108.1146	8.646	125	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[3x6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[3x6]CH)(C[6]O[6]CC)	C[6](O[6]C[3x6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[3x6]CH)(C[6]O[6]CC){3|C<4>}	108.0550	2.371	4	108.0550	5.622	4	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6,6]CH)(C[6]O[6]CC)	C[6](O[6]C[5,6,6])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6,6]CH)(C[6]O[6]CC){3|C<4>}	108.4120	3.359	2	108.4120	11.281	2	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[3,5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[3,5,6]HH)(C[6]O[6]CC){1|O<2>,2|C<4>}	108.8303	4.605	4	108.8303	21.205	4	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]CC)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|H<1>,4|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]CC)(C[6]O[6]CC){1|H<1>,2|C<4>}	108.5545	5.468	2	108.5545	29.900	2	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]CH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|H<1>,4|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]CH)(C[6]O[6]CC){1|N<3>,2|C<4>}	109.6130	4.994	2	109.2900	10.544	6	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]CH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	109.1285	3.026	4	109.2900	10.544	6	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]C[5]H)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]C[5]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	108.7620	4.487	2	108.7620	20.136	2	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	108.3380	4.436	2	108.6633	8.445	64	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	107.9765	4.093	2	108.6633	8.445	64	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	108.5055	3.081	14	108.6633	8.445	64	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	109.1207	3.143	24	108.6633	8.445	64	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]HH)(C[6]O[6]CC)	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6]HH)(C[6]O[6]CC){1|H<1>,2|C<4>}	108.3569	2.549	22	108.6633	8.445	64	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]CH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	108.6749	2.737	8	108.6749	7.489	8	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	108.7269	3.074	14	108.6741	9.407	68	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	108.9680	4.074	2	108.6741	9.407	68	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<3>,2|C<4>}	108.3225	3.354	2	108.6741	9.407	68	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	108.7648	3.489	16	108.6741	9.407	68	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|N<3>,1|O<2>}	108.8480	3.977	2	108.6741	9.407	68	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|H<1>,2|C<4>}	108.8811	3.372	8	108.6741	9.407	68	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){3|C<4>}	108.5042	2.947	24	108.6741	9.407	68	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6a]HH)(C[6]O[6]CC){2|C<3>}	109.6406	3.037	20	109.6406	9.222	20	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])(O[6]O[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])(O[6]O[6])(CH3)2{1|C<4>,2|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>}	109.4355	4.612	2	109.4355	21.275	2	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(CH3)	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CCHH)(CH3){1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	111.4030	0.129	2	111.4030	0.017	2	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[4,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[4,6]HH)(C[6]O[6]CC){3|C<4>}	108.7875	3.289	4	108.7875	10.820	4	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5,6,6]HH)(C[6]O[6]CC){1|N<3>,2|C<4>}	108.5443	3.157	4	108.5443	9.966	4	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5]C[6]H)(C[6]O[6]CC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	108.9835	5.803	2	108.9835	33.677	2	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5a]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[5a]C[6]H)(C[6]O[6]CC){1|N<2>,1|O<2>,3|C<4>}	108.3195	4.605	2	108.3195	21.210	2	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){3|C<4>}	108.6409	3.316	8	108.6409	10.999	8	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<3>,1|C<4>}	108.9825	3.133	2	108.6875	9.531	42	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	108.4616	3.540	8	108.6875	9.531	42	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|O<1>}	107.6210	3.415	2	108.6875	9.531	42	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC){3|C<4>}	108.5955	3.273	4	108.6875	9.531	42	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	108.1145	5.124	2	108.6875	9.531	42	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	108.4025	4.078	2	108.6875	9.531	42	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	109.2260	4.383	2	108.6875	9.531	42	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,2|H<1>}	109.1011	3.341	8	108.6875	9.531	42	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	108.7094	3.099	8	108.6875	9.531	42	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CC){3|C<4>}	108.9055	3.469	4	108.6875	9.531	42	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|H<1>}	108.5710	4.012	2	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>}	108.9855	4.202	2	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,2|C<4>}	108.9675	4.638	2	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	108.7206	3.388	14	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|O<1>}	108.9490	4.078	4	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	109.0158	3.271	6	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<2>}	108.8783	3.468	4	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	108.6145	3.139	24	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,2|C<4>}	108.5779	3.159	24	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|N<2>,1|O<2>}	108.6076	3.350	12	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|N<3>,1|O<2>}	108.6633	3.128	4	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|H<1>,2|C<4>}	108.9214	3.103	8	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	108.5592	3.142	14	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	109.2555	4.605	2	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	109.3025	4.943	2	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	108.4760	3.680	2	108.7014	9.695	126	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.9255	3.586	6	108.7662	11.155	10	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){1|C<4>,1|H<1>,3|C<3>}	108.5305	4.437	2	108.7662	11.155	10	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:1:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]O[6]CC){2|C<4>,3|C<3>}	108.5240	4.005	2	108.7662	11.155	10	108.7562	9.291	382	108.5997	9.406	615	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:4:1:1:	4:2:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	C(C[6]O[6]2C)(CC[6]HH)(H)2	O[6](C[6]O[6]CC)(O[6]C[3x6])	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]O[6]2C)(CC[6]HH)(H)2	O[6](C[6]O[6]CC)(O[6]C[3x6]){3|C<4>}	112.1251	0.414	16	112.3639	0.424	33	112.3639	0.424	33	112.3639	0.424	33	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:4:1:1:	4:2:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	C(C[6]O[6]2C)(CC[6]HH)(H)2	O[6](C[6]O[6]CC)(O[6]C[3x6])	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[6]O[6]2C)(CC[6]HH)(H)2	O[6](C[6]O[6]CC)(O[6]C[3x6]){3|C<4>}	112.5886	0.760	17	112.3639	0.424	33	112.3639	0.424	33	112.3639	0.424	33	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(O[6]C[6,6])(CCHH)2	C(C[6]O[6]2C)(CCHH)(H)2	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]CC)	C[6](O[6]C[5,6,6])(O[6]C[6,6])(CCHH)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(CCHH)(H)2	O[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]CC){1|H<1>,1|O<2>,4|C<4>}	107.4690	3.536	2	107.4690	12.500	2	107.4690	12.500	2	109.6498	3.828	43	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(O[6]C[6,6])(CCHH)2	C(C[6]O[6]2C)(CCHH)(H)2	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[5,6,6])(O[6]C[6,6])(CCHH)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(CCHH)(H)2	O[6](C[6,6]C[5,3x6]C[6]H)(C[6]O[6]CC){2|H<1>,4|C<4>}	108.8425	5.645	2	108.8425	31.864	2	110.1717	1.397	35	109.6498	3.828	43	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	C(C[6]O[6]2C)(CC[6]HH)(H)2	O[6](C[6,6]C[3x6]N[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]O[6]2C)(CC[6]HH)(H)2	O[6](C[6,6]C[3x6]N[6]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.6964	0.529	16	110.6964	0.280	16	110.1717	1.397	35	109.6498	3.828	43	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	C(C[6]O[6]2C)(CC[6]HH)(H)2	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[6]O[6]2C)(CC[6]HH)(H)2	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|C<3>,1|O<2>,2|C<4>}	109.7676	0.293	8	109.8342	0.097	17	110.1717	1.397	35	109.6498	3.828	43	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	C(C[6]O[6]2C)(CC[6]HH)(H)2	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[6]O[6]2C)(CC[6]HH)(H)2	O[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC){1|O<2>,3|C<4>}	109.8933	0.332	9	109.8342	0.097	17	110.1717	1.397	35	109.6498	3.828	43	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)(CH3)	C(C[6]O[6]2C)(CC[6]HH)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CCHH)(CH3){1|C<4>,4|H<1>}	C(C[6]O[6]2C)(CC[6]HH)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	105.8830	1.706	2	105.8830	2.909	2	107.3327	9.902	6	109.6498	3.828	43	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:4:1:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCHH)2	C(C[6]O[6]2C)(CCHH)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CCHH)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(CCHH)(H)2	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	108.0575	3.665	4	108.0575	13.433	4	107.3327	9.902	6	109.6498	3.828	43	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:2:4:4:	4:4:4:1:	4:4:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6])2(CCCH)2	C(C[6]O[6]2C)(CC[6a]HH)2(H)	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6])2(CCCH)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(CC[6a]HH)2(H)	O[6](C[6]C[6]HH)(C[6]O[6]CC){3|C<4>}	107.8021	3.291	8	107.8021	10.831	8	107.8021	10.831	8	107.8021	10.831	8	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:1:	4:1:1:1:	4:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6,6]C[5,5,6]S[5,6]C[6])(C[6]C[6]CH)	C[6](O[6]C[5,6,6])(C[6]O[6]O)(CH3)(H){1|S<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6,6]C[5,5,6]S[5,6]C[6])(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	107.2570	0.000	1	107.2570	0.000	1	107.2570	0.000	1	106.3755	1.554	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:1:	4:1:1:1:	4:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)	C[6](O[6]C[5,6])(C[6]C[6]H)(CH3)(H){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	105.4940	0.000	1	105.4940	0.000	1	105.4940	0.000	1	106.3755	1.554	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:1:	4:3:1:1:	4:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|O<2>,4|H<1>}	105.8520	0.000	1	105.8520	0.000	1	106.4265	0.660	2	106.4265	0.660	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:1:	4:3:1:1:	4:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|O<2>,4|H<1>}	107.0010	0.000	1	107.0010	0.000	1	106.4265	0.660	2	106.4265	0.660	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:1:	4:3:2:1:	4:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]CH)	C[6](O[6]C[6,6])(C[6]O[6]O)(CC[6a]HO)(H){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	O[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]CH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:1:	4:4:2:1:	4:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H)	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](O[6]C[6,6])(C[6]C[6]H)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:1:	4:4:4:1:	4:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	C[6](O[6]C[5,6])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	107.4610	1.042	2	107.4610	1.086	2	107.4610	1.086	2	107.4610	1.086	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:1:	4:4:4:2:	4:4:	O[6]-2:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](O[6]C[6,6])(C[6]C[6]O)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.9930	1.541	2	107.9930	2.376	2	107.9930	2.376	2	107.9930	2.376	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:2:	4:1:1:1:	4:4:	O[6]-2:C[6]-3:C-4:C-2:	C[6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC)	C(C[6]C[6]O[6]C)(F)3	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]C)(F)3	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC){1|H<1>,4|C<3>}	102.6940	0.000	1	102.6940	0.000	1	102.6940	0.000	1	103.4953	0.658	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:2:	4:1:1:1:	4:4:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]O)(F)3	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO){1|Br<1>,1|H<1>,3|C<3>}	104.3160	0.000	1	103.8960	0.353	2	103.8960	0.353	2	103.4953	0.658	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:2:	4:1:1:1:	4:4:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]O)(F)3	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<3>}	103.4760	0.000	1	103.8960	0.353	2	103.8960	0.353	2	103.4953	0.658	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:2:	4:4:1:1:	4:4:	O[6]-2:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH)	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH){1|Cl<1>,1|H<1>,3|C<4>}	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	O[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6,6]-3:C[6]-4:	C[6](O[6]N[6,6])(C[6]N[6]O)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](O[6]N[6,6])(C[6]N[6]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	O[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	107.4855	5.516	2	107.4855	30.428	2	107.4855	30.428	2	107.4855	30.428	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	4:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]S)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CC)	C[6](O[6]C[6,6])(C[6]C[6]S)(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CC){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	106.9643	4.581	4	106.9643	20.984	4	106.8649	9.741	8	106.8649	9.741	8	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:3:4:4:	4:1:1:1:	4:4:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CC)	C[6](O[6]C[6,6])(C[6]N[6]O)(CH3)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CC){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	106.7655	1.311	4	106.7655	1.718	4	106.8649	9.741	8	106.8649	9.741	8	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:2:2:	3:4:1:1:	4:4:	O[6]-2:C-4:O[6]-2:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN)	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	108.0700	0.000	1	106.8297	1.155	3	106.8297	1.155	3	107.1135	0.746	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:2:2:	3:4:1:1:	4:4:	O[6]-2:C-4:O[6]-2:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN)	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	106.2095	0.039	2	106.8297	1.155	3	106.8297	1.155	3	107.1135	0.746	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:2:2:	3:4:1:1:	4:4:	O[6]-2:C-4:O[6]-2:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN)	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	107.3973	0.685	3	107.3973	0.469	3	107.3973	0.469	3	107.1135	0.746	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:4:1:	4:4:4:4:	5:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	In[6,6]-5:C[6]-4:	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	O[6](In[6,6]O[6]3O)(C[6]C[6]CH)	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H){2|C<4>,4|O<2>}	C(C[6]C[6]O[6]H)(CH3)3	O[6](In[6,6]O[6]3O)(C[6]C[6]CH){1|C<4>,2|H<1>,2|P<4>}	108.9910	0.120	2	108.9910	0.014	2	108.9910	0.014	2	108.9910	0.014	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:4:1:	4:4:4:4:	6:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	In[3x6]-6:C[6]-4:	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	O[6](In[3x6]O[6]5)(C[6]C[6]CH)	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H){2|C<4>,5|O<2>}	C(C[6]C[6]O[6]H)(CH3)3	O[6](In[3x6]O[6]5)(C[6]C[6]CH){2|C<4>,2|H<1>,3|P<4>}	110.8320	1.091	3	110.8320	1.190	3	110.8320	1.190	3	110.8320	1.190	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	3:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:	C[6](O[6]N[5a,6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)	C[6](O[6]N[5a,6])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC){1|C<4>,2|H<1>,2|N<2>}	105.4055	4.644	2	105.4055	21.563	2	105.4055	21.563	2	105.4055	21.563	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	4:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	Ge[5,6]-4:C[6]-4:	C[6](O[6]Ge[5,6])(C[6]P[6]HH)(CF3)2	C(C[6]C[6]O[6]C)(F)3	O[6](Ge[5,6]N[6]O[5]P[5])(C[6]C[6]CC)	C[6](O[6]Ge[5,6])(C[6]P[6]HH)(CF3)2{1|N<2>,1|O<2>,1|P<3>,2|C<4>}	C(C[6]C[6]O[6]C)(F)3	O[6](Ge[5,6]N[6]O[5]P[5])(C[6]C[6]CC){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	106.1890	2.548	2	106.1890	6.494	2	106.1890	6.494	2	107.2397	12.224	16	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	4:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[4,5,6]-4:C[6]-4:	C[6](O[6]C[4,5,6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[4,5,6]C[4,5]C[4,6]C[5])(C[6]C[6]CC)	C[6](O[6]C[4,5,6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[4,5,6]C[4,5]C[4,6]C[5])(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	107.6555	3.721	6	107.6555	13.843	6	107.6555	13.843	6	107.2397	12.224	16	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	4:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[4,6,6]-4:C[6]-4:	C[6](O[6]C[4,6,6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]CC)	C[6](O[6]C[4,6,6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	107.5177	3.760	6	107.5177	14.137	6	107.5177	14.137	6	107.2397	12.224	16	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	4:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[6]-4:	C[6](O[6]C[5,5,3x6])(C[6]C[6]HO)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[5,5,3x6]C[5,3x6]C[5,6,6]O[5,5])(C[6]C[6]CC)	C[6](O[6]C[5,5,3x6])(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[5,5,3x6]C[5,3x6]C[5,6,6]O[5,5])(C[6]C[6]CC){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	106.2090	5.579	2	106.2090	31.126	2	106.2090	31.126	2	107.2397	12.224	16	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	5:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	In[5,6,6]-5:C[6]-4:	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2	C(C[6]C[6]O[6]C)(F)3	O[6](In[5,6,6]N[5,6]2O[6]C)(C[6]C[6]CC)	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2{1|O<2>,2|C<4>,2|N<3>}	C(C[6]C[6]O[6]C)(F)3	O[6](In[5,6,6]N[5,6]2O[6]C)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	108.5983	0.292	3	108.5983	0.085	3	108.1949	0.435	7	108.1949	0.435	7	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	5:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	In[5,6,6]-5:C[6]-4:	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2	C(C[6]C[6]O[6]C)(F)3	O[6](In[5,6,6]N[5,6]2O[6]Cl)(C[6]C[6]CC)	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2{1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]O[6]C)(F)3	O[6](In[5,6,6]N[5,6]2O[6]Cl)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	107.8922	0.727	4	107.8922	0.529	4	108.1949	0.435	7	108.1949	0.435	7	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	2:4:4:4:	4:1:1:1:	6:4:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	Nb[4x6]-6:C[6]-4:	C[6](O[6]Nb[4x6])(C[6]C[6]CH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](Nb[4x6]N[5,6,6]3C[6]O)(C[6]C[6]CC)	C[6](O[6]Nb[4x6])(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|N<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](Nb[4x6]N[5,6,6]3C[6]O)(C[6]C[6]CC){1|H<1>,2|C<4>,3|N<3>,4|C<3>}	107.2255	1.982	2	107.2255	3.928	2	107.2255	3.928	2	107.2255	3.928	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:2:4:	4:1:1:1:	4:4:	C[5a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5a]C[5a]2)(O[6]C[6])2(CBrHH)	C(C[6]C[5a]O[6]2)(Br)(H)2	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH)	C[6](C[5a]C[5a]2)(O[6]C[6])2(CBrHH){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[5a]O[6]2)(Br)(H)2	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	103.9860	3.497	2	103.9860	12.231	2	103.9860	12.231	2	105.2297	2.653	16	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:2:4:	4:1:1:1:	4:4:	C[5a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5a]C[5a]2)(O[6]C[6])2(CH3)	C(C[6]C[5a]O[6]2)(H)3	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH)	C[6](C[5a]C[5a]2)(O[6]C[6])2(CH3){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[5a]O[6]2)(H)3	O[6](C[6]C[5a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	106.1813	0.767	4	106.1813	0.588	4	106.1813	0.588	4	105.2297	2.653	16	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CF3)	C(C[6]C[6a]O[6]2)(F)3	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CF3){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6a]O[6]2)(F)3	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	103.4705	0.603	4	103.4705	0.364	4	103.4705	0.364	4	105.2297	2.653	16	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CH3)	C(C[6]C[6a]O[6]2)(H)3	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]O[6]2)(H)3	O[6](C[6]C[6a]O[6]C)(C[6]C[6,6]HH){2|C<3>,3|C<4>}	106.1225	0.096	4	106.1225	0.009	4	106.1827	0.033	6	105.2297	2.653	16	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(CH3)	C(C[6]C[6a]O[6]2)(H)3	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6a]O[6]2)(H)3	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>}	106.3030	0.304	2	106.3030	0.092	2	106.1827	0.033	6	105.2297	2.653	16	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:2:4:	4:2:1:1:	4:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	C(C[6]C[6a]O[6]2)(OC)(H)2	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]O[6]2)(OC)(H)2	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	105.8975	2.552	14	105.8975	6.511	14	105.6943	5.851	20	105.6943	5.851	20	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:2:4:	4:2:1:1:	4:4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	C(C[6]C[6a]O[6]2)(OH)(H)2	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]O[6]2)(OH)(H)2	O[6](C[6]C[6a]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>}	105.2200	2.218	6	105.2200	4.920	6	105.6943	5.851	20	105.6943	5.851	20	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	3:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	O[6](N[5,6]C[5,6]O[5])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C(C[6]C[6,6a]O[6]H)(H)3	O[6](N[5,6]C[5,6]O[5])(C[6]C[6,6a]CH){1|H<1>,2|C<3>,2|C<4>}	112.6010	0.575	3	112.6010	0.331	3	112.6010	0.331	3	111.1818	9.001	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	105.8720	0.000	1	109.0530	20.238	2	109.0530	20.238	2	111.1818	9.001	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](N[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](N[6]C[6a]C[6])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	112.2340	0.000	1	109.0530	20.238	2	109.0530	20.238	2	111.1818	9.001	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:P[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H)	C(C[6]C[6,6a]O[6]H)(Cl)3	O[6](C[6]C[6,6a]CH)(P[6]O[6]OS)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H){1|H<1>,1|S<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]O[6]H)(Cl)3	O[6](C[6]C[6,6a]CH)(P[6]O[6]OS){2|C<3>}	109.3130	0.000	1	109.3130	0.000	1	109.3130	0.000	1	107.2742	3.698	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C(C[6]C[6,6a]O[6]H)(F)3	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	C(C[6]C[6,6a]O[6]H)(F)3	O[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	107.2742	3.698	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]O[6]H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	106.4800	0.000	1	105.6795	1.282	2	105.6795	1.282	2	107.2742	3.698	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]O[6]H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	104.8790	0.000	1	105.6795	1.282	2	105.6795	1.282	2	107.2742	3.698	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]O[6]H)(H)3	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH){2|C<3>,2|H<1>}	107.3267	3.409	3	107.3267	11.623	3	106.8805	8.545	4	107.2742	3.698	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C(C[6]C[6,6a]O[6]H)(H)3	O[6](C[6]C[6,6a]CH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]O[6]H)(H)3	O[6](C[6]C[6,6a]CH)(C[6]C[6]HH){2|C<3>,2|H<1>}	105.5420	0.000	1	105.5420	0.000	1	106.8805	8.545	4	107.2742	3.698	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]N[5,6]O)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)	C[6](C[6]N[5,6]O)(O[6]C[6,6])(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.1740	0.000	1	108.1740	0.000	1	108.1740	0.000	1	107.2742	3.698	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>}	106.2790	0.000	1	106.2790	0.000	1	106.7940	0.530	2	107.2742	3.698	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	107.3090	0.000	1	107.3090	0.000	1	106.7940	0.530	2	107.2742	3.698	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	P[6]-4:C[6]-4:	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](P[6]C[6a]C[6]O)(C[6]C[6]CH)	C[6](C[6]N[6]O)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](P[6]C[6a]C[6]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	107.2742	3.698	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:1:1:1:	4:4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H)	C(C[6]N[6]O[6]H)(H)3	O[6](C[6]C[5,6]HH)(C[6]N[6]CH)	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H){2|H<1>,3|C<4>}	C(C[6]N[6]O[6]H)(H)3	O[6](C[6]C[5,6]HH)(C[6]N[6]CH){2|C<4>,2|H<1>}	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	107.2742	3.698	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:2:1:1:	4:3:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(N[6]C[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	104.7890	0.000	1	104.7890	0.000	1	104.7890	0.000	1	104.7890	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:2:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[3,6]HH)(C[6]C[6]CH)	C[6](C[6]C[3,6]C)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[3,6]HH)(C[6]C[6]CH){1|C<3>,1|H<1>,2|C<4>}	112.1060	0.000	1	112.1060	0.000	1	109.0517	3.769	6	108.8784	3.351	7	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:2:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6]C[5,6]HO)(C[6]C[6]CH)	C[6](C[6]C[5,6]O)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6]C[5,6]HO)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.5270	0.000	1	107.5270	0.000	1	109.0517	3.769	6	108.8784	3.351	7	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:2:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5a,6]HO)(C[6]C[6]CH)	C[6](C[6]C[5a,6]O)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5a,6]HO)(C[6]C[6]CH){1|C<3>,1|N<2>,1|O<1>}	107.5060	0.000	1	107.5060	0.000	1	109.0517	3.769	6	108.8784	3.351	7	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:2:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O[6](C[6]C[6]CH)2{1|C<3>,1|C<4>,2|H<1>}	110.8280	0.000	1	110.8280	0.000	1	109.0517	3.769	6	108.8784	3.351	7	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:2:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	108.3920	0.000	1	108.3920	0.000	1	109.0517	3.769	6	108.8784	3.351	7	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:2:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]O)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.9510	0.000	1	107.9510	0.000	1	109.0517	3.769	6	108.8784	3.351	7	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:2:1:1:	4:4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H)	C(C[6]N[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]N[6]CH)	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H){2|H<1>,3|C<4>}	C(C[6]N[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]N[6]CH){2|C<4>,2|H<1>}	107.8390	0.000	1	107.8390	0.000	1	107.8390	0.000	1	108.8784	3.351	7	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	4:3:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H)	C(C[6]C[6,6a]O[6]H)(COO)(H)2	O[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]H)(COO)(H)2	O[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6]){1|O<1>,4|C<3>}	103.8040	0.000	1	103.8040	0.000	1	103.8040	0.000	1	103.8040	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	4:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	C(C[6]C[5a,6]O[6]H)(COO)(H)2	O[6](C[6]C[5a,6]CH)(C[6]C[6]2H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]O[6]H)(COO)(H)2	O[6](C[6]C[5a,6]CH)(C[6]C[6]2H){2|C<3>,2|C<4>,3|H<1>}	106.4820	0.000	2	106.4820	0.000	2	105.9800	0.228	6	108.0379	7.885	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	4:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	C(C[6]C[5a,6]O[6]H)(COO)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]O[6]H)(COO)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH){2|H<1>,4|C<3>}	105.4200	0.000	2	105.7290	0.127	4	105.9800	0.228	6	108.0379	7.885	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	4:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	C(C[6]C[5a,6]O[6]H)(COO)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[5a,6]O[6]H)(COO)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH){2|H<1>,4|C<3>}	106.0380	0.000	2	105.7290	0.127	4	105.9800	0.228	6	108.0379	7.885	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(H)2	O[6](C[6]C[6]CH)2{1|C<3>,1|O<2>,2|H<1>}	111.4070	0.000	2	111.4070	0.000	2	109.8137	9.439	4	108.0379	7.885	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2{1|C<3>,1|N<3>,2|H<1>}	108.2205	4.262	2	108.2205	18.162	2	109.8137	9.439	4	108.0379	7.885	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:S-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]O)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(SC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>}	108.0620	0.375	2	108.0620	0.140	2	108.0620	0.140	2	108.0379	7.885	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:1:1:	4:4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H)	C(C[6]N[6]O[6]H)(CCO)(H)2	O[6](C[6]C[6,6a]HH)(C[6]N[6]CH)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]N[6]O[6]H)(CCO)(H)2	O[6](C[6]C[6,6a]HH)(C[6]N[6]CH){1|S<4>,2|C<3>}	113.2340	0.000	1	113.2340	0.000	1	113.2340	0.000	1	108.0379	7.885	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:3:4:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CN[5]O)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CN[5]O)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<3>,1|C<4>}	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	4:2:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6,6]O[6]H)(H)2	O[6](C[6]C[6,6]CH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(O[6]O[6])(CC[6]HH)(H){5|C<4>}	C(C[6]C[5,6]C[6]H)(C[6]C[6,6]O[6]H)(H)2	O[6](C[6]C[6,6]CH)(O[6]C[6]){1|C<4>,1|H<1>,2|C<3>}	111.5920	0.000	1	111.5920	0.000	1	111.5920	0.000	1	111.0540	0.233	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	4:2:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	O[6](C[6]C[6]CH)(O[6]C[6])	C[6](C[6]C[6]C)(O[6]O[6])(CC[6]HH)(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	O[6](C[6]C[6]CH)(O[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	110.8747	0.395	3	110.8747	0.156	3	110.8747	0.156	3	111.0540	0.233	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	4:4:	C[6,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6]O[6]H)(CH3)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6]C[6,6]O[6]H)(CH3)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	111.1478	11.665	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]O)(O[6]C[6])(CC[3]HH)(H){2|C<4>,3|H<1>}	C(C[3]C[3]O[3]C)(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,1|O<1>,2|H<1>}	114.4770	0.000	1	114.4770	0.000	1	114.4770	0.000	1	111.1478	11.665	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<3>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>}	106.6420	0.000	1	109.5785	17.246	2	110.8187	13.237	3	111.1478	11.665	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.5150	0.000	1	109.5785	17.246	2	110.8187	13.237	3	111.1478	11.665	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>}	113.2990	0.000	1	113.2990	0.000	1	110.8187	13.237	3	111.1478	11.665	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:1:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CH){1|O<1>,1|O<2>,4|C<3>}	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	111.1478	11.665	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:2:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]O)(O[6]C[6])(CC[5]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|O<1>}	109.7660	0.000	1	109.7660	0.000	1	109.7660	0.000	1	109.7660	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:4:1:	4:4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(CCCH)(H)	C(C[6]C[5a,6]O[6]H)(CH3)2(H)	O[6](C[6]C[5a,6]CH)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C(C[6]C[5a,6]O[6]H)(CH3)2(H)	O[6](C[6]C[5a,6]CH)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>}	107.7800	0.223	2	107.7800	0.050	2	107.7800	0.050	2	107.3626	0.770	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:4:1:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	106.4580	0.000	1	106.4580	0.000	1	106.4580	0.000	1	107.3626	0.770	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:4:1:	4:4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H)	C(C[6]N[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]HH)(C[6]N[6]CH)	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]N[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]HH)(C[6]N[6]CH){1|H<1>,3|C<4>}	107.3975	1.364	2	107.3975	1.861	2	107.3975	1.861	2	107.3626	0.770	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:1:	4:4:4:2:	4:4:	C[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,2|C<3>}	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	111.1230	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:2:	4:1:1:1:	4:4:	N[3,6]-3:O[6]-2:C-4:C-2:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:C[6]-4:	C[6](N[3,6]C[3,6]C[3])(O[6]C[6])(CCl3)(CN)	C(C[6]N[3,6]O[6]C)(Cl)3	O[6](C[6]N[3,6]CC)(C[6]C[6]HH)	C[6](N[3,6]C[3,6]C[3])(O[6]C[6])(CCl3)(CN){1|C<3>,1|C<4>,4|H<1>}	C(C[6]N[3,6]O[6]C)(Cl)3	O[6](C[6]N[3,6]CC)(C[6]C[6]HH){2|C<4>,2|H<1>}	104.3565	0.446	2	104.3565	0.199	2	104.3565	0.199	2	104.5977	0.274	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:2:	4:1:1:1:	4:4:	N[6]-3:O[6]-2:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC)	C(C[6]N[6]O[6]N)(H)3	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]CN)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC){1|C<4>,3|C<3>}	C(C[6]N[6]O[6]N)(H)3	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]CN){1|S<4>,4|C<3>}	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	104.5977	0.274	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:2:	4:4:1:1:	4:4:	C[6]-3:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(OH)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CO)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6]O)(H)2	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]CO){1|O<1>,1|O<2>,4|C<3>}	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:3:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO)	C(C[6]C[6]O[6]C)(H)3	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	105.7270	0.000	1	105.7270	0.000	1	105.7270	0.000	1	105.7270	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:3:	4:1:1:1:	4:2:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[6])	C[6](C[6]C[6]H)(O[6]O[6])(CH3)(COO){2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[6]){1|C<3>,3|H<1>}	104.0200	0.000	1	104.0200	0.000	1	104.0200	0.000	1	104.0200	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:3:	4:4:1:1:	4:4:	C[6]-3:O[6]-2:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)(COO)	C(C[6]C[6]O[6]C)(CH3)(H)2	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)(COO){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(CH3)(H)2	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC){1|O<1>,4|C<3>}	104.6630	0.000	1	104.6630	0.000	1	104.6630	0.000	1	104.6630	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:	C[6](C[6]C[6,6]H)(O[6]N[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](N[6]C[6,6]O)(C[6]C[6]CC)	C[6](C[6]C[6,6]H)(O[6]N[6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](N[6]C[6,6]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|H<1>}	106.3760	5.064	2	106.3760	25.647	2	107.1570	22.546	4	107.1570	22.546	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:	C[6](C[6]N[6]O)(O[6]N[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]N[6]O)(O[6]N[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	107.9380	6.289	2	107.9380	39.552	2	107.1570	22.546	4	107.1570	22.546	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6]C[5,6]C)(O[6]O[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[5,6])	C[6](C[6]C[5,6]C)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>}	108.2829	15.327	2	108.2829	234.927	2	106.1544	49.214	8	106.1544	49.214	8	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6]C[6,6]H)(O[6]O[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[3x6])	C[6](C[6]C[6,6]H)(O[6]O[6])(CCHH)(CH3){2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[3x6]){1|C<3>,1|H<1>,2|C<4>}	102.3020	0.000	2	102.3020	0.000	2	106.1544	49.214	8	106.1544	49.214	8	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6]C[6,6]H)(O[6]O[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6]C[6,6]H)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[6,6]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	107.0162	4.756	4	107.0162	22.618	4	106.1544	49.214	8	106.1544	49.214	8	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:3:	C[5a,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]N[6])(CH3)2	C(C[6]C[5a,6]O[6]C)(H)3	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(O[6]N[6])(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]O[6]C)(H)3	O[6](C[6]C[5a,6]CC)(N[6]C[6a]C[6]){1|H<1>,1|N<3>,4|C<3>}	107.1282	4.926	4	107.1282	24.267	4	107.1282	24.267	4	107.2372	20.698	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:	C[6](C[6]C[6]H)(O[6]N[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(N[6]C[6]C)	C[6](C[6]C[6]H)(O[6]N[6])(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(N[6]C[6]C){1|C<3>,1|O<2>,2|H<1>}	107.4550	5.527	2	107.4550	30.545	2	107.4550	30.545	2	107.2372	20.698	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,5,6])(CH3)2	C(C[6]C[6,6a]O[6]C)(H)3	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,5,6])(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6a]O[6]C)(H)3	O[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6a]CC){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	106.4400	5.030	4	106.4400	25.302	4	106.4400	25.302	4	107.2760	14.557	40	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)2	C(C[6]C[6,6a]O[6]C)(H)3	O[6](C[6]C[6,6a]CC)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]O[6]C)(H)3	O[6](C[6]C[6,6a]CC)(C[6]N[6]CC){1|O<1>,2|C<3>}	107.6617	6.021	4	107.6617	36.249	4	107.6617	36.249	4	107.2760	14.557	40	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]C[6]CC)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]C[6]CC){1|C<3>,1|C<4>,2|H<1>}	106.8186	2.674	14	106.8186	7.150	14	106.5458	6.876	18	107.2760	14.557	40	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2{2|C<3>,2|H<1>}	105.8155	1.784	2	105.5913	6.418	4	106.5458	6.876	18	107.2760	14.557	40	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:4:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2{2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2{2|C<3>,2|H<1>}	105.3670	3.984	2	105.5913	6.418	4	106.5458	6.876	18	107.2760	14.557	40	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:4:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](N[6]C[5,6]C)(O[6]C[6])(CH3)2	C(C[6]N[6]O[6]C)(H)3	O[6](C[6]C[5,6]CH)(C[6]N[6]CC)	C[6](N[6]C[5,6]C)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]N[6]O[6]C)(H)3	O[6](C[6]C[5,6]CH)(C[6]N[6]CC){4|C<4>}	105.8975	7.038	2	105.8975	49.531	2	108.1332	19.057	12	107.2760	14.557	40	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:4:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](N[6]C[6,6a]H)(O[6]C[6])(CH3)2	C(C[6]N[6]O[6]C)(H)3	O[6](C[6]C[6,6a]HH)(C[6]N[6]CC)	C[6](N[6]C[6,6a]H)(O[6]C[6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]N[6]O[6]C)(H)3	O[6](C[6]C[6,6a]HH)(C[6]N[6]CC){1|H<1>,2|C<3>}	107.9360	3.301	4	107.9360	10.895	4	108.1332	19.057	12	107.2760	14.557	40	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:4:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](N[6]C[6,6a]O)(O[6]C[6])(CH3)2	C(C[6]N[6]O[6]C)(H)3	O[6](C[6]C[6,6a]CC)(C[6]N[6]CC)	C[6](N[6]C[6,6a]O)(O[6]C[6])(CH3)2{2|C<3>,2|C<4>}	C(C[6]N[6]O[6]C)(H)3	O[6](C[6]C[6,6a]CC)(C[6]N[6]CC){1|O<1>,2|C<3>}	109.5828	5.812	4	109.5828	33.778	4	108.1332	19.057	12	107.2760	14.557	40	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:4:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]N[6]O[6]C)(H)3	O[6](C[6]C[6]CH)(C[6]N[6]CC)	C[6](N[6]C[6]C)(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]N[6]O[6]C)(H)3	O[6](C[6]C[6]CH)(C[6]N[6]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	107.8640	2.715	2	107.8640	7.373	2	108.1332	19.057	12	107.2760	14.557	40	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:4:	O[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](O[6]C[6]Fe)(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC)	C[6](O[6]C[6]Fe)(O[6]C[6])(CH3)2{1|Fe<5>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	O[6](C[6]C[6]HH)(C[6]O[6]CC){1|Fe<5>,3|C<4>}	109.6045	4.888	2	109.6045	23.895	2	109.6045	23.895	2	107.2760	14.557	40	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:1:1:1:	5:4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	Nb[6,6]-5:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2	C(C[6]C[6,6a]O[6]C)(F)3	O[6](Nb[6,6]N[6,6]O[6]CC)(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]O[6]C)(F)3	O[6](Nb[6,6]N[6,6]O[6]CC)(C[6]C[6,6a]CC){1|C<4>,3|C<3>}	105.9852	1.562	4	105.9852	2.440	4	105.9852	2.440	4	105.9852	2.440	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:2:4:4:	4:4:1:1:	4:2:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6]C[6,6]H)(O[6]O[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	O[6](C[6]C[6]CC)(O[6]C[3x6])	C[6](C[6]C[6,6]H)(O[6]O[6])(CCHH)(CH3){2|C<4>}	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	O[6](C[6]C[6]CC)(O[6]C[3x6]){1|C<3>,1|H<1>,2|C<4>}	109.8280	0.000	2	109.8280	0.000	2	109.8280	0.000	2	109.8280	0.000	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:4:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	102.7550	0.574	2	102.6187	0.221	3	102.6187	0.221	3	103.4373	2.827	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:4:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>}	102.3460	0.000	1	102.6187	0.221	3	102.6187	0.221	3	103.4373	2.827	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:3:2:4:	4:1:1:1:	4:4:	N[6]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6a]N[6]O[6])(H)3	O[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]CH)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C(C[6]C[6a]N[6]O[6])(H)3	O[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	105.8930	0.000	1	105.8930	0.000	1	105.8930	0.000	1	103.4373	2.827	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:3:2:4:	4:4:1:1:	4:4:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C-4:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF)	C(C[6]C[6,6a]C[6a]O[6])(CCHH)(F)2	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]O[6])(CCHH)(F)2	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]CN){1|S<4>,4|C<3>}	102.6680	0.000	1	102.6680	0.000	1	102.6680	0.000	1	102.6680	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:1:	3:4:1:1:	4:4:	C[6]-3:C-4:O[6]-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]H)(CC[6a]HH)(O[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)2{1|C<3>,1|O<2>,2|H<1>}	107.1460	0.000	1	107.1460	0.000	1	107.1460	0.000	1	107.1460	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:1:	4:3:2:1:	4:4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]CH)	C[6](C[6]N[5,6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.3580	0.000	1	110.3580	0.000	1	108.9535	3.945	2	108.9535	3.945	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:1:	4:3:2:1:	4:4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]N[6]O)(CC[6a]HO)(O[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>}	107.5490	0.000	1	107.5490	0.000	1	108.9535	3.945	2	108.9535	3.945	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:1:	4:3:3:1:	4:4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]H)(CC[6a]2H)(O[6]C[6])(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(H)	O[6](C[6]C[6]CH)2{1|C<3>,3|H<1>}	107.0670	0.000	1	107.0670	0.000	1	107.0670	0.000	1	107.0670	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:1:	4:3:4:1:	4:2:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:O[6]-2:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	O[6](C[6]C[6]CH)(O[6]C[6])	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]O[6])(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	O[6](C[6]C[6]CH)(O[6]C[6]){1|C<4>,1|H<1>,2|C<3>}	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:1:	4:3:4:1:	4:4:	C[6]-3:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]O[6]O)(CC[6a]CH)(O[6]C[6])(H){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|O<1>,2|O<2>}	108.6775	0.107	2	108.6775	0.011	2	108.6775	0.011	2	108.6775	0.011	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:2:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]O[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(O[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]O[6])(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(O[6]C[6]){1|H<1>,2|C<3>,4|C<4>}	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(F)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	107.6610	0.410	2	107.6610	0.168	2	107.6610	0.168	2	107.8166	12.969	8	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<3>,5|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]H){1|C<4>,2|H<1>,5|C<3>}	109.0840	0.000	1	109.0840	0.000	1	110.5655	1.025	4	107.8166	12.969	8	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.7470	0.000	1	111.0593	0.074	3	110.5655	1.025	4	107.8166	12.969	8	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	111.2155	0.037	2	111.0593	0.074	3	110.5655	1.025	4	107.8166	12.969	8	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	C(C[6]N[5a]C[6]O[6])(H)3	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]N[5a]C[6]O[6])(H)3	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	102.1680	0.000	1	102.4745	0.188	2	102.4745	0.188	2	107.8166	12.969	8	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:4:	4:1:1:1:	4:4:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	C(C[6]N[5a]C[6]O[6])(H)3	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C(C[6]N[5a]C[6]O[6])(H)3	O[6](C[6]N[5a]C[6]C)(C[6]N[5a]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	102.7810	0.000	1	102.4745	0.188	2	102.4745	0.188	2	107.8166	12.969	8	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:2:4:	4:4:1:1:	4:2:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:S-4:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]O[6])(CHHS)	C(C[6]C[6a]C[6]O[6])(SC[6a]OO)(H)2	O[6](C[6]C[6a]C[6]C)(O[6]C[6,6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]O[6])(CHHS){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]O[6])(SC[6a]OO)(H)2	O[6](C[6]C[6a]C[6]C)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	3:4:4:2:	4:3:1:1:	4:4:	C[6a]-3:C[6]-4:C-4:O[6]-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6])	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.1900	0.000	1	110.1900	0.000	1	110.1900	0.000	1	110.1900	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:2:4:	4:1:1:1:	4:4:	C[5]-4:O[6]-2:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5]C[5]O[5]H)(O[6]C[6])2(CH3)	C(C[6]C[5]O[6]2)(H)3	O[6](C[6]C[5]O[6]C)(C[6]C[6]HH)	C[6](C[5]C[5]O[5]H)(O[6]C[6])2(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[5]O[6]2)(H)3	O[6](C[6]C[5]O[6]C)(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<4>}	112.6485	0.378	4	112.6485	0.143	4	112.6485	0.143	4	110.1802	14.716	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:2:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(CH3)	C(C[6]C[6]O[6]2)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]C)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(CH3){4|C<4>,5|H<1>}	C(C[6]C[6]O[6]2)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]C){1|Cr<9>,2|H<1>,2|O<2>,4|C<4>}	105.3870	0.000	1	105.3870	0.000	1	105.3870	0.000	1	110.1802	14.716	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:2:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(CH3)	C(C[6]C[6]O[6]2)(H)3	O[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)	C[6](C[6]C[6]2Cr)(O[6]C[6,6])(O[6]C[6])(CH3){4|C<4>,5|H<1>}	C(C[6]C[6]O[6]2)(H)3	O[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH){1|Cr<9>,1|H<1>,1|O<2>,3|C<4>}	105.1000	0.000	1	105.1000	0.000	1	105.1000	0.000	1	110.1802	14.716	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:2:4:	4:4:1:1:	4:4:	C[4]-4:O[6]-2:O[6]-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[4]C[4,6]C[4]O)(O[6]C[6])2(CCHH)	C(C[6]C[4]O[6]2)(CCHH)(H)2	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH)	C[6](C[4]C[4,6]C[4]O)(O[6]C[6])2(CCHH){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[4]O[6]2)(CCHH)(H)2	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<4>}	111.4595	0.433	2	111.4595	0.188	2	110.7197	4.269	6	110.7197	4.269	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:2:4:	4:4:1:1:	4:4:	C[4]-4:O[6]-2:O[6]-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[4]C[4,6a]C[4]O)(O[6]C[6])2(CCHH)	C(C[6]C[4]O[6]2)(CCHH)(H)2	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH)	C[6](C[4]C[4,6a]C[4]O)(O[6]C[6])2(CCHH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[4]O[6]2)(CCHH)(H)2	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.3498	2.551	4	110.3498	6.505	4	110.7197	4.269	6	110.7197	4.269	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:3:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(N[6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(N[6]C[6]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[3,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(O[6]C[6])(CH3)(H)	C(C[6]C[3,6]O[6]H)(H)3	O[6](C[6]C[3,6]CH)(C[6]C[6]HO)	C[6](C[3,6]C[3,6]O[3]C)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[3,6]O[6]H)(H)3	O[6](C[6]C[3,6]CH)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	106.0835	0.425	2	106.0835	0.181	2	106.0835	0.181	2	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[3x6]O[6]H)(H)3	O[6](C[6]C[3x6]CH)(C[6]C[6,6]HH)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|N<3>,4|H<1>}	C(C[6]C[3x6]O[6]H)(H)3	O[6](C[6]C[3x6]CH)(C[6]C[6,6]HH){1|C<3>,2|C<4>,2|H<1>}	105.8060	0.000	1	108.3305	12.746	2	108.3305	12.746	2	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[3x6]O[6]H)(H)3	O[6](C[6]C[3x6]CH)(C[6]C[6,6]HH)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|N<3>,4|H<1>}	C(C[6]C[3x6]O[6]H)(H)3	O[6](C[6]C[3x6]CH)(C[6]C[6,6]HH){1|H<1>,2|C<3>,2|C<4>}	110.8550	0.000	1	108.3305	12.746	2	108.3305	12.746	2	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl)	C(C[6]C[5,6]O[6]Cl)(H)3	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]ClC)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl){2|O<2>,4|C<4>}	C(C[6]C[5,6]O[6]Cl)(H)3	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]ClC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	106.3920	0.000	1	106.3920	0.000	1	106.3920	0.000	1	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	C(C[6]C[5,6]O[6]H)(F)3	O[6](C[6]C[5,6]CH)(C[6]N[6]CC)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]O[6]H)(F)3	O[6](C[6]C[5,6]CH)(C[6]N[6]CC){4|C<4>}	103.8810	0.000	1	103.8810	0.000	1	103.6012	0.181	4	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H)	C(C[6]C[5,6]O[6]H)(F)3	O[6](C[6]C[6a]N[6]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[5,6]O[6]H)(F)3	O[6](C[6]C[6a]N[6]H)(C[6]C[5,6]CH){2|C<3>,4|C<4>}	103.5080	0.468	3	103.5080	0.219	3	103.6012	0.181	4	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(H){2|O<2>,4|C<4>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	107.3873	2.471	3	107.3873	6.106	3	107.3873	6.106	3	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[3,6]HO)(C[6]C[5,6]CH)	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[3,6]HO)(C[6]C[5,6]CH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	114.3675	0.613	2	114.3675	0.376	2	108.9958	7.725	18	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|H<1>,2|C<3>,2|C<4>}	110.3030	1.546	6	110.3030	2.390	6	108.9958	7.725	18	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]O[6]CC)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]O[6]CC){1|N<3>,2|C<4>}	103.8780	0.000	1	103.8780	0.000	1	108.9958	7.725	18	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	108.1170	0.000	1	107.5097	0.669	8	108.9958	7.725	18	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	107.4230	0.843	7	107.5097	0.669	8	108.9958	7.725	18	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]C[6]HS)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C(C[6]C[5,6]O[6]H)(H)3	O[6](C[6]C[5,6]CH)(C[6]C[6]HS){1|C<4>,1|O<2>,3|H<1>}	107.4160	0.000	1	107.4160	0.000	1	108.9958	7.725	18	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHI)(H)	C(C[6]C[5,6]O[6]H)(H)2(I)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHI)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(H)2(I)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]CH)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6,6]CH){1|H<1>,3|C<3>,3|C<4>}	106.0060	0.000	1	106.0060	0.000	1	106.0060	0.000	1	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]CH)	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(CH3)(H){1|H<1>,3|C<3>,3|C<4>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]CH){1|C<4>,1|N<3>,3|H<1>}	104.9230	0.000	1	104.9230	0.000	1	106.8542	9.478	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[5,6]O[6,6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]CH)	C[6](C[6,6]C[5,6]O[6,6]H)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]CH){1|C<4>,1|O<3>,3|H<1>}	104.7670	0.000	1	104.7670	0.000	1	106.8542	9.478	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6,6]HH){1|C<4>,2|C<3>,2|H<1>}	107.3980	0.000	1	107.3980	0.000	1	106.8542	9.478	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	106.7905	0.009	2	106.7905	0.000	2	106.8542	9.478	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CH)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CH){1|H<1>,2|C<3>,2|C<4>}	102.9030	0.358	2	102.9030	0.128	2	106.8542	9.478	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.2210	1.160	2	113.2210	1.345	2	106.8542	9.478	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	106.4775	0.291	2	106.6084	0.188	5	106.8542	9.478	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6,6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.6957	0.553	3	106.6084	0.188	5	106.8542	9.478	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Br-1:Br-1:Br-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H)	C(C[6]C[6]O[6]H)(Br)3	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(Br)3	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	105.4400	0.000	1	105.4400	0.000	1	105.4400	0.000	1	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	C(C[6]C[6]O[6]H)(Br)(H)2	O[6](C[6]B[5,5]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H){1|B<4>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(Br)(H)2	O[6](C[6]B[5,5]C[6]H)(C[6]C[6]CH){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	106.8780	0.000	1	106.8780	0.000	1	106.8780	0.000	1	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H)	C(C[6]C[6]O[6]H)(Cl)(H)2	O[6](C[6,6]C[6]3)(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H){1|S<4>,3|C<4>}	C(C[6]C[6]O[6]H)(Cl)(H)2	O[6](C[6,6]C[6]3)(C[6]C[6]CH){1|N<3>,2|C<4>,8|H<1>}	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H)	C(C[6]C[6]O[6]H)(Cl)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(Cl)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	105.7733	1.499	4	105.7733	2.247	4	106.2713	1.968	6	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C(C[6]C[6]O[6]H)(Cl)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,3|C<4>}	C(C[6]C[6]O[6]H)(Cl)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|N<3>,4|H<1>}	107.0190	0.000	1	107.0190	0.000	1	106.2713	1.968	6	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C(C[6]C[6]O[6]H)(Cl)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]O[6]H)(Cl)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,4|H<1>}	107.5160	0.000	1	107.5160	0.000	1	106.2713	1.968	6	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(F)3	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH){2|C<3>,4|C<4>}	103.0870	0.000	1	103.0870	0.000	1	105.7750	5.375	7	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(F)3	O[6](C[6]C[6a]N[6]H)(C[6]C[6]CH){1|H<1>,2|C<3>,3|C<4>}	105.5420	0.230	3	105.5420	0.053	3	105.7750	5.375	7	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(F)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	105.0415	0.347	2	105.0415	0.121	2	105.7750	5.375	7	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H)	C(C[6]C[6]O[6]H)(F)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(F)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	110.6290	0.000	1	110.6290	0.000	1	105.7750	5.375	7	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:F-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H)	C(C[6]C[6]O[6]H)(F)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(F)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.7640	0.000	1	106.7640	0.000	1	106.7640	0.000	1	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]CH){2|H<1>,3|C<3>,5|C<4>}	104.5710	0.000	1	104.1520	0.351	2	104.1520	0.351	2	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]CH){2|C<3>,3|H<1>,6|C<4>}	103.7330	0.000	1	104.1520	0.351	2	104.1520	0.351	2	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[5,6]CC)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)	C[6](C[6]C[5,6]CC)(O[6]C[5,6])(CH3)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH){1|C<3>,1|H<1>,2|C<2>,2|C<4>}	107.4740	0.000	1	107.4740	0.000	1	107.5295	6.510	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	105.6910	0.000	1	105.7625	0.010	2	107.5295	6.510	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]2C[6])(C[6]C[6]CH){4|C<4>,7|H<1>}	105.8340	0.000	1	105.7625	0.010	2	107.5295	6.510	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	105.7790	0.000	1	107.0099	7.226	7	107.5295	6.510	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|H<1>,1|N<2>,3|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	113.0390	0.000	1	107.0099	7.226	7	107.5295	6.510	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	105.7470	0.000	1	107.0099	7.226	7	107.5295	6.510	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|N<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	106.3210	0.000	1	107.0099	7.226	7	107.5295	6.510	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	106.0610	0.600	3	107.0099	7.226	7	107.5295	6.510	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<1>,1|S<4>,3|C<4>,3|H<1>}	106.5320	0.000	1	106.5320	0.000	1	107.5295	6.510	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	111.5340	0.132	2	111.5340	0.017	2	107.5295	6.510	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[5,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)	C[6](C[6]N[5,6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	107.7450	0.000	1	107.7450	0.000	1	107.5295	6.510	14	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	105.5980	0.000	1	105.5980	0.000	1	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H){2|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,3|C<4>,5|H<1>}	105.6900	0.043	6	105.6900	0.002	6	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	106.7930	0.000	1	106.7930	0.000	1	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.8450	0.000	1	106.3670	0.457	2	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	105.8890	0.000	1	106.3670	0.457	2	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	107.2040	0.000	1	107.2040	0.000	1	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	105.3440	0.000	1	105.3440	0.000	1	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6]3)(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6]3)(C[6]C[6]CH){5|H<1>,6|C<4>}	105.0170	0.000	1	105.0170	0.000	1	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	105.9490	0.000	1	105.9490	0.000	1	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,5|C<4>}	106.6540	0.000	1	106.6540	0.000	1	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH){3|C<4>,5|H<1>}	107.5150	0.000	1	107.5150	0.000	1	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	105.8180	0.590	2	105.8180	0.348	2	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6]2N[6])(C[6]C[6]CH){2|C<3>,2|C<4>,6|H<1>}	106.6920	0.000	1	106.6920	0.000	1	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	106.0870	0.000	1	106.6370	0.322	3	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){2|C<3>,3|C<4>,4|H<1>}	106.9120	0.436	2	106.6370	0.322	3	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	107.9270	0.000	1	107.9270	0.000	1	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	106.2045	0.127	2	106.2045	0.016	2	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	107.7720	0.000	1	107.7720	0.000	1	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH){1|N<3>,3|C<3>,3|H<1>}	106.9080	0.000	1	106.9080	0.000	1	106.3038	0.604	27	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5,6]HO)(C[6]C[6]CH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5,6]HO)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	106.5757	0.882	4	106.5757	0.778	4	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.4420	1.311	2	108.4420	1.719	2	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6]HH)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6]HH)(C[6]C[6]CH){1|C<3>,1|C<4>,3|H<1>}	108.5300	0.000	1	108.5300	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]CH)(C[6]C[6]CH){2|C<3>,2|H<1>}	107.4010	0.324	3	107.4010	0.105	3	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	108.0160	0.000	1	108.0160	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,5|C<4>}	112.1230	0.000	1	112.1230	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2{1|C<4>,2|C<3>,2|H<1>}	106.0290	0.000	1	106.0290	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO){2|H<1>,3|C<4>}	105.6450	0.000	1	105.6450	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	106.3990	0.000	1	106.3990	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){2|H<1>,2|O<2>,4|C<4>}	111.0180	0.000	1	111.0180	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|O<2>,2|C<4>,2|H<1>}	106.1410	0.000	1	106.1410	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	107.2947	0.694	4	107.2947	0.482	4	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5a]C[6]O)(C[6]C[6]CH){1|N<2>,1|S<2>,2|C<4>,3|H<1>}	105.4600	0.161	2	105.4600	0.026	2	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO){2|C<4>,3|H<1>}	105.6080	0.000	1	105.6340	0.001	2	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,4|H<1>}	105.6600	0.000	1	105.6340	0.001	2	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	106.4925	0.264	4	106.3179	0.226	7	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,4|H<1>}	106.0850	0.656	3	106.3179	0.226	7	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,2|H<1>}	107.4014	0.273	5	107.4014	0.074	5	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	106.2790	0.199	2	106.3709	0.058	11	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	106.3913	0.254	9	106.3709	0.058	11	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	108.3665	4.970	2	107.5507	14.348	3	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<3>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]O[6]H)(C[6]C[6]CH){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	105.9190	0.000	1	107.5507	14.348	3	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]2O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	106.2281	0.469	12	106.2281	0.220	12	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	107.2980	0.000	1	107.2980	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	106.6773	0.615	3	106.6773	0.379	3	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|N<3>,1|P<4>,2|H<1>}	107.3140	0.000	1	107.3140	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<2>,1|N<4>,2|H<1>}	107.3650	0.000	1	106.5214	0.874	14	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<4>,3|H<1>}	106.5006	1.434	5	106.5214	0.874	14	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,3|H<1>}	107.5640	0.000	1	106.5214	0.874	14	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	106.2667	0.383	7	106.5214	0.874	14	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	105.4290	0.000	1	105.4290	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HN)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	107.4970	0.140	2	107.3693	0.059	3	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HN)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	107.1140	0.000	1	107.3693	0.059	3	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	107.4200	0.000	1	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.5380	0.000	1	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	110.4240	3.705	2	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	107.3920	0.000	1	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	108.0705	1.343	2	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	106.3150	0.086	2	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	106.7600	0.000	1	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	105.1400	0.615	2	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	106.5200	0.682	3	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.6286	1.004	39	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|O<2>,2|C<4>,2|H<1>}	105.7935	1.356	2	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	107.1610	0.000	1	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	105.7353	0.016	3	106.7006	1.689	60	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HS)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	106.5118	0.598	4	106.5118	0.358	4	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2{1|C<3>,1|O<2>,2|H<1>}	107.2250	0.000	1	106.9070	0.202	2	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	106.5890	0.000	1	106.9070	0.202	2	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	106.3863	0.620	3	106.3863	0.385	3	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	106.7555	0.148	2	106.7760	0.012	3	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.8170	0.000	1	106.7760	0.012	3	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	105.6855	0.060	2	105.9320	0.184	3	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	106.4250	0.000	1	105.9320	0.184	3	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]N[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]N[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.1337	0.147	3	106.1337	0.022	3	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]CH)	C[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]CH){1|C<4>,1|N<3>,3|H<1>}	107.6610	0.000	1	107.6610	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|H<1>}	107.3160	0.245	3	107.5215	0.209	4	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|H<1>}	108.1380	0.000	1	107.5215	0.209	4	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|Al<5>,1|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2{1|N<4>,4|H<1>}	106.9140	0.818	4	107.5873	3.131	7	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2{1|N<3>,4|H<1>}	111.3370	0.000	1	107.5873	3.131	7	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)2{1|N<3>,4|H<1>}	107.0590	0.588	2	107.5873	3.131	7	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6a]C[6]O)(C[6]C[6]CH){1|N<4>,2|C<3>,4|H<1>}	107.3040	0.610	2	107.3040	0.372	2	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6,6]HH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]CH)	C[6](C[6]O[6,6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6,6]CH)(C[6]C[6]CH){1|C<4>,1|O<3>,3|H<1>}	107.5400	0.000	1	107.5400	0.000	1	106.7789	1.512	179	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:P[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(P[6]O[6]NS)	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<1>}	C(C[6]C[6]O[6]H)(H)3	O[6](C[6]C[6]CH)(P[6]O[6]NS){1|C<4>,2|H<1>}	108.1275	2.633	2	108.1275	6.930	2	108.1275	6.930	2	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	P[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](P[6]C[6]O[6]O)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	O[6](P[6]C[6]O[6]O)(C[6]C[6]CH){1|C<3>,2|C<4>,2|H<1>}	109.1010	3.770	2	109.1010	14.215	2	109.1010	14.215	2	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	S[6]-4:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](S[6]C[6,6a]NO)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](S[6]C[6,6a]NO)(C[6]C[6]CH){2|C<3>,2|H<1>}	106.4180	0.000	1	106.4180	0.000	1	107.2315	1.324	2	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	S[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	O[6](S[6]C[6a]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	O[6](S[6]C[6a]2O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	108.0450	0.000	1	108.0450	0.000	1	107.2315	1.324	2	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H)	C(C[6]C[6]O[6]H)(H)2(I)	O[6](C[6]C[5,6]HO)(C[6]C[6]CH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)2(I)	O[6](C[6]C[5,6]HO)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	108.1080	0.000	1	108.1080	0.000	1	107.8512	0.575	4	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H)	C(C[6]C[6]O[6]H)(H)2(I)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)2(I)	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|I<1>,1|N<2>,2|H<1>}	108.6640	0.000	1	108.6640	0.000	1	107.8512	0.575	4	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	C(C[6]C[6]O[6]H)(H)2(I)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)2(I)	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	106.8540	0.000	1	107.3165	0.428	2	107.8512	0.575	4	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	C(C[6]C[6]O[6]H)(H)2(I)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(H)2(I)	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	107.7790	0.000	1	107.3165	0.428	2	107.8512	0.575	4	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:O-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(H)2(O)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]H)(H)2(O)	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	110.0080	0.000	1	110.0080	0.000	1	110.0080	0.000	1	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:O-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(H)2(O)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)2(O)	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	106.5865	1.494	12	106.6192	2.060	13	106.6192	2.060	13	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:O-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(H)2(O)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(H)2(O)	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	107.0120	0.000	1	106.6192	2.060	13	106.6192	2.060	13	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O)	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O){1|O<2>,4|C<4>}	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,4|H<1>}	101.9720	0.000	1	101.9720	0.000	1	101.9720	0.000	1	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[3x6]C[6a]H)(C[6]C[6]CO)	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[3x6]C[6a]H)(C[6]C[6]CO){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	105.6920	0.000	1	105.6920	0.000	1	105.6920	0.000	1	106.8496	3.135	311	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OC)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){1|O<2>,2|H<1>,3|C<4>}	107.9870	0.000	1	107.4376	0.237	5	105.9172	2.460	16	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OC)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	107.3003	0.436	4	107.4376	0.237	5	105.9172	2.460	16	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	107.7800	0.000	1	107.7800	0.000	1	105.9172	2.460	16	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OP)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OP)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	104.9707	1.153	10	104.9707	1.330	10	105.9172	2.460	16	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|P<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OC)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.3320	0.000	1	106.8255	0.487	2	107.3654	0.933	11	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OC)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	107.3190	0.000	1	106.8255	0.487	2	107.3654	0.933	11	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HS)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]O[6]H)(OC)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	106.3430	0.000	1	106.3430	0.000	1	107.3654	0.933	11	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC[5])(H)2	O[6](C[6]C[5,6]CH)(C[6]O[6]CC)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[5,6]O[6]H)(OC[5])(H)2	O[6](C[6]C[5,6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	108.9510	0.000	1	108.9510	0.000	1	107.3654	0.933	11	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]CH){1|C<4>,1|O<2>,3|H<1>}	108.3160	0.000	1	108.3160	0.000	1	107.3654	0.933	11	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.8330	0.000	1	106.8330	0.000	1	107.3654	0.933	11	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HS)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	107.8860	0.697	2	107.8860	0.486	2	107.3654	0.933	11	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]O[6]CC)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]O[6]H)(OH)(H)2	O[6](C[6]C[5,6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	105.8940	0.000	1	105.8940	0.000	1	107.3654	0.933	11	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]N[5,5,6]O[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[5,6]O[6]H)(OC)(H)2	O[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]CH)	C[6](C[5,6]N[5,5,6]O[5]H)(O[6]C[6])(CHHO)(H){1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[5,6]O[6]H)(OC)(H)2	O[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]CH){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	107.6295	0.426	2	107.6295	0.182	2	107.3654	0.933	11	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[6,6]O[6]H)(OH)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]HS)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]O[6]H)(OH)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CN)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){4|C<4>}	C(C[6]C[6]O[6]H)(CN)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|N<3>,4|H<1>}	105.4880	0.881	2	105.4880	0.776	2	105.4880	0.776	2	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(NC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	105.5363	0.152	3	105.5363	0.023	3	105.3980	0.092	4	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NN)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(NN)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	104.9830	0.000	1	104.9830	0.000	1	105.3980	0.092	4	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[4,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.6475	0.076	2	112.6475	0.006	2	112.6475	0.006	2	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H){1|C<4>,3|C<3>}	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	105.3510	0.000	1	105.3510	0.000	1	107.7939	6.535	8	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){3|C<4>,6|H<1>}	105.2820	0.000	1	105.2820	0.000	1	107.7939	6.535	8	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	107.9030	0.000	1	107.9030	0.000	1	107.7939	6.535	8	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	105.3510	0.000	1	106.6300	3.272	2	107.7939	6.535	8	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	107.9090	0.000	1	106.6300	3.272	2	107.7939	6.535	8	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	107.5620	0.000	1	107.5620	0.000	1	107.7939	6.535	8	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[5])(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC[5])(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	111.5190	0.000	1	111.5190	0.000	1	107.7939	6.535	8	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	111.4740	0.000	1	111.4740	0.000	1	107.7939	6.535	8	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|S<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){3|C<4>,6|H<1>}	105.4387	2.274	3	105.4387	5.170	3	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	107.0100	0.560	3	107.0100	0.313	3	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.4680	0.000	1	108.4680	0.000	1	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,3|C<4>,4|H<1>}	108.2380	0.000	1	108.2380	0.000	1	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){3|C<4>,6|H<1>}	104.4647	0.473	3	104.4647	0.223	3	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	105.8060	0.000	1	105.4185	0.300	2	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){3|C<4>,6|H<1>}	105.0310	0.000	1	105.4185	0.300	2	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]2H)(C[6]C[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	106.3600	1.921	2	106.3600	3.688	2	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	106.7960	0.000	1	107.8855	2.374	2	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	108.9750	0.000	1	107.8855	2.374	2	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.5720	0.000	1	106.3710	0.081	2	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.1700	0.000	1	106.3710	0.081	2	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]CH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	107.0780	0.000	1	107.0780	0.000	1	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	106.0210	0.000	1	106.7315	1.010	2	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.4420	0.000	1	106.7315	1.010	2	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	107.0650	0.000	1	106.6795	0.297	2	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	106.2940	0.000	1	106.6795	0.297	2	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){2|C<4>,2|H<1>,2|O<2>}	107.9607	2.037	3	107.9607	4.149	3	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.4354	1.900	5	107.4354	3.609	5	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	107.0020	0.000	1	107.0020	0.000	1	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	104.0730	0.000	1	104.0730	0.000	1	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	106.3345	1.662	2	106.3345	2.764	2	106.6172	2.611	36	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	111.0273	0.596	3	111.0273	0.356	3	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5,6]HS)(C[6]C[6]CH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5,6]HS)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	102.9630	0.000	1	102.9630	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6,6]HS)(C[6]C[6]CH)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6,6]HS)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	107.4610	0.000	1	107.4610	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6,6]HO)(C[6]C[6]CH)	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6,6]HO)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	106.2725	0.359	2	106.2725	0.129	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|O<2>,2|H<1>}	107.2180	0.000	1	107.2180	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	107.2465	0.238	4	107.2465	0.057	4	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	107.4395	0.139	2	107.4395	0.019	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	109.4285	0.286	2	108.8973	0.887	3	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,4|F<1>}	107.8350	0.000	1	108.8973	0.887	3	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	107.7262	0.128	5	107.7868	0.035	6	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	108.0900	0.000	1	107.7868	0.035	6	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	107.9530	0.000	1	107.9547	0.236	6	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|F<1>,2|H<1>}	107.9748	0.625	4	107.9547	0.236	6	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	107.8760	0.000	1	107.9547	0.236	6	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Fe<10>,2|H<1>,3|C<4>}	108.1302	0.850	13	107.5620	2.584	16	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5]O[6]H)(C[6]C[6]CH){1|Mn<8>,2|H<1>,3|C<4>}	105.0997	1.963	3	107.5620	2.584	16	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	107.4430	0.160	2	107.4430	0.026	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	109.5690	0.000	1	109.5690	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.1590	0.000	1	107.1590	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	108.7840	0.000	1	108.7840	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,1|N<3>,3|H<1>}	105.4240	0.000	1	105.4240	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	107.4580	0.000	1	107.4580	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	108.5740	0.000	1	108.5740	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	111.0975	0.706	2	111.0975	0.499	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[5a]C[6]H)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	107.5160	0.000	1	107.5160	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	105.9910	1.032	2	105.9910	1.066	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]FH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]FH){1|C<4>,2|H<1>,2|O<2>}	105.0820	0.000	1	105.0820	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,1|P<4>,2|H<1>}	108.6010	0.000	1	107.6127	0.429	12	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	108.2800	0.000	1	107.6127	0.429	12	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	107.4471	0.580	10	107.6127	0.429	12	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HN)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	105.4490	0.000	1	107.5267	4.191	28	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HN)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	106.8509	2.758	9	107.5267	4.191	28	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HN)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	107.5237	0.948	10	107.5267	4.191	28	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HN)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	108.5506	1.978	8	107.5267	4.191	28	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|O<2>,2|H<1>}	107.9420	0.000	1	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	107.5610	0.000	1	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	104.3900	0.000	1	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	107.6110	0.000	1	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.7375	0.035	2	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.3490	0.081	2	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	107.6690	0.983	2	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|I<1>,1|O<2>,2|H<1>}	107.3300	0.000	1	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	108.2087	0.379	3	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.5810	1.135	10	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	108.1830	0.243	2	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.5973	1.857	88	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	104.6680	0.000	1	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|O<2>,2|C<4>,2|H<1>}	107.1877	2.158	3	106.8300	3.161	118	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<3>,1|O<2>,2|H<1>}	107.7775	0.064	2	106.8563	1.913	30	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	107.1710	0.000	1	106.8563	1.913	30	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.0540	0.612	2	106.8563	1.913	30	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	106.6493	1.325	23	106.8563	1.913	30	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	105.9595	1.558	2	106.8563	1.913	30	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	108.0180	0.000	1	108.0637	2.427	12	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)2{1|C<3>,1|O<2>,2|H<1>}	107.6130	0.000	2	108.0637	2.427	12	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	108.1689	1.809	9	108.0637	2.427	12	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]IrH)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]IrH)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	111.6055	4.834	2	111.6055	23.372	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	106.5177	2.005	6	106.5177	4.018	6	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]PdH)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]PdH)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	107.6785	0.968	2	107.6785	0.937	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.7240	0.000	1	109.2230	24.514	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	105.7220	0.000	1	109.2230	24.514	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	108.2810	0.000	1	106.1476	4.177	7	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	104.6780	2.453	3	106.1476	4.177	7	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	106.9880	0.479	2	106.1476	4.177	7	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	106.7420	0.000	1	106.1476	4.177	7	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC[6])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	107.1134	0.767	5	107.1134	0.588	5	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	107.2190	0.000	1	107.2190	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	108.0000	0.000	1	108.0000	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HN)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.0290	0.096	2	107.2444	0.293	9	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HN)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	107.3060	0.607	7	107.2444	0.293	9	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	105.7980	0.000	1	106.8152	1.606	217	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	106.6000	0.000	1	106.8152	1.606	217	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	105.8420	0.000	1	106.8152	1.606	217	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.5300	0.000	1	106.8152	1.606	217	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	106.7830	0.000	1	106.8152	1.606	217	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	105.8415	1.430	2	106.8152	1.606	217	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	106.5017	0.375	10	106.8152	1.606	217	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	107.0535	0.828	2	106.8152	1.606	217	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	106.1645	2.559	2	106.8152	1.606	217	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	107.2580	0.000	1	106.8152	1.606	217	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.8561	1.304	195	106.8152	1.606	217	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.1470	0.000	1	106.8974	1.108	13	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	106.7895	1.176	10	106.8974	1.108	13	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	107.3120	0.567	2	106.8974	1.108	13	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	107.7800	0.000	1	110.6125	16.046	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	113.4450	0.000	1	110.6125	16.046	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH){2|H<1>,2|O<2>,3|C<4>}	107.8840	0.000	1	107.8840	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.0210	0.000	1	107.0210	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.7000	0.000	1	107.7000	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	106.6211	1.656	7	106.6211	2.743	7	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OS)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OS)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	105.8260	0.000	1	106.4648	0.352	6	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OS)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OS)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.5926	0.563	5	106.4648	0.352	6	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	107.6025	0.463	2	107.6025	0.215	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	108.4360	0.000	1	108.4360	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(OSi)(H)2	O[6](C[6]C[6]CH)2{1|C<3>,1|N<3>,2|H<1>}	107.6255	2.121	2	107.6255	4.497	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<3>,1|N<3>,3|H<1>}	104.9040	0.000	1	104.9040	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|N<3>,4|H<1>}	106.4020	0.000	1	106.4020	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]N[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]N[6a]C[6]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	105.4580	0.000	1	105.4580	0.000	1	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H){3|C<4>}	C(C[6]C[6]O[6]H)(OC[6a])(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<4>}	107.0395	0.057	2	107.0395	0.003	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	106.5190	0.488	2	106.5190	0.238	2	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OH)(H)2	O[6](C[6]N[5a]C[6]H)(C[6]C[6]CH){1|S<2>,2|C<3>,4|H<1>}	105.4772	2.158	4	105.4772	4.657	4	107.0354	2.553	558	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(P[6]C[6]BO)	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(P[6]C[6]BO){1|C<4>,2|H<1>,2|O<2>}	108.3730	0.000	1	107.3420	0.838	3	107.3420	0.838	3	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:P[6]-4:	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(P[6]C[6]BO)	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	O[6](C[6]C[6]CH)(P[6]C[6]BO){1|C<4>,2|H<1>,2|O<2>}	106.8265	0.286	2	107.3420	0.838	3	107.3420	0.838	3	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SMo)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(SMo)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	112.0620	0.000	1	112.0620	0.000	1	109.1662	12.503	4	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SW)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(SW)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	112.3490	0.000	1	112.3490	0.000	1	109.1662	12.503	4	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(SC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.1270	0.720	2	106.1270	0.518	2	109.1662	12.503	4	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Se-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CSeHH)(H)	C(C[6]C[6]O[6]H)(SeC[6a])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CSeHH)(H){2|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(SeC[6a])(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	105.3600	0.000	1	105.3600	0.000	1	105.3600	0.000	1	107.0145	2.756	646	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:2:2:1:	4:4:	C[5,6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H)	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	O[6](C[6]C[5,6,6]CH)(C[6]O[6]CC)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(CHOO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C(C[6]C[5,6,6]O[6]H)(OH)(OO)(H)	O[6](C[6]C[5,6,6]CH)(C[6]O[6]CC){3|C<4>}	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(N[6]C[6]C)	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>}	103.0950	0.000	1	103.0950	0.000	1	103.0950	0.000	1	103.0950	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[5,5,6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,5,6,6]C[3,5,6]C[5,6,6]O[5,5])(O[6]C[6])(CHHN)(H)	C(C[6]C[5,5,6,6]O[6]H)(NOO)(H)2	O[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)	C[6](C[5,5,6,6]C[3,5,6]C[5,6,6]O[5,5])(O[6]C[6])(CHHN)(H){1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[5,5,6,6]O[6]H)(NOO)(H)2	O[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	106.7675	0.295	2	106.7675	0.087	2	106.7675	0.087	2	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[5,6]O[6]H)(CCH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CCHH)(H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]O[6]H)(CCH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH){2|C<4>,2|O<2>,4|H<1>}	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H)	C(C[6]C[5,6]O[6]H)(NC[6a]C)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(NC[6a]C)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	106.9983	0.418	3	106.9983	0.175	3	106.9983	0.175	3	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[5a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H)	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CN[5a]HH)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(N[5a]C[5a]N[5a])(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	107.3295	0.149	2	107.3295	0.022	2	107.3295	0.022	2	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6]O[6]H)(COO)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6]O[6]H)(COO)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	106.3210	0.000	1	106.3210	0.000	1	106.3210	0.000	1	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	O[6](C[6]C[6,6]CH)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	O[6](C[6]C[6,6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	106.4760	0.000	1	106.4760	0.000	1	106.5690	0.017	2	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	O[6](C[6]C[6,6]CH)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	O[6](C[6]C[6,6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	106.6620	0.000	1	106.6620	0.000	1	106.5690	0.017	2	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:Br-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrCH)(H)	C(C[6]C[6]O[6]H)(CC[5a]O)(Br)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CBrCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[5a]O)(Br)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	102.7880	0.247	2	102.7880	0.061	2	102.7880	0.061	2	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H)	C(C[6]C[6]O[6]H)(COO)(F)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(F)2	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:F-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H)	C(C[6]C[6]O[6]H)(CCH)(F)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(F)(H)	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	105.4610	0.000	1	105.4610	0.000	1	105.4610	0.000	1	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[3x6]-4:C[6]-4:	C[6](C[6]C[6,6]CC)(O[6]C[3x6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)	C[6](C[6]C[6,6]CC)(O[6]C[3x6])(CCHH)(H){1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH){2|H<1>,3|C<3>,5|C<4>}	105.4750	0.000	1	105.4750	0.000	1	105.4750	0.000	1	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	107.2330	0.000	1	107.2330	0.000	1	107.2330	0.000	1	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	105.8710	1.164	2	105.8710	1.355	2	105.7816	0.941	7	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	105.8300	0.000	1	105.8300	0.000	1	105.7816	0.941	7	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COS)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(COS)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	105.2060	0.000	1	105.2060	0.000	1	105.7816	0.941	7	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	104.4120	0.000	1	104.4120	0.000	1	105.7816	0.941	7	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<4>,3|O<2>,4|H<1>}	106.6405	0.767	2	106.6405	0.589	2	105.7816	0.941	7	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[4,6]HH)(C[6]C[6]CH)	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[4,6]HH)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	106.4470	0.000	2	106.4470	0.000	2	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]CH)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]CH){1|C<4>,1|O<2>,3|H<1>}	105.8300	0.000	1	105.8300	0.000	1	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	106.6955	0.746	2	106.6955	0.557	2	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCHH)(H){2|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){1|H<1>,3|C<3>}	108.3497	2.531	3	108.3497	6.406	3	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	107.0820	0.000	1	107.0820	0.000	1	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CC){3|C<4>}	105.3710	0.000	1	105.3710	0.000	1	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[5]C[6]O)(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[5]C[6]O)(C[6]C[6]CH){1|O<2>,3|H<1>,4|C<4>}	105.4720	0.000	1	105.4720	0.000	1	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO){2|H<1>,3|C<4>}	104.2740	0.000	1	104.2740	0.000	1	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2{2|H<1>,3|C<4>}	112.3660	0.000	1	107.9237	14.913	3	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	105.7025	0.474	2	107.9237	14.913	3	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	107.8200	0.000	1	107.8200	0.000	1	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,4|H<1>}	105.1840	0.431	2	105.1840	0.186	2	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	107.1870	0.682	2	106.1956	1.580	5	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	105.5347	1.136	3	106.1956	1.580	5	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,2|H<1>}	106.5980	0.000	1	106.5980	0.000	1	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,2|H<1>}	105.8655	0.275	2	105.8655	0.076	2	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,1|N<3>,3|H<1>}	105.5040	0.000	1	105.5445	0.003	2	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	105.5850	0.000	1	105.5445	0.003	2	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	105.4070	0.000	1	105.4070	0.000	1	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	106.8700	0.000	1	106.8700	0.000	1	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	114.1075	0.228	2	114.1075	0.052	2	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	106.6400	0.000	1	110.3110	10.180	3	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CCO)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	112.1465	0.381	2	110.3110	10.180	3	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	105.9990	0.672	2	106.0837	0.247	3	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)2{1|O<2>,2|C<4>,2|H<1>}	106.2530	0.000	1	106.0837	0.247	3	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	105.9180	0.000	1	105.9180	0.000	1	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6]O)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,4|H<1>}	106.1320	0.000	1	106.1320	0.000	1	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|N<4>,2|C<4>,2|H<1>}	107.5940	0.000	1	107.5940	0.000	1	107.0985	6.291	41	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:P[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCC)(H)2	O[6](C[6]C[6]CH)(P[6]O[6]OO)	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C(C[6]C[6]O[6]H)(CCC)(H)2	O[6](C[6]C[6]CH)(P[6]O[6]OO){1|C<4>,2|H<1>}	107.5790	2.895	4	107.5790	8.381	4	107.5790	8.381	4	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NCC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(NCC)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	108.0200	0.000	1	108.0200	0.000	1	107.1066	1.046	5	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NCH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(NCH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.0060	0.182	2	106.0060	0.033	2	107.1066	1.046	5	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NCH)(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]CH)	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(NCH)(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]CH){1|C<4>,1|N<4>,3|H<1>}	107.5730	0.000	1	107.5730	0.000	1	107.1066	1.046	5	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C(C[6]C[6]O[6]H)(NCH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]O[6]H)(NCH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	107.9280	0.000	1	107.9280	0.000	1	107.1066	1.046	5	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	106.1440	0.000	1	106.1440	0.000	1	107.1688	1.514	6	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H){1|O<2>,4|H<1>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]HH){1|C<4>,2|H<1>}	108.7100	0.000	1	108.7100	0.000	1	107.1688	1.514	6	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	107.0397	1.166	4	107.0397	1.360	4	107.1688	1.514	6	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H)	C(C[6]C[6]O[6]H)(N[6]C[6]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(N[6]C[6]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	107.5675	0.627	2	107.5675	0.393	2	107.5675	0.393	2	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:Se-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H)	C(C[6]C[6]O[6]H)(SeOO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(SeOO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	104.7430	0.000	1	104.7430	0.000	1	104.7430	0.000	1	106.9642	5.117	83	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CNO)(OC)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CNO)(OC)(H)	O[6](C[6]C[6]CH)2{1|O<2>,2|C<4>,2|H<1>}	106.7650	0.000	1	106.7650	0.000	1	106.1355	0.793	2	106.3530	0.538	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCH)(OH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(OH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|N<3>}	105.5060	0.000	1	105.5060	0.000	1	106.1355	0.793	2	106.3530	0.538	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H)	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	O[6](C[6]C[6]CH)(C[6]N[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	O[6](C[6]C[6]CH)(C[6]N[6]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	106.3530	0.538	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:3:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:N-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	C(C[6]C[6]O[6]H)(COO)(NCH)(H)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(COO)(NCH)(H)	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	104.8620	0.000	1	104.8620	0.000	1	104.8620	0.000	1	104.8620	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:3:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(CH3)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,3|H<1>,4|C<4>}	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CH){3|C<4>,3|H<1>}	104.7750	0.000	1	104.7750	0.000	1	104.7750	0.000	1	104.7750	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:I-1:	C[6]-4:C[6]-4:	C[6](C[3x6]C[4,6,6]C[3x6]C)(O[6]C[6])(CCHI)(H)	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	O[6](C[6]C[3x6]CH)(C[6]O[6]CC)	C[6](C[3x6]C[4,6,6]C[3x6]C)(O[6]C[6])(CCHI)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	O[6](C[6]C[3x6]CH)(C[6]O[6]CC){3|C<4>}	110.0160	0.000	1	110.0160	0.000	1	110.0160	0.000	1	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	107.7920	0.000	1	107.7920	0.000	1	107.9135	0.030	2	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[5,6]O[6]H)(CHSS)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(CHSS)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	108.0350	0.000	1	108.0350	0.000	1	107.9135	0.030	2	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[5,6]O[6]H)(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]O[6]H)(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH){1|C<4>,3|O<2>,4|H<1>}	114.9540	0.471	2	114.9540	0.222	2	114.9540	0.222	2	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CCHH)(H)	C(C[6]C[5,6]O[6]H)(CH3)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CCHH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[5,6]O[6]H)(CH3)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>}	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H)	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH){2|C<4>,2|H<1>,2|O<2>}	106.8210	0.000	1	106.8210	0.000	1	106.8210	0.000	1	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	O[6](C[6]C[6,6]CH)(C[6]C[6]HO){2|C<4>,3|H<1>}	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<2>,4|C<4>,4|H<1>}	105.8530	0.000	1	105.8530	0.000	1	105.6230	0.106	2	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHS)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CHHS)(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){3|C<4>,6|H<1>}	105.3930	0.000	1	105.3930	0.000	1	105.6230	0.106	2	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	108.7770	0.000	1	108.7770	0.000	1	106.9544	1.697	8	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCHO)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,3|C<4>,4|H<1>}	105.6237	0.633	3	105.6237	0.401	3	106.9544	1.697	8	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|Cl<1>,3|C<4>,5|H<1>}	107.1040	0.000	1	107.1040	0.000	1	106.9544	1.697	8	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|H<1>,3|C<4>}	107.2975	0.634	2	107.2975	0.402	2	106.9544	1.697	8	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	108.2880	0.000	1	108.2880	0.000	1	106.9544	1.697	8	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	109.8690	3.927	2	109.8690	15.423	2	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CH)	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CH){3|C<4>}	106.0170	0.000	1	106.0170	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]2H)(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]2H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	106.7193	0.850	3	106.7193	0.723	3	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){2|H<1>,3|C<4>}	106.9205	0.524	2	106.9205	0.275	2	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	107.3160	0.000	1	107.3160	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(CCHO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,3|H<1>}	106.2000	0.000	1	106.2000	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	112.0880	0.000	1	112.0880	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|O<2>,2|C<4>,2|H<1>}	112.1500	0.000	1	112.1500	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CCCH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	107.9870	0.000	1	107.9870	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[5]C[6]O)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[5]C[6]O)(C[6]C[6]CH){1|N<3>,2|C<4>,5|H<1>}	106.2330	0.000	2	106.2330	0.000	2	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|C<4>,4|H<1>}	106.7060	0.000	1	106.7060	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	107.1413	0.943	3	107.1413	0.890	3	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[3]HO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[3]HO)(H)2	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	108.5150	0.505	2	108.5150	0.255	2	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]2H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|Br<1>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]2H)(C[6]C[6]CH){1|Br<1>,3|C<4>,4|H<1>}	106.4450	0.000	1	106.4450	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	107.4210	0.000	1	107.4210	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6a]O[6]C)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	106.9210	0.284	2	106.9210	0.081	2	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CH3)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)(H)2	O[6](C[6]C[6]CH)2{1|C<3>,3|H<1>}	107.7130	0.000	1	107.7130	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[5]C[6]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	113.3120	0.000	1	113.3120	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[6]CH)2{1|C<3>,4|H<1>}	107.0935	0.111	2	107.0944	0.198	5	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	107.0950	0.624	3	107.0944	0.198	5	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CN[5a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(CN[5a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,2|H<1>}	106.7975	0.572	2	106.7975	0.327	2	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC3)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(CC3)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	115.1920	0.000	1	115.1920	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCCH)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	108.0707	0.640	3	107.3260	2.491	4	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CCCH)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	105.0920	0.000	1	107.3260	2.491	4	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	106.2430	0.000	1	106.2430	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	O[6](C[6]C[6]CH)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	108.7010	0.000	1	108.7010	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|S<2>,3|H<1>}	106.1870	0.000	1	109.5040	22.005	2	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>}	112.8210	0.000	1	109.5040	22.005	2	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(CCHH)(H){2|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,3|C<3>}	108.3010	0.000	1	108.3010	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]O[6]CH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	106.9190	0.000	1	106.9190	0.000	1	107.8798	4.976	45	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:P[6]-4:	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(P[6]C[6]OO)	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	O[6](C[6]C[6]CH)(P[6]C[6]OO){2|H<1>,3|C<4>}	110.4170	0.000	1	110.4170	0.000	1	110.4170	0.000	1	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CC[6]HH)(H)	C(C[6]C[6]O[6]H)2(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CC[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)2(H)2	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){4|H<1>,5|C<4>}	104.2450	0.215	2	104.2450	0.046	2	104.2450	0.046	2	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(H)	C(C[6]C[6]O[6]H)2(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)2(H)2	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){4|C<4>,5|H<1>}	107.0590	0.000	1	107.0590	0.000	1	107.0590	0.000	1	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6]O[6]H)(C[6]S[6]2C)(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(C[6]S[6]2C)(H)2	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	109.4780	0.185	2	109.4780	0.034	2	109.0701	9.482	13	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6]O[6]H)2(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)2(H)2	O[6](C[6]C[6]CH)2{1|C<4>,1|O<2>,3|H<1>}	113.4040	0.000	1	108.9959	11.335	11	109.0701	9.482	13	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6]O[6]H)2(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)2(H)2	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	107.5084	2.622	8	108.9959	11.335	11	109.0701	9.482	13	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C(C[6]C[6]O[6]H)2(H)2	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)2(H)2	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	112.7420	0.123	2	108.9959	11.335	11	109.0701	9.482	13	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	C(C[6]C[6]O[6]H)(SO3)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(SO3)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	108.0507	6.489	81	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(CCHO)(H)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]CS)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]CS){1|C<4>,1|N<3>,3|H<1>}	106.9870	0.000	1	106.9870	0.000	1	107.7173	0.424	3	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]CO)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]CO){1|C<4>,1|O<2>,3|H<1>}	107.9280	0.000	1	107.9280	0.000	1	107.7173	0.424	3	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H)	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.2370	0.000	1	108.2370	0.000	1	107.7173	0.424	3	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	105.5040	0.000	1	105.0065	0.495	2	104.7940	0.383	3	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){1|N<2>,3|C<4>,3|H<1>}	104.5090	0.000	1	105.0065	0.495	2	104.7940	0.383	3	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	O[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH){1|O<2>,4|C<4>,4|H<1>}	104.3690	0.000	1	104.3690	0.000	1	104.7940	0.383	3	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.1050	0.000	1	109.1050	0.000	1	107.4255	5.641	2	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	105.7460	0.000	1	105.7460	0.000	1	107.4255	5.641	2	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	105.8150	3.492	3	105.8150	12.195	3	106.8969	2.817	15	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH)	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH){1|H<1>,1|N<3>,2|C<3>}	107.1745	0.825	2	107.1745	0.681	2	106.8969	2.817	15	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<3>,1|C<4>,1|N<3>}	107.8640	0.000	1	107.8640	0.000	1	106.8969	2.817	15	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CN)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CN){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	107.2370	0.000	1	107.2000	0.003	2	106.8969	2.817	15	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CN)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CN){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	107.1630	0.000	1	107.2000	0.003	2	106.8969	2.817	15	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|N<3>,3|H<1>}	107.2470	0.000	1	107.2470	0.000	1	106.8969	2.817	15	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	106.1610	0.000	1	106.1610	0.000	1	106.8969	2.817	15	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	107.3320	0.000	1	107.3320	0.000	1	106.8969	2.817	15	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.5730	0.000	1	106.5730	0.000	1	106.8969	2.817	15	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CN)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CN){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	105.0990	0.000	1	105.0990	0.000	1	106.8969	2.817	15	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.1030	0.000	1	108.1030	0.000	1	106.8969	2.817	15	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H){1|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	108.8810	0.000	1	108.8810	0.000	1	106.8969	2.817	15	106.7756	2.827	23	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:3:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:N[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H)	C(C[6]C[5,6]O[6]H)(CH3)(NOO)(H)	O[6](C[6]C[5,6]CH)(N[6]C[6]C)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]O[6]H)(CH3)(NOO)(H)	O[6](C[6]C[5,6]CH)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	111.6410	0.000	1	111.6410	0.000	1	111.6410	0.000	1	110.3110	3.538	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:S[6]-3:	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(NCC)(H)	O[6](C[6]C[6]CH)(S[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(NCC)(H)	O[6](C[6]C[6]CH)(S[6]O[6]O){1|C<4>,2|H<1>}	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	110.3110	3.538	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	O[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH){2|C<4>,2|O<2>,4|H<1>}	105.5270	0.000	1	105.5270	0.000	1	105.5270	0.000	1	106.7631	6.138	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CCO)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(CCO)(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]CH){1|C<3>,3|H<1>,4|C<4>}	106.0050	0.378	2	106.0050	0.143	2	106.0050	0.143	2	106.7631	6.138	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)(CCO)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(CH3)(CCO)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	106.7320	0.000	1	106.7320	0.000	1	107.2664	8.764	7	106.7631	6.138	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)(COO)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(CH3)(COO)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	105.1850	0.000	1	105.1850	0.000	1	107.2664	8.764	7	106.7631	6.138	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)(COO)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CH3)(COO)(H)	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	104.3265	0.084	2	104.3265	0.007	2	107.2664	8.764	7	106.7631	6.138	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	110.0900	0.000	1	110.0900	0.000	1	107.2664	8.764	7	106.7631	6.138	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(COO)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(COO)(H)	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	111.9210	0.000	1	111.9210	0.000	1	107.2664	8.764	7	106.7631	6.138	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	108.2840	0.000	1	108.2840	0.000	1	107.2664	8.764	7	106.7631	6.138	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	S[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	O[6](S[6]C[6a]2O[6])(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	O[6](S[6]C[6a]2O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	106.9400	0.000	1	106.9400	0.000	1	106.9400	0.000	1	106.7631	6.138	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H)	C(C[6]C[6]O[6]H)(CC[6a]CO)(NHS)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]CO)(NHS)(H)	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	106.7631	6.138	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N-4:C-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H)	C(C[6]C[6]O[6]H)(NH3)(COO)(H)	O[6](C[6]C[5,6]N[5a]H)(C[6]C[6]CH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(NH3)(COO)(H)	O[6](C[6]C[5,6]N[5a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	103.4610	0.000	1	103.4610	0.000	1	103.4610	0.000	1	106.7631	6.138	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:3:2:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	108.2293	0.742	4	108.2293	0.550	4	108.2293	0.550	4	108.2293	0.550	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCCH)(H)	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]CH){1|C<4>,1|O<2>,3|H<1>}	108.9790	0.000	1	108.9790	0.000	1	107.6587	4.825	3	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H)	C(C[6]C[5,6]O[6]H)(CH3)2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C(C[6]C[5,6]O[6]H)(CH3)2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|N<3>,2|C<3>,2|C<4>}	105.1230	0.000	1	106.9985	7.035	2	107.6587	4.825	3	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[5,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H)	C(C[6]C[5,6]O[6]H)(CH3)2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(CCCH)(H){1|O<2>,3|C<3>,5|H<1>}	C(C[6]C[5,6]O[6]H)(CH3)2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CH){1|C<4>,1|N<3>,3|C<3>}	108.8740	0.000	1	106.9985	7.035	2	107.6587	4.825	3	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCCH)(H)	C(C[6]C[6,6]O[6]H)(CH3)2(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]O[6]H)(CH3)2(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]HH){2|C<4>,3|H<1>}	112.0980	0.000	1	112.0980	0.000	1	112.0980	0.000	1	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	O[6](C[5,6]C[5,6]2H)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	106.1060	0.000	2	106.1060	0.000	2	106.1060	0.000	2	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]CC)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC){3|C<4>}	105.3710	0.000	1	105.3710	0.000	1	107.6147	5.134	18	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	O[6](C[6]C[3x6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	O[6](C[6]C[3x6]C[6]H)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.8440	0.000	1	110.8440	0.000	1	107.6147	5.134	18	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CH){2|C<3>,2|H<1>,3|C<4>}	106.3420	0.800	4	106.3420	0.641	4	107.6147	5.134	18	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	105.8410	0.277	2	105.8410	0.077	2	107.6147	5.134	18	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	106.8230	0.000	1	106.8230	0.000	1	107.6147	5.134	18	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	106.3840	0.303	2	106.3840	0.092	2	107.6147	5.134	18	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	106.5730	0.000	1	106.5730	0.000	1	107.6147	5.134	18	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O[6](C[6]C[6]CH)2{1|C<4>,4|H<1>}	111.2240	0.000	1	110.2675	6.860	4	107.6147	5.134	18	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	O[6](C[6]C[6]CH)2{2|C<4>,3|H<1>}	109.9487	3.111	3	110.2675	6.860	4	107.6147	5.134	18	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H){1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	109.4200	0.000	1	109.4200	0.000	1	107.6147	5.134	18	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	107.1460	0.000	1	107.1460	0.000	1	107.6147	5.134	18	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:P[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(P[6]O[6]NO)	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(P[6]O[6]NO){3|C<4>}	108.1410	0.000	1	108.1410	0.000	1	107.2765	1.495	2	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:P[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(P[6]O[6]SS)	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H){1|O<2>,1|S<1>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	O[6](C[6]C[6]CH)(P[6]O[6]SS){3|C<4>}	106.4120	0.000	1	106.4120	0.000	1	107.2765	1.495	2	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H)	C(C[6]C[6]O[6]H)2(CH3)(H)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]CH)	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)2(CH3)(H)	O[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]CH){3|C<4>,3|H<1>}	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	C(C[6]C[6]O[6]H)2(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)2(CH3)(H)	O[6](C[6]C[6]CH)(C[6]O[6]CC){1|H<1>,2|C<4>}	105.1050	0.000	1	105.1050	0.000	1	105.1050	0.000	1	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H)	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	108.3630	0.000	1	108.3630	0.000	1	107.7865	0.665	2	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:1:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S-4:C-4:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H)	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	107.2100	0.000	1	107.2100	0.000	1	107.7865	0.665	2	107.5420	4.519	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:O[6]-2:	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OO)	O[6](C[6]C[6]CH)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H){3|C<4>}	C(C[6]C[6]O[6]H)(CH3)2(OO)	O[6](C[6]C[6]CH)(O[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	105.5740	0.000	1	105.5740	0.000	1	105.5740	0.000	1	105.5740	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	107.0585	0.161	2	106.4614	1.649	9	106.4066	1.351	11	106.8277	2.027	17	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){4|C<4>,4|H<1>}	106.2909	1.429	7	106.4614	1.649	9	106.4066	1.351	11	106.8277	2.027	17	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6,6]C[6]3)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6,6]C[6]3)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	106.1600	0.406	2	106.1600	0.165	2	106.4066	1.351	11	106.8277	2.027	17	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	O[6](C[6]C[5,6]CH)(C[6]C[6]CH)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	O[6](C[6]C[5,6]CH)(C[6]C[6]CH){1|C<4>,1|O<2>,3|H<1>}	106.6400	0.000	1	106.6400	0.000	1	107.5997	2.680	6	106.8277	2.027	17	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	110.6110	0.000	1	110.6110	0.000	1	107.5997	2.680	6	106.8277	2.027	17	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]N[6]CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]N[6]CH){2|C<4>,2|H<1>}	106.0190	0.000	1	106.0190	0.000	1	107.5997	2.680	6	106.8277	2.027	17	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	O[6](C[6]C[6]CH)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	O[6](C[6]C[6]CH)2{1|C<4>,1|O<1>,2|H<1>}	108.0950	0.000	1	108.0950	0.000	1	107.5997	2.680	6	106.8277	2.027	17	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:2:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	107.1165	0.448	2	107.1165	0.200	2	107.5997	2.680	6	106.8277	2.027	17	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:4:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	B[6]-4:C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	O[6](B[6]C[5,6]CC)(C[6]C[6]CH)	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(CH3)3	O[6](B[6]C[5,6]CC)(C[6]C[6]CH){1|C<3>,1|N<3>,2|H<1>}	112.3940	0.000	1	112.3940	0.000	1	112.3940	0.000	1	108.0340	6.351	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:4:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH){1|C<3>,2|H<1>,3|C<4>}	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	108.0340	6.351	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:4:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	107.2410	0.000	1	107.2410	0.000	1	107.2410	0.000	1	108.0340	6.351	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:1:	4:4:4:4:	4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:S[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H)	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6]C[6]CH)(S[6]O[6]OO)	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C(C[6]C[6]O[6]H)(CH3)3	O[6](C[6]C[6]CH)(S[6]O[6]OO){1|C<4>,2|H<1>}	106.3645	0.375	2	106.3645	0.141	2	106.3645	0.141	2	108.0340	6.351	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>}	102.5980	0.000	1	102.5980	0.000	1	102.5980	0.000	1	102.5980	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(N[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(N[6]C[6]O){2|C<4>,2|H<1>}	103.4230	0.000	2	103.2575	0.037	4	103.2575	0.037	4	103.2575	0.037	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(N[6]C[6]O)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(N[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	103.0920	0.000	2	103.2575	0.037	4	103.2575	0.037	4	103.2575	0.037	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[3,6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH)	C(C[6]C[3,6]O[6]O)(F)3	O[6](C[6]C[3,6]CO)(C[6]C[6]HH)	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[3,6]O[6]O)(F)3	O[6](C[6]C[3,6]CO)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	104.3265	0.554	2	104.3265	0.307	2	104.3265	0.307	2	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[3,6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6])(CH3)(OH)	C(C[6]C[3,6]O[6]O)(H)3	O[6](C[6]C[3,6]CO)(C[6]C[6]CH)	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6])(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[3,6]O[6]O)(H)3	O[6](C[6]C[3,6]CO)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<4>}	104.4750	0.000	1	104.4750	0.000	1	104.4750	0.000	1	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[5,6]O[6]O)(H)3	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CO)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC){2|O<2>,4|C<4>}	C(C[6]C[5,6]O[6]O)(H)3	O[6](C[6,6]O[6,6]C[6]C)(C[6]C[5,6]CO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	106.1060	0.000	1	106.1060	0.000	1	106.1060	0.000	1	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,5|C<3>}	102.4930	0.000	1	102.4930	0.000	1	103.4406	0.567	11	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|O<2>,4|C<4>}	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,4|H<1>}	103.4845	1.065	4	103.4845	1.135	4	103.4406	0.567	11	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,4|H<1>}	103.9605	0.023	2	103.9605	0.001	2	103.4406	0.567	11	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	103.4610	0.594	3	103.3738	0.266	4	103.4406	0.567	11	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(F)3	O[6](C[6]C[6]CO)(C[6]C[6]HH){2|C<4>,3|H<1>}	103.1120	0.000	1	103.3738	0.266	4	103.4406	0.567	11	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.5680	0.000	1	107.5680	0.000	1	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO){1|H<1>,1|N<2>,2|O<2>,3|C<4>}	105.7840	0.000	1	105.5110	0.165	5	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	105.3490	0.000	1	105.5110	0.165	5	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CO){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	105.4740	0.527	3	105.5110	0.165	5	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]2H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]2H)(C[6]C[6]CO){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	104.7700	0.000	1	104.7700	0.000	1	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	105.2470	0.000	1	105.5976	0.265	56	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	105.2530	0.000	1	105.5976	0.265	56	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	105.7410	0.498	3	105.5976	0.265	56	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|H<1>,2|F<1>,2|O<2>,3|C<4>}	105.1870	0.000	2	105.5976	0.265	56	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|N<2>,2|H<1>,2|O<2>,3|C<4>}	105.3868	0.565	11	105.5976	0.265	56	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){1|S<2>,2|C<4>,2|H<1>,3|O<2>}	105.4500	0.000	1	105.5976	0.265	56	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|C<4>,2|H<1>,4|O<2>}	105.2680	0.000	1	105.5976	0.265	56	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,2|O<2>,4|C<4>}	106.3190	0.088	2	105.5976	0.265	56	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	105.6832	0.554	28	105.5976	0.265	56	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO){2|O<2>,3|C<4>,3|H<1>}	105.6043	0.153	6	105.5976	0.265	56	105.6088	0.320	63	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[4x6]HH)(C[6]C[6]CO)	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[4x6]HH)(C[6]C[6]CO){2|H<1>,3|C<4>}	105.1290	0.000	1	105.1290	0.000	1	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6,6]HH)(C[6]C[6]CO)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6,6]HH)(C[6]C[6]CO){2|H<1>,3|C<4>}	103.0360	0.000	1	103.0360	0.000	1	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>}	104.9590	0.000	1	104.9590	0.000	1	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	105.6423	0.268	4	105.6423	0.072	4	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|N<3>,1|P<4>,2|H<1>}	103.8090	0.000	1	103.8090	0.000	1	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|N<3>,4|H<1>}	107.0620	0.000	1	107.0620	0.000	1	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[3]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[3]C[6]H)(C[6]C[6]CO){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	105.1460	0.000	1	105.1460	0.000	1	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	105.8650	0.000	1	105.8905	0.038	4	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	105.8990	0.237	3	105.8905	0.038	4	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]2H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	105.7835	0.500	2	106.0852	0.221	12	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]2H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]2H)(C[6]C[6]CO){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	106.2360	0.391	9	106.0852	0.221	12	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]2H)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]2H)(C[6]C[6]CO){2|H<1>,3|C<4>,3|O<2>}	105.3320	0.000	1	106.0852	0.221	12	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	104.8068	0.604	6	104.8068	0.365	6	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	105.4630	0.590	2	105.4541	0.532	12	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,1|O<1>,2|O<2>}	106.0445	0.582	2	105.4541	0.532	12	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	105.2460	0.000	1	105.4541	0.532	12	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	104.8000	0.000	1	105.4541	0.532	12	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|H<1>,2|C<4>,2|O<2>}	105.3980	0.892	6	105.4541	0.532	12	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>}	106.6180	0.000	1	105.7337	0.313	9	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>}	105.5817	0.491	6	105.7337	0.313	9	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|H<1>,2|C<4>,2|O<2>}	105.7475	0.613	2	105.7337	0.313	9	105.5507	0.633	53	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC)	C(C[6]C[6]O[6]O)(H)2(I)	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]O)(H)2(I)	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,4|H<1>}	100.8205	0.141	2	100.8205	0.020	2	100.8205	0.020	2	105.3103	1.132	133	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:2:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:C-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN)	C(C[6]C[5,6]O[6]C)(OH)(H)2	O[6](C[6]C[5,6]CC)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[5,6]O[6]C)(OH)(H)2	O[6](C[6]C[5,6]CC)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	106.3600	0.000	1	106.3600	0.000	1	106.3600	0.000	1	104.9965	3.584	14	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH)	C(C[6]C[6]O[6]O)(OH)(H)2	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO)	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(OH)(H)2	O[6](C[6]C[5]C[6]H)(C[6]C[6]CO){1|O<2>,3|H<1>,4|C<4>}	101.5875	1.240	2	101.5875	1.537	2	104.8916	3.716	13	104.9965	3.584	14	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH)	C(C[6]C[6]O[6]O)(OH)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(OH)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	105.0940	0.000	1	105.0940	0.000	1	104.8916	3.716	13	104.9965	3.584	14	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	C(C[6]C[6]O[6]O)(OH)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(OH)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	106.7800	1.032	2	106.7800	1.066	2	104.8916	3.716	13	104.9965	3.584	14	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	C(C[6]C[6]O[6]O)(OC)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(OC)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	102.3890	0.000	1	102.3890	0.000	1	104.8916	3.716	13	104.9965	3.584	14	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	C(C[6]C[6]O[6]O)(OH)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(OH)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	105.6348	0.768	6	105.6348	0.591	6	104.8916	3.716	13	104.9965	3.584	14	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	C(C[6]C[6]O[6]O)(OH)(H)2	O[6](C[6]C[6]O[6]H)(C[6]C[6]CO)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(OH)(H)2	O[6](C[6]C[6]O[6]H)(C[6]C[6]CO){1|O<2>,2|H<1>,3|C<4>}	105.5640	0.000	1	105.5640	0.000	1	104.8916	3.716	13	104.9965	3.584	14	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH)	C(C[6]C[6]O[6]O)(COO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(COO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	104.6510	0.127	2	104.6510	0.016	2	104.6510	0.016	2	105.9640	1.554	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH)	C(C[6]C[6]O[6]O)(NCC)(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]CO)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(NCC)(H)2	O[6](C[6]C[5,6]HH)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	106.5600	0.000	1	106.5600	0.000	1	106.9750	0.344	2	105.9640	1.554	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	C(C[6]C[6]O[6]O)(NCC)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(NCC)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	107.3900	0.000	1	107.3900	0.000	1	106.9750	0.344	2	105.9640	1.554	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH)	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	106.5680	0.000	1	106.5680	0.000	1	106.5680	0.000	1	105.9640	1.554	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	C(C[6]C[6]O[6]O)(CCHO)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]O)(CCHO)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	111.6660	0.000	1	111.6660	0.000	1	106.5480	7.091	6	105.7322	6.637	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	C(C[6]C[6]O[6]O)(CH3)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]O)(CH3)(H)2	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CO){2|C<3>,2|H<1>,3|C<4>}	105.3650	0.000	2	105.3650	0.000	2	106.5480	7.091	6	105.7322	6.637	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	C(C[6]C[6]O[6]O)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(CCHH)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<4>,4|H<1>}	106.9390	0.000	1	106.9390	0.000	1	106.5480	7.091	6	105.7322	6.637	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	C(C[6]C[6]O[6]O)(CH3)(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]O)(CH3)(H)2	O[6](C[6]C[6,6]HH)(C[6]C[6]CO){2|H<1>,3|C<4>}	104.1490	0.000	1	104.1490	0.000	1	106.5480	7.091	6	105.7322	6.637	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH)	C(C[6]C[6]O[6]O)(CCHO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(CCHO)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]CO){1|C<3>,1|C<4>,3|H<1>}	105.8040	0.000	1	105.8040	0.000	1	106.5480	7.091	6	105.7322	6.637	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	C(C[6]C[6]O[6]O)(NCHH)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(NCHH)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	103.8835	2.320	2	103.8835	5.382	2	104.1007	2.833	3	105.7322	6.637	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	O[6](C[6]C[6]CO)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	104.5350	0.000	1	104.5350	0.000	1	104.1007	2.833	3	105.7322	6.637	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC)	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO){2|C<4>,3|H<1>}	104.9430	0.000	1	104.9430	0.000	1	105.8440	0.775	3	105.8440	0.775	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO){2|H<1>,3|C<4>}	105.8870	0.000	1	105.8870	0.000	1	105.8440	0.775	3	105.8440	0.775	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]CO){2|H<1>,3|C<4>}	106.7020	0.000	1	106.7020	0.000	1	105.8440	0.775	3	105.8440	0.775	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:2:	4:4:4:2:	4:4:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH)	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH){1|O<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<3>,1|C<4>,3|H<1>}	111.3480	0.000	1	111.3480	0.000	1	111.3480	0.000	1	111.3480	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:1:1:1:	4:2:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(COO){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	111.3820	0.000	1	111.3820	0.000	1	108.2005	20.244	2	108.2005	20.244	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:1:1:1:	4:2:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[3x6])	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH){1|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[3x6]){1|O<2>,2|C<4>,2|H<1>}	105.0190	0.000	1	105.0190	0.000	1	108.2005	20.244	2	108.2005	20.244	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	107.6890	0.000	1	107.6890	0.000	1	105.9887	8.744	7	105.6948	6.206	10	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	105.7310	0.000	1	105.7053	9.819	6	105.9887	8.744	7	105.6948	6.206	10	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|O<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	106.3250	0.000	1	105.7053	9.819	6	105.9887	8.744	7	105.6948	6.206	10	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	105.5440	4.025	4	105.7053	9.819	6	105.9887	8.744	7	105.6948	6.206	10	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(CHO)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]HO)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(CHO){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]HO)(C[6]C[6]CC){1|C<4>,2|H<1>,2|S<2>}	105.9120	0.000	1	105.9120	0.000	1	105.0090	0.685	3	105.6948	6.206	10	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(COO)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(COO){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2{1|C<3>,1|C<4>,3|H<1>}	104.5575	0.384	2	104.5575	0.147	2	105.0090	0.685	3	105.6948	6.206	10	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO)	C(C[6]C[6]O[6]C)(CN)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(CN)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	114.3720	0.000	1	114.3720	0.000	1	114.3720	0.000	1	114.3720	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN)	C(C[6]C[6]O[6]C)(CCH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(CCH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	111.5305	0.319	2	111.5305	0.102	2	112.2023	1.405	3	112.2023	1.405	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:3:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO)	C(C[6]C[6]O[6]C)(COO)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(COO)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	113.5460	0.000	1	113.5460	0.000	1	112.2023	1.405	3	112.2023	1.405	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:3:2:1:	4:4:	C[6]-4:O[6]-2:C-4:N-3:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH)	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	O[6](C[6]C[6]CN)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	O[6](C[6]C[6]CN)(C[6]C[6]HH){1|C<4>,4|H<1>}	104.7785	0.188	4	104.7785	0.035	4	104.7785	0.035	4	104.7785	0.035	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:4:3:1:	4:4:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH)	C(C[6]C[6]O[6]C)(CH3)(COO)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(CH3)(COO)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|O<2>,2|C<4>,2|H<1>}	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:3:	4:4:4:1:	4:2:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C-4:C-4:H-1:	C[6]-4:O[6]-2:	C[6](C[6]C[6]HH)(O[6]O[6])(CCCH)(CHO)	C(C[6]C[6]O[6]C)(CH3)2(H)	O[6](C[6]C[6]CC)(O[6]C[6])	C[6](C[6]C[6]HH)(O[6]O[6])(CCCH)(CHO){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CH3)2(H)	O[6](C[6]C[6]CC)(O[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	103.2930	0.000	1	103.2930	0.000	1	103.2930	0.000	1	103.2930	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]N[6,6])(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	O[6](N[6,6]C[6,6]O[6])(C[6]C[6]CC){3|C<4>,3|H<1>}	107.1915	5.328	2	107.1915	28.388	2	107.1915	28.388	2	108.2463	10.946	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	109.3010	0.000	2	109.3010	0.000	2	109.3010	0.000	2	108.2463	10.946	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:2:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[5,6]C[5,5,6]C[5,6]H)(O[6]O[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(O[6]C[5,6])	C[6](C[5,6]C[5,5,6]C[5,6]H)(O[6]O[6])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(O[6]C[5,6]){1|H<1>,1|O<2>,3|C<4>}	105.9160	7.102	2	105.9160	50.441	2	106.0651	22.428	7	105.9026	23.856	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:2:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]O[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(O[6]C[6,6])	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]O[6])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(O[6]C[6,6]){1|H<1>,1|O<2>,3|C<4>}	104.9645	4.364	4	104.9645	19.046	4	106.0651	22.428	7	105.9026	23.856	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:2:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3)	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(O[6]C[5,6])	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3){2|C<4>,2|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(O[6]C[5,6]){1|H<1>,1|O<2>,3|C<4>}	110.7660	0.000	1	110.7660	0.000	1	106.0651	22.428	7	105.9026	23.856	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:2:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6]C[5,6,6]CH)(O[6]O[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6]C[5,6,6]CH)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(O[6]C[6,6]){1|C<3>,2|C<4>,2|H<1>}	105.3335	7.447	2	105.3335	55.451	2	105.3335	55.451	2	105.9026	23.856	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[5,6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[5,6]C[5,5,6,6]C[5]C)(C[6]C[5,6]CC)	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[5,6])(CH3)2{1|H<1>,5|C<4>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[5,6]C[5,5,6,6]C[5]C)(C[6]C[5,6]CC){2|O<2>,3|C<4>,3|H<1>}	108.0295	3.740	2	108.0295	13.987	2	108.0295	13.987	2	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]C[6]CC){1|C<3>,1|C<4>,2|H<1>}	108.2165	5.028	2	107.1291	11.081	14	107.1315	10.197	24	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]C[6]CC){1|C<3>,1|C<4>,2|H<1>}	106.9479	3.248	12	107.1291	11.081	14	107.1315	10.197	24	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	106.6193	3.067	6	106.6193	9.405	6	107.1315	10.197	24	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]O[6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[5,6]CC)(C[6]O[6]CC){1|H<1>,2|C<4>}	108.5340	4.568	2	108.5340	20.866	2	107.1315	10.197	24	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CC)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	O[6](C[6]C[6a]O[6]H)(C[6]C[5,6]CC){1|H<1>,2|C<3>,2|C<4>}	107.2825	4.126	2	107.2825	17.024	2	107.1315	10.197	24	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6,6]CC)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6,6]CC){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	106.3890	6.985	2	106.3890	48.787	2	106.3890	48.787	2	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(C[6]C[6,6]CH){2|H<1>,3|C<4>}	107.0225	5.133	2	107.0225	26.347	2	107.0607	16.738	4	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{3|C<4>,5|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	107.0990	4.885	2	107.0990	23.860	2	107.0607	16.738	4	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:Si[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(O[6]Si[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(Si[6]O[6]CC)	C[6](C[6,6]C[5,6]C[6,6]H)(O[6]Si[6])(CH3)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C(C[6]C[6,6]O[6]C)(H)3	O[6](C[6]C[6,6]CC)(Si[6]O[6]CC){1|H<1>,2|C<4>}	105.5440	1.656	2	105.5440	2.742	2	105.5440	2.742	2	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	B[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<2>,3|C<3>}	C(C[6]C[6]O[6]C)(F)3	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){2|H<1>,5|C<3>}	106.0397	1.695	4	106.3662	3.689	12	106.3662	3.689	12	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	B[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]C[6]O[6]C)(F)3	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){1|C<4>,4|C<3>,4|H<1>}	106.4705	2.110	4	106.3662	3.689	12	106.3662	3.689	12	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	B[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(F)3	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){1|C<4>,4|C<3>,4|H<1>}	106.7565	3.495	2	106.3662	3.689	12	106.3662	3.689	12	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	B[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(F)3	O[6](B[6]C[6a]2C[6])(C[6]C[6]CC){1|C<4>,4|C<3>,4|H<1>}	106.4205	2.367	2	106.3662	3.689	12	106.3662	3.689	12	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	C(C[6]C[6]O[6]C)(F)3	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]C)(F)3	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,4|H<1>}	101.3310	0.000	1	103.1104	9.628	5	103.1104	9.628	5	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	C(C[6]C[6]O[6]C)(F)3	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){2|O<2>,3|C<4>}	C(C[6]C[6]O[6]C)(F)3	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,4|H<1>}	103.5553	3.394	4	103.1104	9.628	5	103.1104	9.628	5	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	Ge[6]-4:C[6]-4:	C[6](C[6]P[6]HH)(O[6]Ge[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	O[6](Ge[6]O[6]CC)(C[6]C[6]CC)	C[6](C[6]P[6]HH)(O[6]Ge[6])(CF3)2{1|O<2>,1|W<6>,3|C<4>}	C(C[6]C[6]O[6]C)(F)3	O[6](Ge[6]O[6]CC)(C[6]C[6]CC){1|P<4>,2|H<1>}	106.2155	2.355	2	106.2155	5.548	2	106.2155	5.548	2	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	In[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]In[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	O[6](In[6]N[6]CO)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]In[6])(CF3)2{1|N<3>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(F)3	O[6](In[6]N[6]CO)(C[6]C[6]CC){1|C<3>,1|C<4>,2|H<1>}	108.3200	0.580	2	108.3200	0.336	2	108.3200	0.336	2	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	Si[6]-4:C[6]-4:	C[6](C[6]P[6]HH)(O[6]Si[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	O[6](Si[6]O[6]CC)(C[6]C[6]CC)	C[6](C[6]P[6]HH)(O[6]Si[6])(CF3)2{1|O<2>,1|W<6>,3|C<4>}	C(C[6]C[6]O[6]C)(F)3	O[6](Si[6]O[6]CC)(C[6]C[6]CC){1|P<4>,2|H<1>}	106.0065	1.449	2	106.0065	2.099	2	106.0065	2.099	2	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[4,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[4,6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]CC){1|C<3>,2|C<4>,4|H<1>}	107.4073	4.057	6	107.4073	16.460	6	107.4073	16.460	6	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)2{1|H<1>,4|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	107.2067	4.799	4	107.2067	23.035	4	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	107.8690	7.241	2	107.8690	52.429	2	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){1|O<2>,2|C<4>,5|H<1>}	103.5230	0.000	2	103.5230	0.000	2	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	103.0260	0.000	1	103.0260	0.000	1	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	109.0620	0.000	1	109.0620	0.000	1	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	112.1600	0.000	1	112.1600	0.000	1	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|O<2>,2|C<4>,5|H<1>}	107.2845	3.432	4	107.1782	10.473	8	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|O<2>,3|C<4>,4|H<1>}	107.0720	3.554	4	107.1782	10.473	8	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.7430	0.000	2	109.7716	0.968	5	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	110.9360	0.000	1	109.7716	0.968	5	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.2180	0.000	2	109.7716	0.968	5	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){2|H<1>,3|C<4>,3|O<2>}	107.6350	4.412	4	107.6350	19.463	4	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HS)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|O<2>,1|S<2>,2|C<4>,4|H<1>}	107.0870	3.752	12	107.0870	14.075	12	107.4432	13.256	40	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]HH)(C[6]C[6]CC)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]HH)(C[6]C[6]CC){1|C<3>,2|C<4>,2|H<1>}	107.4110	5.340	2	107.4110	28.516	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)2{1|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CC){2|H<1>,4|C<3>}	107.2050	5.284	2	107.2050	27.915	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]2H)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]C[6]2H)(O[6]C[6])(CH3)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<3>,1|C<4>,3|H<1>}	107.9105	3.618	2	107.9105	13.092	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]BrH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	108.1995	7.075	2	108.1995	50.050	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2{1|C<3>,1|C<4>,3|H<1>}	107.0960	5.495	4	106.7299	24.265	28	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	107.3765	7.110	2	106.7299	24.265	28	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2{1|O<2>,2|C<4>,2|H<1>}	106.6046	4.939	22	106.7299	24.265	28	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]CC){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	106.9630	8.071	2	106.9630	65.140	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]FH)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]CC){1|Br<1>,1|C<4>,1|F<1>,2|C<3>,2|H<1>}	107.7440	6.413	2	107.7440	41.132	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CH){2|C<4>,3|H<1>}	104.7150	0.800	3	104.5505	0.535	4	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|C<4>,4|H<1>}	104.0570	0.000	1	104.5505	0.535	4	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]HO)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6,6]HO)(C[6]C[6]CC){1|C<4>,2|H<1>,2|S<2>}	103.9440	0.059	2	103.9440	0.004	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,4|H<1>}	111.7790	0.000	1	110.4906	5.268	5	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){2|O<2>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,4|H<1>}	110.1685	2.516	4	110.4906	5.268	5	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2{2|C<3>,2|H<1>}	108.4770	4.525	2	107.8650	21.146	4	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2{1|C<4>,1|O<2>,3|H<1>}	107.2530	6.439	2	107.8650	21.146	4	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CC){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	106.9335	5.260	2	106.9335	27.669	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]O[6]H)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	107.1188	3.742	6	107.1188	14.006	6	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	103.0310	0.000	1	103.0310	0.000	1	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5]C[6]H)(C[6]C[6]CC){2|O<2>,3|C<4>,3|H<1>}	104.5000	0.000	1	104.5000	0.000	1	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2{1|C<4>,1|O<2>,3|H<1>}	111.9080	0.000	1	110.3757	0.445	12	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)2{1|O<2>,2|C<4>,2|H<1>}	110.2364	0.483	11	110.3757	0.445	12	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3)	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5]C[6]O)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3){1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5]C[6]O)(C[6]C[6]CC){2|C<4>,2|O<2>,4|H<1>}	103.8960	0.000	1	103.8960	0.000	1	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[5]C[6]C)(C[6]C[6]CC){1|O<2>,3|C<4>,4|H<1>}	107.3285	6.181	2	107.3285	38.203	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	108.8030	7.241	2	108.8030	52.429	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]N[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]N[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	108.4080	5.221	2	108.4080	27.262	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.0225	4.065	2	107.0225	16.526	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CC)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]2B[6])(C[6]C[6]CC)	C[6](C[6]O[6]CC)(O[6]C[6])(CH3)2{1|B<3>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6a]2B[6])(C[6]C[6]CC){2|C<4>,2|O<2>,4|C<3>}	106.7565	4.694	2	106.7565	22.038	2	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]O[6]CH)(O[6]C[6])(CH3)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<4>}	106.7425	3.349	4	106.7425	11.218	4	107.4503	16.873	92	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:P[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(P[6]O[6]OO)	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C(C[6]C[6]O[6]C)(H)3	O[6](C[6]C[6]CC)(P[6]O[6]OO){1|C<4>,2|H<1>}	105.7300	2.539	2	105.7300	6.444	2	105.7300	6.444	2	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI)	C(C[6]C[6]O[6]C)(H)2(I)	O[6](C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]C)(H)2(I)	O[6](C[6]C[6]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	111.9110	0.000	1	111.9110	0.000	1	111.9110	0.000	1	107.1885	13.812	198	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:2:1:1:	4:2:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3)	C(C[6]C[5,6]O[6]C)(OC)(H)2	O[6](C[6]C[5,6]CC)(O[6]C[5,6])	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3){2|C<4>,2|H<1>}	C(C[6]C[5,6]O[6]C)(OC)(H)2	O[6](C[6]C[5,6]CC)(O[6]C[5,6]){1|H<1>,1|O<2>,3|C<4>}	104.2950	0.000	1	104.2950	0.000	1	104.2950	0.000	1	104.2950	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO)	C(C[6]C[6]O[6]C)(OH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]C)(OH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	109.9665	0.029	2	109.9665	0.001	2	107.6722	15.982	6	107.6722	15.982	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:2:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)2	C(C[6]C[6]O[6]C)(OH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)2{1|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(OH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|N<3>,4|H<1>}	106.5250	4.623	4	106.5250	21.373	4	107.6722	15.982	6	107.6722	15.982	6	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:3:2:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3)	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]CC){1|C<4>,2|H<1>,2|S<2>}	110.2950	0.262	2	110.2950	0.068	2	110.2950	0.068	2	110.2950	0.068	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	3:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C[6]-4:	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CHHO)(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]O[6]C)(CHHO)(H)2	O[6](N[6]C[6a]C[6])(C[6]C[6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	102.8860	0.000	2	102.8860	0.000	2	102.8860	0.000	2	102.8860	0.000	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	O[6](C[6]C[5]C[6]O)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	O[6](C[6]C[5]C[6]O)(C[6]C[6]CC){2|C<4>,2|O<2>,4|H<1>}	113.4840	0.000	1	113.4840	0.000	1	106.7510	20.224	4	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI){1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	104.3060	0.000	1	104.3060	0.000	1	106.7510	20.224	4	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO){1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	104.6070	0.407	2	104.6070	0.166	2	106.7510	20.224	4	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	O[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	112.5060	0.000	1	112.5060	0.000	1	106.8796	17.348	8	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CHHO)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(CHHO)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){1|O<2>,2|C<4>,5|H<1>}	111.5390	0.000	2	111.5390	0.000	2	106.8796	17.348	8	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	103.5420	0.000	2	103.8906	0.421	5	106.8796	17.348	8	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	103.1990	0.000	1	103.8906	0.421	5	106.8796	17.348	8	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	104.5850	0.000	2	103.8906	0.421	5	106.8796	17.348	8	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	111.0860	0.000	1	111.0860	0.000	1	105.2118	7.188	17	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[5]C[6]H)(C[6]C[6]CC)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[5]C[6]H)(C[6]C[6]CC){2|O<2>,3|C<4>,3|H<1>}	108.7350	0.000	1	108.7350	0.000	1	105.2118	7.188	17	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)2{1|C<4>,1|O<2>,3|H<1>}	101.9310	0.000	1	104.1024	0.695	13	105.2118	7.188	17	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)2{1|O<2>,2|C<4>,2|H<1>}	104.2833	0.542	12	104.1024	0.695	13	105.2118	7.188	17	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)2{1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|N<3>,4|H<1>}	107.7245	5.580	2	107.7245	31.134	2	105.2118	7.188	17	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:1:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(CH3)	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	104.7080	0.000	1	104.7080	0.000	1	104.7080	0.000	1	105.8450	10.934	30	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3)	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC){3|C<4>,5|H<1>}	104.2800	0.000	1	104.2800	0.000	1	104.2800	0.000	1	108.0292	5.384	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH){2|C<4>,3|H<1>}	108.5117	0.861	3	108.9665	1.322	4	108.9665	1.322	4	108.0292	5.384	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:2:4:4:	4:4:2:1:	4:4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	O[6](C[6]C[6]CC)(C[6]C[6]CH){1|C<4>,4|H<1>}	110.3310	0.000	1	108.9665	1.322	4	108.9665	1.322	4	108.0292	5.384	5	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:2:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(O[6]C[6,6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3)	C(C[6]C[6,6]C[6]O[6])(H)3	O[6](C[6]C[6,6]C[6]C)(C[6]C[6]HO)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]O[6])(H)3	O[6](C[6]C[6,6]C[6]C)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	106.9503	9.213	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:B[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH)	C(C[6]C[6a]C[6]O[6])(Cl)(H)2	O[6](C[6]C[6a]C[6]C)(B[6]N[6,6]CC)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(Cl)(H)2	O[6](C[6]C[6a]C[6]C)(B[6]N[6,6]CC){2|H<1>,4|C<3>}	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	106.9503	9.213	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH){1|C<4>,3|C<3>,3|H<1>}	104.3000	0.597	2	104.5358	0.144	5	106.4559	10.944	7	106.9503	9.213	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	104.7700	0.027	2	104.5358	0.144	5	106.4559	10.944	7	106.9503	9.213	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	104.5390	0.000	1	104.5358	0.144	5	106.4559	10.944	7	106.9503	9.213	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]CC){1|Br<1>,1|C<4>,1|F<1>,2|C<3>,2|H<1>}	110.7210	0.000	1	111.2560	0.572	2	106.4559	10.944	7	106.9503	9.213	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:3:2:4:	4:1:1:1:	4:4:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]C)(C[6]C[6]CC){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	111.7910	0.000	1	111.2560	0.572	2	106.4559	10.944	7	106.9503	9.213	9	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C-4:O[6]-2:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.0840	0.052	2	106.0840	0.003	2	106.0840	0.003	2	107.9208	5.089	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C-4:O[6]-2:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,2|H<1>,2|O<2>}	106.8900	0.628	6	106.8900	0.394	6	108.2547	5.310	11	107.9208	5.089	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C-4:O[6]-2:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH)	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[5a,6]HH)(C[6]C[6]CH){1|C<3>,1|N<3>,2|H<1>}	108.9335	1.974	2	108.9335	3.895	2	108.2547	5.310	11	107.9208	5.089	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	3:4:1:1:	4:4:	C[6]-4:C-4:O[6]-2:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)(C[6]P[6]HH)	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|P<4>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	O[6](C[6]C[6]CH)(C[6]P[6]HH){1|O<1>,2|H<1>,2|O<2>}	110.5317	3.129	3	110.5317	9.791	3	108.2547	5.310	11	107.9208	5.089	13	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]HH)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[5,6]CH)(C[6]C[6]HH){2|C<4>,3|H<1>}	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	106.9543	0.523	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,3|H<1>}	107.5160	0.000	1	107.5160	0.000	1	107.5160	0.000	1	106.9543	0.523	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:1:1:	4:4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:N[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]P[6]HH)	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H){1|P<4>,2|H<1>}	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]P[6]HH){1|O<1>,2|H<1>,2|O<2>}	106.1380	0.000	1	106.1380	0.000	1	106.1380	0.000	1	106.9543	0.523	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:2:1:	4:4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO)	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HO){1|C<4>,1|O<2>,3|H<1>}	107.5250	0.000	1	107.5250	0.000	1	107.5250	0.000	1	107.5250	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:3:1:	4:4:	C[5,6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H)	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)2(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(CC[6a]2H)(O[6]C[6])(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[5,6]O[6]H)(C[6a]C[6a]2)2(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]HH){2|C<4>,3|H<1>}	106.4560	0.000	1	106.4560	0.000	1	106.4560	0.000	1	106.4240	0.002	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:3:1:	4:4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:N-3:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NCS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NCS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	106.3920	0.000	1	106.3920	0.000	1	106.3920	0.000	1	106.4240	0.002	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:3:2:	4:4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-3:O-2:	C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	O[6](C[6]C[6,6a]HH)(C[6]C[6]CH){2|C<3>,2|H<1>}	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	107.6755	0.768	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:3:2:	4:4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-4:	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>}	107.0560	0.000	1	107.0560	0.000	1	107.0560	0.000	1	107.6755	0.768	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:4:2:	4:4:	C[3x6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:O-2:	C[6]-4:C[6]-4:	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H)	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	O[6](C[6]C[3x6]CH)(C[6]O[6]CC)	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	O[6](C[6]C[3x6]CH)(C[6]O[6]CC){3|C<4>}	104.0190	0.000	1	104.0190	0.000	1	104.0190	0.000	1	106.3397	2.659	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:4:2:	4:4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:O-2:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,4|H<1>}	107.4740	0.120	2	107.4740	0.014	2	107.1133	0.397	3	106.3397	2.659	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:1:	4:3:4:2:	4:4:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C-4:O-2:	C[6]-4:C[6]-4:	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>}	106.3920	0.000	1	106.3920	0.000	1	107.1133	0.397	3	106.3397	2.659	4	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:2:	4:3:3:2:	4:4:	C[6]-4:C-4:O[6]-2:N-2:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN)	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	O[6](C[6]C[6]CN)(C[6]C[6]HH)	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	O[6](C[6]C[6]CN)(C[6]C[6]HH){1|C<4>,1|N<2>,3|H<1>}	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:3:	4:3:1:1:	4:4:	C[6]-4:C-4:O[6]-2:C-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO)	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CO)	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CC)(C[6]C[6]CO){1|C<4>,2|H<1>,2|O<2>}	104.8960	2.700	2	104.8960	7.289	2	104.8960	7.289	2	104.8960	7.289	2	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6]C[5]C[6]O[6])(H)3	O[6](C[6]C[5]C[6]C)(C[6]C[6]CC)	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){5|H<1>,6|C<4>}	C(C[6]C[5]C[6]O[6])(H)3	O[6](C[6]C[5]C[6]C)(C[6]C[6]CC){1|O<2>,3|C<4>,4|H<1>}	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	111.9317	2.991	3	107.4701	7.389	2846	107.3805	6.871	3304
466	490	622	0:SP3_SP3_SP3	C[6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6,6])(CH3)	C(C[6]C[6]2O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]2C)	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6,6])(CH3){4|H<1>,5|C<4>}	C(C[6]C[6]2O[6])(H)3	O[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]2C){3|C<4>,3|O<2>,5|H<1>}	112.8885	0.699	2	112.8885	0.489	2	112.8885	0.489	2	111.9317	2.991	3	107.4701	7.389	2846	107.3805	6.871	3304