466	466	478	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,5,6,6]	4:4:4:1:	4:4:3:1:	4:4:2:4:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:O[5,6]-2:C[3x6]-4:	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(O[5,6]C[5,5,6,6])(C[3x6]C[3x6]2H)	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(O[5,6]C[5,5,6,6])(C[3x6]C[3x6]2H){1|O<1>,2|C<3>,5|C<4>,6|H<1>}	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	113.2165	0.651	2	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,5,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:2:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[3x6]-4:O[5,6]-2:	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]2H)(O[5,6]C[5,3x6])	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]2H)(O[5,6]C[5,3x6]){1|O<1>,2|C<3>,5|C<4>,6|H<1>}	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	112.6460	0.000	1	113.2165	0.651	2	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[3x6]-4:C[4,6]-4:H-1:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,6]-4:C[3x6]-4:C[4]-4:H-1:	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[3x6]C[3x6]2H)(C[4]C[4]CH)(H)	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H){1|C<3>,5|C<4>,5|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[3x6]C[3x6]2H)(C[4]C[4]CH)(H){2|C<3>,3|C<4>,4|H<1>}	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[4]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Si[4]-4:C[4]-3:Si-4:	C[3x6](C[4]Si[4]C[4]Si)(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	C[4](C[3x6]C[6,6]3)(Si[4]C[4]SiO)(C[4]C[4]H)(SiC3)	C[3x6](C[4]Si[4]C[4]Si)(C[6,6]C[3x6]HH)3{1|Si<4>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{2|Si<4>,1|C<3>,2|C<4>,8|H<1>}	C[4](C[3x6]C[6,6]3)(Si[4]C[4]SiO)(C[4]C[4]H)(SiC3){4|C<4>,6|H<1>}	111.4060	0.529	3	111.4060	0.280	3	111.4060	0.280	3	111.4060	0.280	3	111.4060	0.280	3	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[3x6]	C[6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[4,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-3:C[3x6]-4:C[4,6]-4:C[6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH)	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,9|H<1>}	C[6](C[3x6]C[4,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	116.9080	0.535	2	116.9080	0.286	2	116.9080	0.286	2	116.9080	0.286	2	116.9080	0.286	2	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[3x6]	C[6]	C[4,6,6]	4:3:4:2:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[3x6])	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[3x6]HH)(H)2	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,4|C<4>,6|H<1>}	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	114.1730	0.000	1	114.1730	0.000	1	114.1730	0.000	1	114.1730	0.000	1	113.1347	4.754	12	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[3x6]	C[6]	C[4,6,6]	4:4:4:2:	4:2:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C[6]-4:S[6]-2:	C[3x6]-4:S[6]-2:H-1:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]S[6]HH)(S[6]C[5,6])	C[6](C[3x6]C[4,6,6]C[6,6]S[6])(S[6]C[5,6])(H)2	C[4,6,6](C[3x6]C[6,6]C[6]S[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]S[6]HH)(S[6]C[5,6]){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[6](C[3x6]C[4,6,6]C[6,6]S[6])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[4,6,6](C[3x6]C[6,6]C[6]S[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	110.2280	0.809	2	110.2280	0.654	2	110.2280	0.654	2	110.2280	0.654	2	113.1347	4.754	12	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[3x6]	C[6]	C[4,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[5,6]){1|C<3>,5|C<4>,5|H<1>}	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	114.7812	1.318	4	114.7812	1.737	4	114.4811	1.640	7	114.4811	1.640	7	113.1347	4.754	12	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[3x6]	C[6]	C[4,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,5|C<4>,5|H<1>}	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	114.0810	1.376	3	114.0810	1.894	3	114.4811	1.640	7	114.4811	1.640	7	113.1347	4.754	12	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[3x6]	C[6]	C[4,6,6]	4:4:4:4:	4:2:4:1:	4:4:4:1:	C[3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3)	C[6](C[3x6]C[4,6,6]C[3x6]C)(O[6]C[6])(CCHI)(H)	C[4,6,6](C[3x6]C[3x6]C[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3){4|C<4>,4|H<1>}	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[4,6,6](C[3x6]C[3x6]C[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|H<1>}	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	113.1347	4.754	12	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[3x6]	C[6]	C[4,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[3x6]-4:C-4:O[6]-2:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3)	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H)	C[4,6,6](C[3x6]C[3x6]C[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3){4|C<4>,4|H<1>}	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[4,6,6](C[3x6]C[3x6]C[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|H<1>}	111.2160	0.000	1	111.2160	0.000	1	111.2160	0.000	1	111.2160	0.000	1	113.1347	4.754	12	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6,6]	4:2:4:1:	4:2:2:1:	4:4:3:1:	C[4,6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:S[6]-2:S[6]-2:H-1:	C[4,6]-4:C[6,6]-4:C[4,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(C[6]S[6]2H)(H)	C[6](C[6,6]C[4,6,6]O[6,6]H)(S[6]C[6])2(H)	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]O[6,6]C[6]H)(C[4,6]C[4,6,6]O)(H)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(C[6]S[6]2H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[4,6,6]O[6,6]H)(S[6]C[6])2(H){1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]O[6,6]C[6]H)(C[4,6]C[4,6,6]O)(H){1|C<4>,2|C<3>,2|H<1>,2|S<2>}	113.5310	0.000	1	113.5310	0.000	1	113.5310	0.000	1	113.5310	0.000	1	114.6485	2.498	2	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6,6]	4:2:4:1:	4:4:4:1:	4:4:3:4:	C[4,6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[4,6]-4:C[6,6]-4:C[4,6]-3:C-4:	C[6,6](C[4,6,6]C[4,6]2C)(O[6,6]C[6,6])(C[6]C[6]2H)(H)	C[6](C[6,6]C[4,6,6]O[6,6]H)(C[6]C[6]HH)2(H)	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]O[6,6]C[6]H)(C[4,6]C[4,6,6]N)(CCHH)	C[6,6](C[4,6,6]C[4,6]2C)(O[6,6]C[6,6])(C[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[4,6,6]O[6,6]H)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]O[6,6]C[6]H)(C[4,6]C[4,6,6]N)(CCHH){2|C<3>,2|H<1>,3|C<4>}	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	114.6485	2.498	2	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[4,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6,6]-4:C[4]-4:C-4:	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6]O)(H)2	C[4,6](C[4,6]C[4,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[4]C[4,5]HH)(CH3)	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6]O)(H)2{8|C<4>}	C[4,6](C[4,6]C[4,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[4]C[4,5]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	112.9370	0.014	2	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6]	4:4:4:1:	4:4:1:1:	4:3:4:4:	C[6,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[4,6]-3:C[4]-4:C-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[4,6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4,5]C[6])(C[4]C[4,5]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	C[4,6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4,5]C[6])(C[4]C[4,5]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	112.8520	0.000	1	112.8520	0.000	1	112.8520	0.000	1	112.8520	0.000	1	112.9370	0.014	2	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[3x4]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3x4]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,4]-4:C[4,4]-4:C[4,4]-4:C[6]-4:	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x4]C[6]H)(H)2	C[3x4](C[4,4]C[3x4]HH)3(C[6]C[6]2H)	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x4]C[6]H)(H)2{4|H<1>,7|C<4>}	C[3x4](C[4,4]C[3x4]HH)3(C[6]C[6]2H){1|I<1>,2|C<4>,4|H<1>}	112.5590	0.000	1	112.5590	0.000	1	112.5590	0.000	1	111.7570	2.910	3	111.7570	2.910	3	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[3x4]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3x4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,4]-4:C[4,4]-4:C[4,4]-4:C[6]-4:	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6]C[3x4]C[6]H)(C[6]C[6,6]HH)(H)2	C[3x4](C[4,4]C[3x4]HH)3(C[6]C[6]2H)	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,9|H<1>}	C[6](C[6]C[3x4]C[6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[3x4](C[4,4]C[3x4]HH)3(C[6]C[6]2H){1|I<1>,2|C<4>,4|H<1>}	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	111.7570	2.910	3	111.7570	2.910	3	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[3x4]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[3x4]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[4,4]-4:C[4,4]-4:C[4,4]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H)	C[6](C[6]C[3x4]C[5,6]H)(C[6]C[6]HH)(H)2	C[3x4](C[6]C[5,6]C[6]H)(C[4,4]C[3x4]HH)3	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H){11|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[3x4]C[5,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C[3x4](C[6]C[5,6]C[6]H)(C[4,4]C[3x4]HH)3{1|I<1>,3|C<4>,3|H<1>}	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	111.7570	2.910	3	111.7570	2.910	3	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[4]-4:C[4]-4:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H)	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[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<3>,2|H<1>,3|C<4>}	112.9128	1.768	5	113.5372	4.840	6	113.5372	4.840	6	113.5372	4.840	6	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[4]-4:C[4]-4:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H)	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[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<3>,2|H<1>,3|C<4>}	116.6590	0.000	1	113.5372	4.840	6	113.5372	4.840	6	113.5372	4.840	6	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[4]-3:O[4]-2:H-1:	C[6](C[4]C[4]O[4]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[4](C[6]C[6]2H)(C[4]C[4]C)(O[4]C[4])(H)	C[6](C[4]C[4]O[4]H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[4](C[6]C[6]2H)(C[4]C[4]C)(O[4]C[4])(H){1|O<1>,2|C<4>,4|H<1>}	112.0670	2.787	2	112.0670	7.770	2	112.0670	7.770	2	112.0670	7.770	2	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[4]-3:N[4]-3:H-1:	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[4](C[6]C[6]2H)(C[4]C[4]C)(N[4]C[4]H)(H)	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[4](C[6]C[6]2H)(C[4]C[4]C)(N[4]C[4]H)(H){1|O<1>,2|C<4>,4|H<1>}	112.2280	1.600	4	112.2280	2.561	4	112.2280	2.561	4	112.2280	2.561	4	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:N[4]-3:H-1:	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[4](C[4]C[4]ClH)(C[6]C[6]2H)(N[4]C[4]C)(H)	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[4](C[4]C[4]ClH)(C[6]C[6]2H)(N[4]C[4]C)(H){1|O<1>,2|C<4>,4|H<1>}	110.8660	2.898	2	110.8660	8.397	2	110.8660	8.397	2	110.8660	8.397	2	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:P[4]-4:H-1:	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[4](C[4]C[4]HH)(C[6]C[6]2H)(P[4]C[4]BC)(H)	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,6|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	C[4](C[4]C[4]HH)(C[6]C[6]2H)(P[4]C[4]BC)(H){3|C<4>,5|H<1>}	111.7465	0.908	4	111.7465	0.825	4	111.7465	0.825	4	111.6251	2.589	8	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[4]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[4](P[4]C[4]RuC)(C[4]C[4]HH)(C[6]C[6]2H)(H)	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H){1|Ru<9>,3|C<4>,6|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	C[4](P[4]C[4]RuC)(C[4]C[4]HH)(C[6]C[6]2H)(H){3|C<4>,5|H<1>}	111.5037	2.275	4	111.5037	5.178	4	111.5037	5.178	4	111.6251	2.589	8	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[4]-4:C[6]-4:B[5]-3:	C[6](C[4]B[5]C[4]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[4](C[4]C[4]HH)2(C[6]C[6]2H)(B[5]O[5]2)	C[6](C[4]B[5]C[4]2)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,8|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,4|H<1>}	C[4](C[4]C[4]HH)2(C[6]C[6]2H)(B[5]O[5]2){1|Br<1>,4|C<4>,5|H<1>}	112.7780	1.263	2	112.5847	2.646	12	112.5847	2.646	12	112.5847	2.646	12	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[4]-4:C[6]-4:B[5]-3:	C[6](C[4]B[5]C[4]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	C[4](C[4]C[4]HH)2(C[6]C[6]2H)(B[5]O[5]2)	C[6](C[4]B[5]C[4]2)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,8|H<1>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,4|H<1>}	C[4](C[4]C[4]HH)2(C[6]C[6]2H)(B[5]O[5]2){1|C<3>,4|C<4>,5|H<1>}	112.5461	1.746	10	112.5847	2.646	12	112.5847	2.646	12	112.5847	2.646	12	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[4]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:S[4]-3:H-1:	C[6](C[4]C[4]S[4]H)(C[6]C[6]HH)2(OH)	C[6](C[6]C[4]C[6]O)(C[6]C[6]HH)(H)2	C[4](C[4]C[4]HH)(C[6]C[6]2O)(S[4]C[4]O)(H)	C[6](C[4]C[4]S[4]H)(C[6]C[6]HH)2(OH){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[4]C[6]O)(C[6]C[6]HH)(H)2{1|S<3>,2|C<4>,5|H<1>}	C[4](C[4]C[4]HH)(C[6]C[6]2O)(S[4]C[4]O)(H){3|C<4>,5|H<1>}	110.0787	0.876	4	110.0787	0.768	4	110.0787	0.768	4	110.0787	0.768	4	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[4]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[4]C[6]C)(C[6]C[6]H)(H)2	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2C)(H)	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2C)(H){1|C<3>,3|C<4>,4|H<1>}	108.3130	0.000	1	108.3130	0.000	1	110.4100	8.795	2	110.4100	8.795	2	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[4]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[4]C[6]C)(C[6]C[6]O)(H)2	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2C)(H)	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2C)(H){1|C<3>,3|C<4>,4|H<1>}	112.5070	0.000	1	112.5070	0.000	1	110.4100	8.795	2	110.4100	8.795	2	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2C)(H)	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2C)(H){1|C<3>,3|C<4>,4|H<1>}	110.8020	0.000	1	110.8020	0.000	1	109.2430	4.861	2	109.2430	4.861	2	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[4]C[6]C)(C[6]C[6]HH)(H)2	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2C)(H)	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2C)(H){1|C<3>,3|C<4>,4|H<1>}	107.6840	0.000	1	107.6840	0.000	1	109.2430	4.861	2	109.2430	4.861	2	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:4:	4:4:2:1:	4:4:2:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[4]-4:C[6]-4:O[4]-2:H-1:	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[4](C[4]C[4]HO)(C[6]C[6]2C)(O[4]C[4])(H)	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[4](C[4]C[4]HO)(C[6]C[6]2C)(O[4]C[4])(H){1|O<2>,2|H<1>,5|C<4>}	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[4]-4:C[6]-4:O[4]-2:H-1:	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H)	C[4](C[4]C[4]HO)(C[6]C[6]2C)(O[4]C[4])(H)	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[4](C[4]C[4]HO)(C[6]C[6]2C)(O[4]C[4])(H){1|O<2>,2|H<1>,5|C<4>}	111.5280	0.000	1	111.5280	0.000	1	111.5280	0.000	1	111.5280	0.000	1	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	5:4:4:3:	4:4:1:1:	4:4:3:1:	C[3x3,4,3x5,14x6]-5:C[4]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[4]-4:C[4]-3:H-1:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2	C[4](C[6]C[3x3,4,3x5,14x6]C[6]2)(C[4]C[4]C[6]H)(C[4]C[4]C)(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<5>,2|C<3>,2|C<4>,5|B<6>,9|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|B<6>,4|H<1>}	C[4](C[6]C[3x3,4,3x5,14x6]C[6]2)(C[4]C[4]C[6]H)(C[4]C[4]C)(H){1|C<3>,1|C<5>,3|H<1>,4|B<6>,4|C<4>}	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	111.6451	4.441	47	112.1873	4.840	74
466	466	478	0:SP3_SP3_SP3	C[6]	C[6]	C[4]	5:4:4:4:	4:4:1:1:	4:4:3:1:	C[3x3,4,3x5,14x6]-5:C[4]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[4]-4:C[4]-3:H-1:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)2	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2	C[4](C[6]C[3x3,4,3x5,14x6]C[6]2)(C[4]C[4]C[6]H)(C[4]C[4]C)(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)2{1|C<5>,2|C<3>,2|C<4>,5|B<6>,9|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|B<6>,5|H<1>}	C[4](C[6]C[3x3,4,3x5,14x6]C[6]2)(C[4]C[4]C[6]H)(C[4]C[4]C)(H){1|C<5>,2|C<3>,3|C<4>,4|B<6>,4|H<1>}	109.2110	1.690	2	109.2110	2.856	2	109.2110	2.856	2	109.2110	2.856	2	111.6451	4.441	47	112.1873	4.840	74
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,3x6]	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[4,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[4,6,6]-3:C[3x6]-4:C[4,6]-4:C[6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H)	C[4,3x6](C[4,6,6]C[4,6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH)	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,9|H<1>}	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	110.0730	1.014	2	110.0730	1.028	2	110.0730	1.028	2	110.0730	1.028	2	110.0730	1.028	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,5,3x6]	4:4:3:1:	4:4:3:1:	4:4:4:3:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[3x6]-4:C[5,6]-3:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,5,6,6]O)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,5,6,6]O){2|C<3>,4|C<4>,6|H<1>}	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	108.9370	0.382	2	107.1365	4.516	4	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,5,3x6]	4:4:3:1:	4:4:3:1:	4:4:4:3:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[3x6]-4:C[5,6]-3:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,3x6]O)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,3x6]O){1|C<2>,2|C<3>,4|C<4>,5|H<1>}	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	108.9370	0.382	2	107.1365	4.516	4	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,5,3x6]	4:4:3:1:	4:4:4:1:	4:4:4:2:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[3x6]-4:O[5,6]-2:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(O[5,6]C[5,5,6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(O[5,6]C[5,5,6,6]){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	105.0200	0.000	1	105.0200	0.000	1	105.0200	0.000	1	105.3360	0.200	2	107.1365	4.516	4	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,5,3x6]	4:4:3:1:	4:4:4:1:	4:4:4:2:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[3x6]-4:O[5,6]-2:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(O[5,6]C[5,3x6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(O[5,6]C[5,3x6]){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	105.6520	0.000	1	105.6520	0.000	1	105.6520	0.000	1	105.3360	0.200	2	107.1365	4.516	4	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,5,6,6]	4:4:4:1:	4:4:3:1:	4:4:2:4:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:O[5,6]-2:C[3x6]-4:	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(O[5,6]C[5,5,6,6])(C[3x6]C[3x6]2H)	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(O[5,6]C[5,5,6,6])(C[3x6]C[3x6]2H){1|O<1>,2|C<3>,5|C<4>,6|H<1>}	115.7350	0.000	1	115.7350	0.000	1	115.7350	0.000	1	115.7350	0.000	1	115.5760	0.051	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,5,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:2:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[3x6]-4:O[5,6]-2:	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]2H)(O[5,6]C[5,3x6])	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	C[3x6](C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[4,5,6,6]C[3x6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]2H)(O[5,6]C[5,3x6]){1|O<1>,2|C<3>,5|C<4>,6|H<1>}	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	115.5760	0.051	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,6,6]	4:4:2:4:	4:4:2:1:	4:4:4:1:	C[3x6]-4:C[4,6,6]-4:S[6]-2:C-4:	C[3x6]-4:C[6,6]-4:S[6]-2:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6](C[3x6]C[6,6]S[6]H)(C[4,6,6]C[4,6]2H)(S[6]C[5,6])(CH3)	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H)	C[4,6,6](C[3x6]C[3x6]S[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[3x6]C[6,6]S[6]H)(C[4,6,6]C[4,6]2H)(S[6]C[5,6])(CH3){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[4,6,6](C[3x6]C[3x6]S[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	109.0084	5.677	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,6,6]	4:4:2:4:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[4,6,6]-4:O[6]-2:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	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[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H)	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	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[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	111.5625	0.713	2	111.5625	0.509	2	111.5625	0.509	2	111.5625	0.509	2	109.0084	5.677	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,6,6]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6,6](C[3x6]C[3x6]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CH)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[4,6,6](C[3x6]C[3x6]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CH)(H){2|C<3>,2|C<4>,4|H<1>}	106.5700	0.000	1	106.5700	0.000	1	106.5700	0.000	1	106.5700	0.000	1	109.0084	5.677	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,6,6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H)	C[4,6,6](C[3x6]C[3x6]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CH)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H){1|C<3>,5|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H){2|C<3>,4|C<4>,6|H<1>}	C[4,6,6](C[3x6]C[3x6]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CH)(H){1|C<3>,3|C<4>,4|H<1>}	105.5910	0.000	1	105.5910	0.000	1	105.5910	0.000	1	105.5910	0.000	1	109.0084	5.677	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,6,6]	4:4:3:2:	4:4:2:1:	4:4:4:1:	C[3x6]-4:C[4,6,6]-4:C[6]-3:O-2:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH)	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	C[4,6,6](C[3x6]C[3x6]C[6]O)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[4,6,6](C[3x6]C[3x6]C[6]O)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	109.0084	5.677	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:1:	C[3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3)	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	C[4,6,6](C[3x6]C[3x6]C[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3){4|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,5|C<4>}	C[4,6,6](C[3x6]C[3x6]C[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|H<1>}	107.7615	0.247	2	107.7615	0.061	2	107.7615	0.061	2	107.7615	0.061	2	109.0084	5.677	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[4,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[3x6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[4,6]-4:C[3x6]-4:C[4]-4:H-1:	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H)	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[3x6]C[3x6]2H)(C[4]C[4]CH)(H)	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[3x6]C[3x6]2H)(C[4]C[4]CH)(H){2|C<3>,3|C<4>,4|H<1>}	114.6650	0.000	1	114.6650	0.000	1	114.6650	0.000	1	114.6650	0.000	1	114.6650	0.000	1	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[4x6]	C[4,3x6]	4:4:1:1:	4:3:3:1:	4:4:4:1:	C[4,3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-3:C[6,6]-3:F-1:	C[4,3x6]-4:C[4,6]-4:C[3x6]-4:H-1:	C[3x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[4x6]C[3x6]C[6,6]F)(H)2	C[4x6](C[3x6]C[4,3x6]HH)(C[3x6]C[4,3x6]O)(C[6,6]C[6,6]F)(F)	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]F)(C[4,6]C[4,3x6]HH)(C[3x6]C[4x6]HH)(H)	C[3x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[4x6]C[3x6]C[6,6]F)(H)2{1|C<3>,1|C<4>,1|O<1>,2|F<1>,2|H<1>}	C[4x6](C[3x6]C[4,3x6]HH)(C[3x6]C[4,3x6]O)(C[6,6]C[6,6]F)(F){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]F)(C[4,6]C[4,3x6]HH)(C[3x6]C[4x6]HH)(H){2|F<1>,3|C<3>}	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	106.8940	0.254	3	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[4x6]	C[4,3x6]	4:4:1:1:	4:4:3:1:	4:4:4:1:	C[4,3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,3x6]-4:C[4,6]-4:C[3x6]-4:F-1:	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]H)(H)2	C[4x6](C[3x6]C[4,3x6]HH)2(C[6,6]C[6,6]F)(H)	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]F)(C[4,6]C[4,3x6]OO)(C[3x6]C[4x6]HH)(F)	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]H)(H)2{1|C<3>,1|C<4>,2|F<1>,2|H<1>,2|O<2>}	C[4x6](C[3x6]C[4,3x6]HH)2(C[6,6]C[6,6]F)(H){2|C<4>,3|F<1>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]F)(C[4,6]C[4,3x6]OO)(C[3x6]C[4x6]HH)(F){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	107.1740	0.192	2	107.1740	0.037	2	107.1740	0.037	2	107.1740	0.037	2	106.8940	0.254	3	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,3x6]	4:4:3:1:	4:4:1:1:	4:4:4:3:	C[4,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,3x6]-4:C[3,4]-4:C[3x6]-4:C[6]-3:	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[4,3x6](C[4,3x6]C[3,4]C[3x6]C[6])(C[3,4]C[3,4]C[3]2)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[4,3x6](C[4,3x6]C[3,4]C[3x6]C[6])(C[3,4]C[3,4]C[3]2)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O){1|O<1>,3|C<3>,3|C<4>,8|H<1>}	110.7870	0.076	2	110.7870	0.006	2	110.7870	0.006	2	110.7870	0.006	2	111.0180	0.262	7	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,3x6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[4,5,6]-4:C[4,6,6]-4:C[3x6]-4:H-1:	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(O[6,6]C[4,5,6,6])(H)2	C[4,3x6](C[4,5,6]C[4,5,6,6]C[5]C)(C[4,6,6]C[4,5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(H)	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(O[6,6]C[4,5,6,6])(H)2{3|H<1>,4|C<4>}	C[4,3x6](C[4,5,6]C[4,5,6,6]C[5]C)(C[4,6,6]C[4,5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(H){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	110.6450	0.000	1	110.6450	0.000	1	110.6450	0.000	1	110.6450	0.000	1	111.0180	0.262	7	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[3x6]-4:C[4,6]-4:H-1:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){1|S<4>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[4,6]C[4,6,6]HH)(H){1|C<4>,1|N<3>,7|H<1>}	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	111.0180	0.262	7	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[3x6]-4:C-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[3x6]C[6,6]C[6]H)(CCHH)	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[3x6]C[6,6]C[6]H)(CCHH){2|C<3>,2|C<4>,7|H<1>}	111.1275	0.292	2	111.1275	0.085	2	111.4320	0.321	3	111.4320	0.321	3	111.0180	0.262	7	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[3x6]-4:C-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[3x6]C[6,6]C[6]H)(CH3)	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[3x6]C[6,6]C[6]H)(CH3){2|C<3>,2|C<4>,7|H<1>}	112.0410	0.000	1	112.0410	0.000	1	111.4320	0.321	3	111.4320	0.321	3	111.0180	0.262	7	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,5,3x6]	4:4:3:1:	4:4:1:1:	4:4:3:4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	108.7950	0.156	2	108.7950	0.024	2	108.7950	0.024	2	108.7950	0.024	2	107.4816	1.735	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,5,3x6]	4:4:3:1:	4:4:1:1:	4:4:4:2:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[3x6]-4:O[5,6]-2:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O[5,6]C[5,3x6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O[5,6]C[5,3x6]){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	108.0087	0.707	3	108.0087	0.500	3	108.0087	0.500	3	108.0087	0.500	3	107.4816	1.735	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,5,3x6]	4:4:3:1:	4:4:3:1:	4:4:3:4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){1|C<2>,2|C<3>,4|C<4>,5|H<1>}	106.3910	0.594	2	106.0790	0.468	3	106.0790	0.468	3	106.0790	0.468	3	107.4816	1.735	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,5,3x6]	4:4:3:1:	4:4:3:1:	4:4:3:4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	105.4550	0.000	1	106.0790	0.468	3	106.0790	0.468	3	106.0790	0.468	3	107.4816	1.735	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[4,6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[3x6]-4:C[4]-3:H-1:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[6a]C[4])(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[6a]C[4])(H){2|C<4>,3|H<1>,4|C<3>}	107.2440	0.000	1	107.2440	0.000	1	107.2440	0.000	1	107.2440	0.000	1	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[3x6]-4:C[4,4]-4:H-1:	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H)	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[4,6,6](C[4,6,6]C[3x6]C[4,4]H)(C[3x6]C[6,6]N[6,6]H)(C[4,4]C[4,4]C[4,5]H)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6,6]C[3x6]C[4,4]H)(C[3x6]C[6,6]N[6,6]H)(C[4,4]C[4,4]C[4,5]H)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	112.7150	0.000	1	112.7070	0.000	2	112.7070	0.000	2	112.7070	0.000	2	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[3x6]-4:C[4,4]-4:H-1:	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H)	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[4,6,6](C[4,6,6]C[3x6]C[4,4]H)(C[3x6]C[6,6]N[6,6]H)(C[4,4]C[4,4]C[4,5]H)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6,6]C[3x6]C[4,4]H)(C[3x6]C[6,6]N[6,6]H)(C[4,4]C[4,4]C[4,5]H)(H){1|N<2>,3|C<4>,5|H<1>}	112.6990	0.000	1	112.7070	0.000	2	112.7070	0.000	2	112.7070	0.000	2	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[3x6]-4:C[4]-3:H-1:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[4]C)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[4]C)(H){2|C<3>,2|C<4>,3|H<1>}	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,5,6,6]-4:C[3x6]-4:O[4]-2:H-1:	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	C[4,6,6](C[4,5,6,6]C[5,3x6]C[4,5]H)(C[3x6]C[6,6]2H)(O[4]C[4,5])(H)	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[4,6,6](C[4,5,6,6]C[5,3x6]C[4,5]H)(C[3x6]C[6,6]2H)(O[4]C[4,5])(H){2|C<3>,3|C<4>,4|H<1>}	105.5520	0.000	1	105.5520	0.000	1	105.5520	0.000	1	105.5520	0.000	1	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:2:2:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:S[4]-2:S[4]-2:	C[3x6](C[4,6,6]C[3x6]S[4]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[4,6,6](C[3x6]C[6,6]2H)2(S[4]C[4,6,6])2	C[3x6](C[4,6,6]C[3x6]S[4]2)(C[6,6]C[3x6]HH)2(H){3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	C[4,6,6](C[3x6]C[6,6]2H)2(S[4]C[4,6,6])2{4|C<4>,8|H<1>}	108.9977	0.353	4	108.9977	0.125	4	108.9977	0.125	4	108.9977	0.125	4	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4,3x6]-4:C[3x6]-4:C[4]-4:H-1:	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[4,6,6](C[4,3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(C[4]C[4]CH)(H)	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[4,6,6](C[4,3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(C[4]C[4]CH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	107.8495	5.045	2	107.8495	25.454	2	107.6420	24.072	4	107.3759	11.679	8	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4,3x6]-4:C[3x6]-4:C[4]-4:H-1:	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[4,6,6](C[4,3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(C[4]C[6a]C[4]O)(H)	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[4,6,6](C[4,3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(C[4]C[6a]C[4]O)(H){2|C<3>,3|C<4>,9|H<1>}	107.4345	6.826	2	107.4345	46.590	2	107.6420	24.072	4	107.3759	11.679	8	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:Br-1:H-1:	C[4,6,6]-4:C[3x6]-4:C[4]-4:H-1:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H)	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[4]BrH)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(Br)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[4]BrH)(H){2|Br<1>,2|C<4>,5|H<1>}	108.5710	0.646	2	108.5710	0.418	2	108.5710	0.418	2	107.3759	11.679	8	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[3x6]-4:C[4]-4:H-1:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[4]BrH)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[4]BrH)(H){2|Br<1>,2|C<4>,5|H<1>}	105.6485	0.114	2	105.6485	0.013	2	105.6485	0.013	2	107.3759	11.679	8	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4,6,6]-4:C[3x6]-4:C[3x6]-4:O[4]-2:	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2	C[4,6,6](C[4,6,6]C[3x6]2O[4])(C[3x6]C[6,6]2H)2(O[4]O[4])	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[4,6,6](C[4,6,6]C[3x6]2O[4])(C[3x6]C[6,6]2H)2(O[4]O[4]){10|H<1>,6|C<4>}	111.1310	0.269	2	111.1310	0.072	2	109.6125	2.776	8	109.6125	2.776	8	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4,6,6]-4:C[3x6]-4:C[3x6]-4:O[4]-2:	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[4,6,6](C[4,6,6]C[3x6]2O[4])(C[3x6]C[6,6]2H)2(O[4]O[4])	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[4,6,6](C[4,6,6]C[3x6]2O[4])(C[3x6]C[6,6]2H)2(O[4]O[4]){10|H<1>,6|C<4>}	108.0965	0.298	2	109.1063	2.642	6	109.6125	2.776	8	109.6125	2.776	8	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4,6,6]-4:C[3x6]-4:C[3x6]-4:O[4]-2:	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[4,6,6](C[4,6,6]C[3x6]2O[4])(C[3x6]C[6,6]2H)2(O[4]O[4])	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H){1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	C[4,6,6](C[4,6,6]C[3x6]2O[4])(C[3x6]C[6,6]2H)2(O[4]O[4]){10|H<1>,6|C<4>}	109.6112	1.831	4	109.1063	2.642	6	109.6125	2.776	8	109.6125	2.776	8	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[4,5,6,6]-4:C[3x6]-4:O[4]-2:H-1:	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	C[4,6,6](C[4,5,6,6]C[5,3x6]C[4,5]H)(C[3x6]C[6,6]2H)(O[4]C[4,5])(H)	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|O<2>,3|C<4>,6|H<1>}	C[4,6,6](C[4,5,6,6]C[5,3x6]C[4,5]H)(C[3x6]C[6,6]2H)(O[4]C[4,5])(H){2|C<3>,3|C<4>,4|H<1>}	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[5,6]){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	111.1605	1.438	4	111.1605	2.067	4	111.0411	1.085	7	111.1714	0.884	9	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	110.8820	0.299	3	110.8820	0.089	3	111.0411	1.085	7	111.1714	0.884	9	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[4,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C[6]-4:S[6]-2:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]S[6]HH)(S[6]C[5,6])	C[6,6](C[3x6]C[4,6,6]C[6]S[6])(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[3x6]C[6,6]C[6]S[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]S[6]HH)(S[6]C[5,6]){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6]S[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[6,6]C[6]S[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	111.6275	0.151	2	111.6275	0.023	2	111.6275	0.023	2	111.1714	0.884	9	109.3399	6.435	35	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6]	C[4,3x6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:N[6]-3:H-1:H-1:	C[4,6,6]-4:C[3x6]-4:C[4,6]-4:H-1:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(N[6]C[6]S)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){1|S<4>,3|C<4>,4|H<1>}	C[6](C[3x6]C[4,3x6]C[6,6]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[4,6]C[4,6,6]HH)(H){1|C<4>,1|N<3>,7|H<1>}	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.7717	0.247	4	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6,6]-4:C[3x6]-4:H-1:	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[4,3x6](C[4,5,6]C[4,5,6,6]C[5]C)(C[4,6,6]C[4,5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(H)	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	C[4,3x6](C[4,5,6]C[4,5,6,6]C[5]C)(C[4,6,6]C[4,5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(H){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.7717	0.247	4	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[3x6]-4:C-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[3x6]C[6,6]C[6]H)(CCHH)	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[3x6]C[6,6]C[6]H)(CCHH){2|C<3>,2|C<4>,7|H<1>}	110.2610	0.000	1	110.2610	0.000	1	110.1375	0.031	2	110.1375	0.031	2	109.7717	0.247	4	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[3x6]	C[6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[3x6]-4:C-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[3x6]C[6,6]C[6]H)(CH3)	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[3x6]C[6,6]C[6]H)(CH3){2|C<3>,2|C<4>,7|H<1>}	110.0140	0.000	1	110.0140	0.000	1	110.1375	0.031	2	110.1375	0.031	2	109.7717	0.247	4	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[4x6]	C[3x6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6]-4:C[4x6]-4:H-1:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(H)	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2{4|C<4>,5|H<1>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(H){2|C<3>,3|C<4>,6|H<1>}	109.3927	0.216	3	109.3927	0.047	3	109.3927	0.047	3	109.3927	0.047	3	109.7662	0.461	6	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[4x6]	C[3x6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6]-4:C[4x6]-4:C-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(CCHH)	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2{4|C<4>,5|H<1>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(CCHH){2|C<3>,2|C<4>,7|H<1>}	110.6095	0.220	2	110.6095	0.048	2	110.1397	0.686	3	110.1397	0.686	3	109.7662	0.461	6	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[4x6]	C[3x6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6]-4:C[4x6]-4:C-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(CH3)	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2{4|C<4>,5|H<1>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(CH3){2|C<3>,2|C<4>,7|H<1>}	109.2000	0.000	1	109.2000	0.000	1	110.1397	0.686	3	110.1397	0.686	3	109.7662	0.461	6	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[4x6]	C[5x6]	C[4,3x6]	4:4:3:1:	4:4:4:3:	4:4:4:1:	C[4,3x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:N-3:	C[4,3x6]-4:C[4,6,6]-4:C[4x6]-4:H-1:	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H)	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO)	C[4,3x6](C[4,3x6]C[4,4x6]N[6,6]H)(C[4,6,6]C[4,4x6]N[6]H)(C[4x6]C[5x6]C[6,6]H)(H)	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,4|H<1>}	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[4,3x6](C[4,3x6]C[4,4x6]N[6,6]H)(C[4,6,6]C[4,4x6]N[6]H)(C[4x6]C[5x6]C[6,6]H)(H){2|N<3>,3|C<3>,4|C<4>}	105.1240	0.549	2	105.1240	0.301	2	105.1240	0.301	2	105.1240	0.301	2	105.1240	0.301	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[4x6]	C[5x6]	C[4,4x6]	4:4:3:1:	4:4:4:3:	4:4:4:3:	C[4,4x6]-4:C[5x6]-4:C[6]-3:H-1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:N-3:	C[4,3x6]-4:C[4,6,6]-4:C[4x6]-4:N-3:	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H)	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO)	C[4,4x6](C[4,3x6]C[4,3x6]N[6,6]H)(C[4,6,6]C[4,3x6]N[6]H)(C[4x6]C[5x6]C[6]H)(NOO)	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[4,4x6](C[4,3x6]C[4,3x6]N[6,6]H)(C[4,6,6]C[4,3x6]N[6]H)(C[4x6]C[5x6]C[6]H)(NOO){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	105.0375	0.037	2	105.0375	0.001	2	105.0375	0.001	2	105.0375	0.001	2	105.0375	0.001	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[4x6]	C[6,6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6]-4:C[4x6]-4:H-1:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(H)	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(H){2|C<3>,3|C<4>,6|H<1>}	111.3693	0.178	3	111.3693	0.032	3	111.3693	0.032	3	111.3693	0.032	3	111.5382	0.190	6	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[4x6]	C[6,6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6]-4:C[4x6]-4:C-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(CCHH)	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(CCHH){2|C<3>,2|C<4>,7|H<1>}	111.4265	0.493	2	111.4265	0.243	2	111.7070	0.357	3	111.7070	0.357	3	111.5382	0.190	6	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[4x6]	C[6,6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6]-4:C[4x6]-4:C-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(CH3)	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(CH3){2|C<3>,2|C<4>,7|H<1>}	112.2680	0.000	1	112.2680	0.000	1	111.7070	0.357	3	111.7070	0.357	3	111.5382	0.190	6	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[4,3x6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,3x6]-4:C[4,3x6]-4:C[6,6]-4:H-1:	C[6,6](C[4,3x6]C[4,3x6]2H)(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H)	C[4,3x6](C[4,3x6]C[4,6]C[4x6]C)(C[4,3x6]C[4,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4,3x6]C[4,3x6]2H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,5|H<1>}	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[4x6]HH)2(H){3|C<4>,3|H<1>}	C[4,3x6](C[4,3x6]C[4,6]C[4x6]C)(C[4,3x6]C[4,6]C[4x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	107.9570	0.217	3	107.9570	0.047	3	107.9570	0.047	3	107.9570	0.047	3	108.1929	2.746	7	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[4,3x6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,6,6]-4:C[4]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[4,3x6](C[4,6,6]C[3x6]C[4]H)(C[4]C[6a]C[4]O)(C[6,6]C[3x6]HH)2	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	C[4,3x6](C[4,6,6]C[3x6]C[4]H)(C[4]C[6a]C[4]O)(C[6,6]C[3x6]HH)2{2|C<3>,4|C<4>,4|H<1>}	108.5495	2.866	2	108.5495	8.213	2	108.5495	8.213	2	108.3697	5.363	4	108.1929	2.746	7	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[4,3x6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:C[4]-4:	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H)	C[4,3x6](C[4,6,6]C[3x6]C[4]H)(C[6,6]C[3x6]HH)2(C[4]C[4]CH)	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	C[3x6](C[6,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)2(H){2|H<1>,4|C<4>}	C[4,3x6](C[4,6,6]C[3x6]C[4]H)(C[6,6]C[3x6]HH)2(C[4]C[4]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	108.1900	2.783	2	108.1900	7.746	2	108.1900	7.746	2	108.3697	5.363	4	108.1929	2.746	7	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[4,6,6]	4:4:1:1:	3:4:2:1:	4:4:4:1:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-3:C[6,6]-4:O[6]-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[6,6])(H){1|C<3>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,2|H<1>}	111.3130	0.000	1	111.3130	0.000	1	111.3130	0.000	1	111.3130	0.000	1	112.8337	2.054	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[4,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{2|H<1>,6|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	114.4155	0.532	2	114.4155	0.284	2	113.6730	1.796	3	113.5187	1.292	4	112.8337	2.054	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[4,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]C[6]O)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	112.1880	0.000	1	112.1880	0.000	1	113.6730	1.796	3	113.5187	1.292	4	112.8337	2.054	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[4,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:S[6]-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]S[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[3x6]S[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<4>,1|S<2>,2|H<1>}	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	113.5187	1.292	4	112.8337	2.054	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[4,6,6]	4:4:1:1:	4:4:4:1:	3:4:4:1:	C[4,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[4,6,6]-3:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[3x6]C[3x6]C[5,6]H)(H)2	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H)	C[4,6,6](C[4,6,6]C[4,3x6]C[6])(C[4,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[3x6]C[3x6]C[5,6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,3x6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[4,6,6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[4,6,6](C[4,6,6]C[4,3x6]C[6])(C[4,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	112.8337	2.054	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[4,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){2|C<4>,2|H<1>}	113.4115	0.036	2	113.4115	0.001	2	113.4115	0.001	2	113.4115	0.001	2	112.8337	2.054	8	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5x6]-4:C[6,6]-4:H-1:H-1:	C[4,5,4x6]-4:C[4,4,3x6]-4:C[6,6]-4:H-1:	C[6,6](C[4,3x6]C[4,4,3x6]C[4,5,4x6]H)(C[6,6]C[5,5x6]HH)(H)2	C[6,6](C[5,5x6]C[4,5,4x6]C[5,5,4x6]H)(C[6,6]C[4,3x6]HH)(H)2	C[4,3x6](C[4,5,4x6]C[4,4,5,6,6]C[5,5,4x6]C[6a])(C[4,4,3x6]C[4,4,5,6,6]C[4,5,4x6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,3x6]C[4,4,3x6]C[4,5,4x6]H)(C[6,6]C[5,5x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,5x6]C[4,5,4x6]C[5,5,4x6]H)(C[6,6]C[4,3x6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[4,3x6](C[4,5,4x6]C[4,4,5,6,6]C[5,5,4x6]C[6a])(C[4,4,3x6]C[4,4,5,6,6]C[4,5,4x6]H)(C[6,6]C[6,6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	108.8860	0.000	1	108.8860	0.000	1	108.8860	0.000	1	108.8860	0.000	1	111.9185	18.392	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:C[6]-4:	C[6,6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2{1|H<1>,3|C<4>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	114.9510	0.000	1	114.9510	0.000	1	114.9510	0.000	1	114.9510	0.000	1	111.9185	18.392	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,5,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:3:	C[4,5,6,6]-4:C[6,6]-4:O-2:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[6,6]-4:C[5]-3:	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H)	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2	C[4,5,6,6](C[4,5,6]C[4,5,6,6]C[5]H)2(C[6,6]C[6,6]HO)(C[5]C[5]O)	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[4,5,6,6](C[4,5,6]C[4,5,6,6]C[5]H)2(C[6,6]C[6,6]HO)(C[5]C[5]O){2|C<4>,9|H<1>}	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:3:4:1:	4:3:4:1:	4:4:4:1:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	C[4,6,6](C[6,6]C[6,6,6a]C[6,6]H)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]C[6,6]H)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	116.3325	0.200	2	116.3325	0.040	2	116.3325	0.040	2	116.3325	0.040	2	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	C[4,6,6](C[4,5,6]C[4,6,6]C[5]2)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,5,6]C[4,6,6]C[5]2)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	111.8243	0.798	4	111.8243	0.637	4	111.8243	0.637	4	111.9286	0.532	5	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,3|H<1>}	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	111.9286	0.532	5	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:3:1:1:	4:4:4:2:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:O-2:	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(OH)	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(OH){1|C<3>,3|H<1>}	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:3:4:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	114.0470	0.000	1	114.0470	0.000	1	113.6827	0.109	3	113.6827	0.109	3	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:3:4:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	113.4030	0.000	1	113.4030	0.000	1	113.6827	0.109	3	113.6827	0.109	3	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:3:4:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	113.5980	0.000	1	113.5980	0.000	1	113.6827	0.109	3	113.6827	0.109	3	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:3:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:N[4,6]-3:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[4,6,6](C[4,6]C[4,6,6]HH)(N[4,6]C[4,6,6]C)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[4,6,6](C[4,6]C[4,6,6]HH)(N[4,6]C[4,6,6]C)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:3:4:3:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:N[4,6]-3:C[6,6]-4:C-3:	C[6,6](C[4,6,6]C[4,6]N[4,6]C)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[4,6,6](C[4,6]C[4,6,6]HH)(N[4,6]C[4,6,6]C)(C[6,6]C[6,6]HH)(COO)	C[6,6](C[4,6,6]C[4,6]N[4,6]C)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[4,6,6](C[4,6]C[4,6,6]HH)(N[4,6]C[4,6,6]C)(C[6,6]C[6,6]HH)(COO){1|C<4>,3|H<1>}	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[6,6]-4:S[4,6]-2:H-1:	C[6,6](C[4,6,6]C[4,6]S[4,6]H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[4,6,6](C[4,6]C[4,6,6]HN)(C[6,6]C[6,6]HH)(S[4,6]C[4,6,6])(H)	C[6,6](C[4,6,6]C[4,6]S[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|H<1>,1|S<2>,2|C<4>}	C[4,6,6](C[4,6]C[4,6,6]HN)(C[6,6]C[6,6]HH)(S[4,6]C[4,6,6])(H){2|C<4>,2|H<1>}	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[6,6]-4:S[4,6]-2:C-4:	C[6,6](C[4,6,6]C[4,6]S[4,6]C)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[4,6,6](C[4,6]C[4,6,6]HN)(C[6,6]C[6,6]HH)(S[4,6]C[4,6,6])(CH3)	C[6,6](C[4,6,6]C[4,6]S[4,6]C)(C[6,6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|H<1>,1|S<2>,2|C<4>}	C[4,6,6](C[4,6]C[4,6,6]HN)(C[6,6]C[6,6]HH)(S[4,6]C[4,6,6])(CH3){1|C<4>,3|H<1>}	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6,6]C[4,3x6]C[6]C)(C[4,6]C[4,3x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[4,6,6](C[4,6,6]C[4,3x6]C[6]C)(C[4,6]C[4,3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,5|H<1>}	110.8990	0.000	1	110.8990	0.000	1	110.9753	0.090	4	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]C[6a]O)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]C[6a]O)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	111.0745	0.479	2	111.0007	0.131	3	110.9753	0.090	4	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]C[6a]O)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]C[6a]O)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	110.8530	0.000	1	111.0007	0.131	3	110.9753	0.090	4	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	113.2030	0.242	7	113.2030	0.059	7	113.2406	0.050	9	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[4,6,6]C[6]S[6])(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2{1|S<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[4,6,6]C[6]S[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	113.3720	0.083	2	113.3720	0.007	2	113.2406	0.050	9	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[4,6,6]C[5]N[5])(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[4,6,6]C[5]N[5])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	113.2015	0.936	2	113.2015	0.875	2	112.9406	0.683	5	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(H)2{4|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	112.7667	0.903	3	112.7667	0.815	3	112.9406	0.683	5	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]C[6a]O)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2{1|H<1>,3|C<4>}	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]C[6a]O)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	111.8800	0.000	1	111.8800	0.000	1	111.8800	0.000	1	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	111.8411	1.433	23	111.8411	2.054	23	112.1105	1.571	41	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	113.5830	0.000	1	113.7895	0.085	2	112.1105	1.571	41	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	113.9960	0.000	1	113.7895	0.085	2	112.1105	1.571	41	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	112.2367	0.987	3	112.2367	0.974	3	112.1105	1.571	41	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	112.2513	0.704	10	112.2513	0.496	10	112.1105	1.571	41	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	C[4,6,6](C[4,6]C[4,6,6]CH)(C[4,6]C[4,6,6]CO)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CH)(C[4,6]C[4,6,6]CO)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	111.0500	0.000	1	111.0500	0.000	1	112.1105	1.571	41	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[4,6,6](C[4,6]C[4,6,6]ClH)(C[4,6]C[4,6,6]ClS)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{2|Cl<1>,1|C<4>,1|S<4>,3|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]ClH)(C[4,6]C[4,6,6]ClS)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	113.1655	0.477	2	113.1655	0.228	2	112.1105	1.571	41	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]N[6,6]HH)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]N[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|N<4>,3|H<1>}	111.8310	0.000	1	111.8310	0.000	1	111.8310	0.000	1	112.2624	1.417	61	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,5,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[5,6,6]HO)(H)2	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H)	C[4,6,6](C[4,5,6]C[4,5,6,6]C[5]C)(C[4,6]C[4,5,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[5,6,6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[4,6,6](C[4,5,6]C[4,5,6,6]C[5]C)(C[4,6]C[4,5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>,3|O<2>}	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	113.1115	2.493	6	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HO)(H)2	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	114.4145	0.282	2	114.4145	0.080	2	114.4145	0.080	2	113.1115	2.493	6	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	113.6550	0.000	1	113.6550	0.000	1	113.6550	0.000	1	113.1115	2.493	6	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	113.1160	0.000	1	113.1160	0.000	1	113.0070	0.024	2	113.1115	2.493	6	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	112.8980	0.000	1	112.8980	0.000	1	113.0070	0.024	2	113.1115	2.493	6	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:3:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:B-3:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|B<3>,1|C<4>,2|H<1>}	113.4185	0.006	2	113.4185	0.000	2	113.4185	0.000	2	112.6200	0.587	20	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:3:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	112.7083	0.584	16	112.7083	0.341	16	112.7083	0.341	16	112.6200	0.587	20	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H){4|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	112.6200	0.587	20	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H){4|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	110.8760	0.000	1	110.8760	0.000	1	110.8760	0.000	1	112.6200	0.587	20	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:4:1:	4:4:3:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[4,6]-4:C[6,6]-4:C[4,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6,6]HH)(C[4,6]C[4]N[6])(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6,6]HH)(C[4,6]C[4]N[6])(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	106.0625	0.368	2	106.0625	0.136	2	106.0625	0.136	2	106.0625	0.136	2	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|B<4>,1|C<4>,2|H<1>}	115.1900	0.000	1	115.1900	0.000	1	115.1900	0.000	1	112.4117	5.827	12	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,2|H<1>}	113.4665	0.240	2	113.4665	0.057	2	113.4665	0.057	2	112.4117	5.827	12	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,4,6]-4:C[4,6,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[3,4,6]C[4,6,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[4,6,6](C[3,4,6]C[3,4,6]C[3,6]N[6])(C[4,6,6]C[3,4,6]C[6]N[6])(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[3,4,6]C[4,6,6]H)(C[6,6]C[6]2H)(H)2{2|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,6,6](C[3,4,6]C[3,4,6]C[3,6]N[6])(C[4,6,6]C[3,4,6]C[6]N[6])(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	112.4117	5.827	12	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[4,6,6](C[4,6,6]C[4,6]C[6]N[6])(C[4,6]C[4,6]N[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6]2H)(H)2{2|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,6,6](C[4,6,6]C[4,6]C[6]N[6])(C[4,6]C[4,6]N[6]H)(C[6,6]C[6,6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	112.4117	5.827	12	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|F<1>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|B<4>,1|C<4>,2|H<1>}	113.8015	0.063	2	113.8015	0.004	2	113.8015	0.004	2	112.4117	5.827	12	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6]-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H){4|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,2|H<1>}	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	112.4117	5.827	12	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,3|H<1>,6|C<4>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,2|H<1>}	113.4120	0.381	3	113.3955	0.098	4	113.3955	0.098	4	112.4117	5.827	12	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,3|H<1>,6|C<4>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,2|H<1>}	113.3460	0.000	1	113.3955	0.098	4	113.3955	0.098	4	112.4117	5.827	12	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,3|H<1>}	113.1053	0.837	7	113.1053	0.701	7	112.6938	1.093	11	112.6938	1.093	11	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,3|H<1>}	112.2895	1.421	2	112.2895	2.018	2	112.6938	1.093	11	112.6938	1.093	11	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,3|H<1>}	112.3810	0.000	1	112.3810	0.000	1	112.6938	1.093	11	112.6938	1.093	11	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	C[4,6,6](C[4,6]C[4,6,6]CH)(C[4,6]C[4,6,6]CO)(C[6,6]C[6,6]HO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CH)(C[4,6]C[4,6,6]CO)(C[6,6]C[6,6]HO)(H){1|C<4>,3|H<1>}	110.9350	0.000	1	110.9350	0.000	1	112.6938	1.093	11	112.6938	1.093	11	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:2:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H){4|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,2|H<1>}	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	110.1845	0.044	2	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:2:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H){4|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,2|H<1>}	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	110.1845	0.044	2	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:2:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:N[6]-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H){4|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<4>,2|H<1>}	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:3:2:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,3|H<1>}	111.1633	0.680	3	111.1633	0.463	3	111.1633	0.463	3	111.1633	0.463	3	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:3:2:	4:4:2:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,1|O<2>,2|H<1>}	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>}	111.0587	0.823	7	111.0587	0.677	7	110.4513	1.375	22	110.4513	1.375	22	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHS)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHS)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>}	112.3035	0.377	2	112.3035	0.142	2	110.4513	1.375	22	110.4513	1.375	22	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CSnHH)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CSnHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>}	109.8393	0.929	13	109.8393	0.863	13	110.4513	1.375	22	110.4513	1.375	22	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<2>,2|H<1>}	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	111.2290	0.034	2	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|O<2>,2|H<1>}	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	111.2290	0.034	2	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:B-3:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|B<3>,1|C<4>,2|H<1>}	111.9485	0.131	2	111.9485	0.017	2	111.9485	0.017	2	111.1297	0.532	18	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<3>,2|H<1>}	111.0274	0.708	16	111.0274	0.501	16	111.0274	0.501	16	111.1297	0.532	18	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|B<4>,1|C<4>,2|H<1>}	111.6020	0.000	1	111.6020	0.000	1	111.6020	0.000	1	110.9760	0.425	9	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H){2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<4>,2|H<1>}	111.0315	0.467	2	111.0315	0.218	2	111.0315	0.218	2	110.9760	0.425	9	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|F<1>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|B<4>,1|C<4>,2|H<1>}	111.7895	0.022	2	111.7895	0.000	2	111.7895	0.000	2	110.9760	0.425	9	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|B<4>,4|H<1>,5|C<4>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<4>,2|H<1>}	110.4190	0.157	3	110.3850	0.021	4	110.3850	0.021	4	110.9760	0.425	9	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|B<4>,4|H<1>,5|C<4>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<4>,2|H<1>}	110.2830	0.000	1	110.3850	0.021	4	110.3850	0.021	4	110.9760	0.425	9	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-4:N-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC)	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CN)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CN)(H){1|C<4>,3|H<1>}	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6,6]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6,6]-4:C-4:N-3:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH)	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CN)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CN)(H){1|C<4>,3|H<1>}	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	111.8191	2.647	187	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6]	4:4:3:2:	4:4:4:4:	4:4:3:4:	C[4,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[4,6]-4:C[4]-3:C-4:	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[4,6](C[6,6]C[6,6]C[6]O)(C[4,6]C[6]O[4]H)(C[4]O[4]O)(CH3)	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[4,6](C[6,6]C[6,6]C[6]O)(C[4,6]C[6]O[4]H)(C[4]O[4]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	113.4600	0.000	1	113.4600	0.000	1	113.4600	0.000	1	113.4600	0.000	1	115.0163	2.043	3	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6]	4:4:4:1:	3:4:4:4:	4:3:4:4:	C[6,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[4,6]-3:C[4]-4:C-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3)	C[4,6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4,5]C[6])(C[4]C[4,5]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[4,6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4,5]C[6])(C[4]C[4,5]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	115.0163	2.043	3	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[4,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[4,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[4,6]-4:C[6,6]-4:C[4]-4:C-4:	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[4,6](C[4,6]C[4,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[4]C[4,5]HH)(CH3)	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,5|C<4>}	C[4,6](C[4,6]C[4,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[4]C[4,5]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1	115.0163	2.043	3	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,3x6]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[4,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:N[6,6]-3:C[4]-4:	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(H)2	C[4,3x6](C[4,6,6]C[4]C[6]2)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[4]C[4]HH)	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[4,3x6](C[4,6,6]C[4]C[6]2)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[4]C[4]HH){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	110.7740	0.000	1	110.7740	0.000	1	110.7740	0.000	1	110.7740	0.000	1	111.7550	1.925	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,3x6]	4:4:4:1:	4:4:2:1:	4:4:3:4:	C[4,3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[4,6,6]-4:C[6,6]-4:N[6,6]-3:C[4]-4:	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	C[4,3x6](C[4,6,6]C[4]C[6]2)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[4]C[4]HH)	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<4>,4|H<1>}	C[4,3x6](C[4,6,6]C[4]C[6]2)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[4]C[4]HH){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	112.7360	0.000	1	112.7360	0.000	1	112.7360	0.000	1	112.7360	0.000	1	111.7550	1.925	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,4x6]	4:4:3:1:	3:4:1:1:	4:4:4:2:	C[4,4x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[4,6]-4:C[6,6]-4:O[4,6]-2:	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2	C[4,4x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[4,6]C[4,6,6]HH)(C[6,6]C[6]N[6]H)(O[4,6]C[4,6,6])	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[4,4x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[4,6]C[4,6,6]HH)(C[6,6]C[6]N[6]H)(O[4,6]C[4,6,6]){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,5,6,6]	4:4:4:1:	4:3:1:1:	3:4:3:4:	C[4,5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	N[5,6]-3:C[4,6]-4:N[4,5]-3:C[6,6]-4:	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6]C[6]O)(H)2	C[4,5,6,6](N[5,6]C[6,6a]C[5])(C[4,6]C[4]C[6]H)(N[4,5]C[4]C[5])(C[6,6]C[6]2H)	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	C[4,5,6,6](N[5,6]C[6,6a]C[5])(C[4,6]C[4]C[6]H)(N[4,5]C[4]C[5])(C[6,6]C[6]2H){1|C<4>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	110.3405	0.529	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,5,6,6]	4:4:4:1:	4:3:4:2:	3:4:3:4:	C[4,5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C-4:O-2:	N[5,6]-3:C[4,6]-4:N[4,5]-3:C[6,6]-4:	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[4,5,6,6](N[5,6]C[6,6a]C[5])(C[4,6]C[4]C[6]H)(N[4,5]C[4]C[5])(C[6,6]C[6]2H)	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[4,5,6,6](N[5,6]C[6,6a]C[5])(C[4,6]C[4]C[6]H)(N[4,5]C[4]C[5])(C[6,6]C[6]2H){1|C<4>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	109.8260	0.000	1	109.8260	0.000	1	109.8260	0.000	1	109.8260	0.000	1	110.3405	0.529	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6,6]	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,6]C[6,6a]C[4]H)(C[4,6]C[4]C[6]C)(C[6,6]C[6]O[6]C)(H)	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[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[4,6,6](C[4,6]C[6,6a]C[4]H)(C[4,6]C[4]C[6]C)(C[6,6]C[6]O[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	109.2517	1.418	3	109.2517	2.010	3	109.2517	2.010	3	109.2517	2.010	3	111.3262	6.483	15	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:H-1:I-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H)	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I)	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6,6]C[6]O[6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6,6]C[6]O[6]H)(H){1|C<3>,1|C<4>,1|I<1>,7|H<1>}	113.0155	0.128	2	113.0155	0.016	2	113.0155	0.016	2	113.0155	0.016	2	111.3262	6.483	15	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:N[4,5]-4:C[6,6]-4:C[6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,5]B[4]C[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,5]B[4]C[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH){11|H<1>,3|C<3>,3|C<4>}	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	110.5687	0.113	3	111.3262	6.483	15	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:N[4,6]-4:C[6,6]-4:C[6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2{1|N<4>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HH){11|H<1>,3|C<3>,3|C<4>}	110.3755	0.035	2	110.3755	0.001	2	110.3755	0.001	2	110.5687	0.113	3	111.3262	6.483	15	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6,6]	4:4:4:1:	4:3:4:4:	3:4:4:4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[4,6,6]-3:C[4,6]-4:C[6,6]-4:C-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[4,6,6](C[4,6,6]C[4,6]C[6,6])(C[4,6]C[4,6]C[6]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[4,6,6](C[4,6,6]C[4,6]C[6,6])(C[4,6]C[4,6]C[6]H)(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	113.7730	0.000	1	113.7730	0.000	1	113.7730	0.000	1	113.7730	0.000	1	111.3262	6.483	15	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-3:C[4,6]-4:C[6,6]-4:C-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2	C[4,6,6](C[4,6,6]C[4,6]C[6,6])(C[4,6]C[4,6]C[6]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	C[4,6,6](C[4,6,6]C[4,6]C[6,6])(C[4,6]C[4,6]C[6]H)(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	111.3262	6.483	15	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:N[4,5]-4:C[6,6]-4:C[6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,5]B[4]C[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,5]B[4]C[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH){11|H<1>,3|C<3>,3|C<4>}	114.4360	0.000	1	114.4360	0.000	1	114.4360	0.000	1	114.8563	0.222	3	111.3262	6.483	15	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:N[4,6]-4:C[6,6]-4:C[6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HH){11|H<1>,3|C<3>,3|C<4>}	115.0665	0.422	2	115.0665	0.178	2	115.0665	0.178	2	114.8563	0.222	3	111.3262	6.483	15	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[4,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[4]-4:C[6,6]-4:C[6]-4:	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C[4,6,6](C[3,4,6]C[3,4]C[3,6]H)(C[4]C[3,4]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,9|H<1>}	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[4,6,6](C[3,4,6]C[3,4]C[3,6]H)(C[4]C[3,4]HH)(C[6,6]C[6]2C)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	111.3262	6.483	15	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6,6]	C[6]	C[4,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:4:	C[4,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,4,6]-4:C[4]-4:C[6,6]-4:C[6]-4:	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C[4,6,6](C[3,4,6]C[3,4]C[3,6]H)(C[4]C[3,4]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,9|H<1>}	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C[4,6,6](C[3,4,6]C[3,4]C[3,6]H)(C[4]C[3,4]HH)(C[6,6]C[6]2C)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	108.8770	0.000	1	108.8770	0.000	1	108.8770	0.000	1	108.8770	0.000	1	111.3262	6.483	15	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6,6]	C[4,6]	4:4:1:1:	4:4:4:1:	4:4:4:3:	C[6,6]-4:C[4,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[4]-4:C[6]-4:C[4]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4]2C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H)	C[4,6](C[6]C[6,6]HH)(C[4]O[4]CH)(C[6]C[6]HH)(C[4]O[4]O)	C[6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4]2C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C[4,6](C[6]C[6,6]HH)(C[4]O[4]CH)(C[6]C[6]HH)(C[4]O[4]O){2|C<4>,3|H<1>}	111.8920	0.372	2	111.8920	0.138	2	111.8920	0.138	2	111.8920	0.138	2	111.8920	0.138	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,3x5,6]	4:4:1:1:	4:4:1:1:	4:4:3:4:	C[4,3x5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6,6]-4:C[3x5,6]-4:C[4,5]-3:C[6]-4:	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[3x5,6]C[5,5,6]O[5,6]H)(C[4,5]C[4,5,5,6]C)(C[6]C[6]HH)	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[3x5,6]C[5,5,6]O[5,6]H)(C[4,5]C[4,5,5,6]C)(C[6]C[6]HH){1|C<4>,1|O<1>,7|H<1>}	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	110.1865	0.119	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,3x5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,3x5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6,6]-4:C[4,5,6]-4:C[3x5,6]-4:C[6]-4:	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,6]C[6])(C[4,5,6]C[4,5,5,6,6]O[6]H)(C[3x5,6]C[5,5,6]O[5,6]H)(C[6]C[6]HH)	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,6]C[6])(C[4,5,6]C[4,5,5,6,6]O[6]H)(C[3x5,6]C[5,5,6]O[5,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.1865	0.119	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,3x6]	4:4:1:1:	4:3:1:1:	3:4:4:4:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6,6]-3:C[3x6]-4:C[4,6]-4:C[6]-4:	C[6](C[4,3x6]C[4,6,6]C[3x6]C[4,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x6]HH)(C[6]C[6]O)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH)	C[6](C[4,3x6]C[4,6,6]C[3x6]C[4,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[4,3x6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	109.2650	0.103	2	109.2650	0.011	2	109.2650	0.011	2	109.2650	0.011	2	109.5577	2.646	4	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,3x6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[4,6,6]-4:C[4,6]-4:C[6]-4:	C[6](C[4,3x6]C[6,6,6a]C[4,6,6]C[4,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2	C[4,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH)	C[6](C[4,3x6]C[6,6,6a]C[4,6,6]C[4,6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[4,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	111.7980	0.000	1	111.7980	0.000	1	111.7980	0.000	1	111.7980	0.000	1	109.5577	2.646	4	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:C[6]-4:	C[6](C[4,3x6]C[4,6,6]C[4,6]C[6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	C[6](C[4,3x6]C[4,6,6]C[4,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	109.5577	2.646	4	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,4,5,6]	4:4:1:1:	4:4:1:1:	4:3:3:4:	C[4,4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:N[3,4,4]-3:C[4,5]-3:C[6]-4:	C[6](C[4,4,5,6]C[4,5,6]N[3,4,4]C[4,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,4,5,6]HH)(C[6]C[6]HH)(H)2	C[4,4,5,6](C[4,5,6]C[3,4,5]C[6]H)(N[3,4,4]C[3,4,5]2)(C[4,5]C[3,4,5]O)(C[6]C[6]HH)	C[6](C[4,4,5,6]C[4,5,6]N[3,4,4]C[4,5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[4,4,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[4,4,5,6](C[4,5,6]C[3,4,5]C[6]H)(N[3,4,4]C[3,4,5]2)(C[4,5]C[3,4,5]O)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	111.9690	0.000	1	111.9690	0.000	1	111.9690	0.000	1	111.9690	0.000	1	111.9690	0.000	1	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6]-4:C[4,6,6]-4:C[5,6,6]-4:C[6]-4:	C[6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[5,6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,3x6]HH)(C[6]C[6]HH)(H)2	C[4,5,3x6](C[4,5,5,6]C[4,5,6,6]C[5,5]H)(C[4,6,6]C[4,5,6,6]C[6]H)(C[5,6,6]C[5,5,6,6]ClH)(C[6]C[6]HH)	C[6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[5,6,6])(C[6]C[6]HH)(H)2{1|Cl<1>,4|C<4>,5|H<1>}	C[6](C[6]C[4,5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[4,5,3x6](C[4,5,5,6]C[4,5,6,6]C[5,5]H)(C[4,6,6]C[4,5,6,6]C[6]H)(C[5,6,6]C[5,5,6,6]ClH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	112.8487	0.240	3	112.8487	0.058	3	112.8487	0.058	3	112.8487	0.058	3	112.8487	0.058	3	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,5,6,6]	4:4:1:1:	4:4:1:1:	4:4:3:4:	C[4,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,3x5,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[6]-4:	C[6](C[4,5,5,6,6]C[4,3x5,6]C[4,5,5,6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[4,5,5,6,6](C[4,3x5,6]C[3x5,6]C[4,5]C[6])(C[4,5,5,6]C[5,5,6]C[4,5]H)(C[5,6]O[5,6]O)(C[6]C[6]HH)	C[6](C[4,5,5,6,6]C[4,3x5,6]C[4,5,5,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[4,5,5,6,6](C[4,3x5,6]C[3x5,6]C[4,5]C[6])(C[4,5,5,6]C[5,5,6]C[4,5]H)(C[5,6]O[5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,7|H<1>}	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	109.0300	0.325	2	109.0300	0.325	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,5,6,6]	4:4:1:1:	4:4:1:1:	4:4:3:4:	C[4,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6,6]-4:C[4,3x5,6]-4:C[5,6]-3:C[6]-4:	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[4,5,5,6,6](C[4,5,5,6,6]C[4,5,6]C[5,5,6]C[6])(C[4,3x5,6]C[3x5,6]C[4,5,6]C[6])(C[5,6]O[5,6]O)(C[6]C[6]HH)	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,5,6]C[5,5,6]C[6])(C[4,3x5,6]C[3x5,6]C[4,5,6]C[6])(C[5,6]O[5,6]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|O<2>,8|H<1>}	108.6270	0.000	1	108.6270	0.000	1	108.6270	0.000	1	109.0300	0.325	2	109.0300	0.325	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,5,6]	4:4:1:1:	4:4:1:1:	4:3:4:4:	C[4,5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,5]-3:C[5,5]-4:C[6]-4:	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,5,6]HH)(C[6]C[6]HH)(H)2	C[4,5,5,6](C[4,5,6]C[4,5,5]C[6]C)(C[4,5]C[4,5,5]O)(C[5,5]C[5,5]HO)(C[6]C[6]HH)	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[4,5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[4,5,5,6](C[4,5,6]C[4,5,5]C[6]C)(C[4,5]C[4,5,5]O)(C[5,5]C[5,5]HO)(C[6]C[6]HH){1|C<4>,7|H<1>}	110.9340	0.000	1	110.9340	0.000	1	110.9340	0.000	1	110.9340	0.000	1	110.9340	0.000	1	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,6,6]	4:4:1:1:	4:4:1:1:	4:3:4:4:	C[4,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:N[5,6]-3:C[4,6]-4:C[6]-4:	C[6](C[4,5,6,6]C[4,5,6]C[4,6]N[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2	C[4,5,6,6](C[4,5,6]C[5,6a]C[4]C[6])(N[5,6]C[5,6a]C[6])(C[4,6]C[4]C[6]H)(C[6]C[6]HH)	C[6](C[4,5,6,6]C[4,5,6]C[4,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C[4,5,6,6](C[4,5,6]C[5,6a]C[4]C[6])(N[5,6]C[5,6a]C[6])(C[4,6]C[4]C[6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<1>,6|H<1>}	111.4280	0.000	1	111.4280	0.000	1	111.4280	0.000	1	111.4280	0.000	1	112.2513	1.373	3	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,6,6]	4:4:1:1:	4:4:1:1:	4:4:3:4:	C[4,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[6]-4:	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH)	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH){1|O<1>,4|C<4>,7|H<1>}	112.6630	1.315	2	112.6630	1.730	2	112.6630	1.730	2	112.6630	1.730	2	112.2513	1.373	3	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]H)(H)2	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH)	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	114.1950	0.000	1	114.1950	0.000	1	114.1950	0.000	1	114.1950	0.000	1	111.0658	6.714	10	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,6]	4:4:1:1:	4:4:1:1:	4:3:4:2:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-3:C[6]-4:O[5]-2:	C[6](C[4,5,6]C[4,5]C[4,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[4,5,6]C[4,5]C[4,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	111.0658	6.714	10	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,4,5]-4:C[4,4,5,6]-4:C[6]-4:H-1:	C[6](C[4,5,6]C[4,4,5,6]C[3,4,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[4,5,6](C[3,4,5]C[3,4,5]N[3,4,4]C[6a])(C[4,4,5,6]N[3,4,4]C[4,5]C[6])(C[6]C[6]HH)(H)	C[6](C[4,5,6]C[4,4,5,6]C[3,4,5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,5,6](C[3,4,5]C[3,4,5]N[3,4,4]C[6a])(C[4,4,5,6]N[3,4,4]C[4,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	110.5480	1.365	2	111.0658	6.714	10	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6]-4:C[4,5,5]-4:C[6]-4:H-1:	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[4,5,6](C[4,5,5,6]C[4,5]C[5,5]C[6])(C[4,5,5]C[4,5]C[5,5]H)(C[6]C[6]HH)(H)	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[4,5,6](C[4,5,5,6]C[4,5]C[5,5]C[6])(C[4,5,5]C[4,5]C[5,5]H)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|O<1>,7|H<1>}	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	110.5480	1.365	2	111.0658	6.714	10	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[5,6]-4:C[4]-4:C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[5,6]C[4])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,5,6]HH)(H)2	C[4,5,6](C[4,5,6]C[3,5,6]C[6]O[4])(C[5,6]C[6,6]C[5]H)(C[4]O[4]HH)(C[6]C[6]HH)	C[6](C[4,5,6]C[4,5,6]C[5,6]C[4])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,5,6]HH)(H)2{8|C<4>}	C[4,5,6](C[4,5,6]C[3,5,6]C[6]O[4])(C[5,6]C[6,6]C[5]H)(C[4]O[4]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	108.6793	0.281	3	108.6793	0.079	3	108.6793	0.079	3	111.0918	8.734	6	111.0658	6.714	10	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6]-4:C[4,5,5]-4:C[6]-4:C-4:	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[4,5,6](C[4,5,5,6]C[4,5]C[5,5]C[6])(C[4,5,5]C[4,5]C[5,5]H)(C[6]C[6]HH)(CH3)	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[4,5,6](C[4,5,5,6]C[4,5]C[5,5]C[6])(C[4,5,5]C[4,5]C[5,5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	111.0918	8.734	6	111.0658	6.714	10	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH)	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2{1|Cl<1>,4|C<4>,5|H<1>}	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	114.6945	0.302	2	114.6945	0.091	2	114.6945	0.091	2	111.0918	8.734	6	111.0658	6.714	10	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6,6]-4:C[6]-4:H-1:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2	C[4,6,6](C[4,3x6]C[3x6]C[4,6]C)(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	C[4,6,6](C[4,3x6]C[3x6]C[4,6]C)(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	115.5715	0.197	2	115.5173	0.028	3	112.6455	33.009	4	112.7631	15.011	8	113.3917	9.938	16	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6,6]-4:C[6]-4:H-1:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2	C[4,6,6](C[4,3x6]C[3x6]C[4,6]C)(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	C[4,6,6](C[4,3x6]C[3x6]C[4,6]C)(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	115.4090	0.000	1	115.5173	0.028	3	112.6455	33.009	4	112.7631	15.011	8	113.3917	9.938	16	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6,6]-4:C[6]-4:H-1:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,3x6]C[4,6]C[6,6]C[6])(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,6,6](C[4,3x6]C[4,6]C[6,6]C[6])(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	104.0300	0.000	1	104.0300	0.000	1	112.6455	33.009	4	112.7631	15.011	8	113.3917	9.938	16	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[6]-4:H-1:	C[6](C[4,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,5,3x6]C[4,5,5,6]C[5,6,6]C[6])(C[4,5,6,6]C[4,5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)	C[6](C[4,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,6,6](C[4,5,3x6]C[4,5,5,6]C[5,6,6]C[6])(C[4,5,6,6]C[4,5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H){1|Cl<1>,3|C<4>,8|H<1>}	112.1927	0.360	3	112.1927	0.130	3	112.1927	0.130	3	112.7631	15.011	8	113.3917	9.938	16	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6,6]-4:C[4,3x6]-4:C[6]-4:H-1:	C[6](C[4,6,6]C[4,5,6,6]C[4,3x6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2	C[4,6,6](C[4,5,6,6]C[4,5,6]O[6,6]C[5])(C[4,3x6]C[4,5,6]C[3x6]H)(C[6]C[6]HH)(H)	C[6](C[4,6,6]C[4,5,6,6]C[4,3x6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	C[4,6,6](C[4,5,6,6]C[4,5,6]O[6,6]C[5])(C[4,3x6]C[4,5,6]C[3x6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	112.7631	15.011	8	113.3917	9.938	16	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:3:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[4,6,6]-4:C[6]-4:N[6]-3:	C[6](C[4,6,6]C[3,4,6]C[4,6,6]N[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2	C[4,6,6](C[3,4,6]C[3,4,6]C[3,6]H)(C[4,6,6]C[3,4,6]C[6,6]H)(C[6]C[6]HH)(N[6]C[6]C)	C[6](C[4,6,6]C[3,4,6]C[4,6,6]N[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[4,6,6](C[3,4,6]C[3,4,6]C[3,6]H)(C[4,6,6]C[3,4,6]C[6,6]H)(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	112.6150	3.033	3	113.3917	9.938	16	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:3:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6]-4:N[6]-3:	C[6](C[4,6,6]C[4,6,6]C[4,6]N[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2	C[4,6,6](C[4,6,6]C[4,6]C[6,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)	C[6](C[4,6,6]C[4,6,6]C[4,6]N[6])(C[6]C[6,6]HH)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C[4,6,6](C[4,6,6]C[4,6]C[6,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	112.6150	3.033	3	113.3917	9.938	16	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:3:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[4]-4:C[6]-4:C[6]-3:	C[6](C[4,6,6]C[4,3x6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6,6]HO)(H)2	C[4,6,6](C[4,3x6]C[6,6]N[6,6]C[4])(C[4]C[4]CC)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[4,6,6]C[4,3x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[4,6,6](C[4,3x6]C[6,6]N[6,6]C[4])(C[4]C[4]CC)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,6|H<1>}	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	112.6150	3.033	3	113.3917	9.938	16	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[4]-4:C[6,6]-4:C[6]-4:	C[6](C[4,6,6]C[3,4,6]C[6,6]C[4])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[4,6,6](C[3,4,6]C[3,4]C[3,6]H)(C[4]C[3,4]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[4,6,6]C[3,4,6]C[6,6]C[4])(C[6]C[6]HH)(H)2{5|C<4>,5|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[4,6,6](C[3,4,6]C[3,4]C[3,6]H)(C[4]C[3,4]HH)(C[6,6]C[6]2C)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	112.2870	0.000	1	112.2870	0.000	1	112.2870	0.000	1	115.4255	5.267	4	113.3917	9.938	16	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:N[4,5]-4:C[6,6]-4:C[6]-4:	C[6](C[4,6,6]C[4,6]C[6,6]N[4,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,5]B[4]C[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[4,6,6]C[4,6]C[6,6]N[4,5])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,5]B[4]C[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH){11|H<1>,3|C<3>,3|C<4>}	117.7910	0.000	1	117.7910	0.000	1	117.7910	0.000	1	115.4255	5.267	4	113.3917	9.938	16	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:N[4,6]-4:C[6,6]-4:C[6]-4:	C[6](C[4,6,6]C[4,6]C[6,6]N[4,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[4,6,6]C[4,6]C[6,6]N[4,6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HH){11|H<1>,3|C<3>,3|C<4>}	115.8120	0.239	2	115.8120	0.057	2	115.8120	0.057	2	115.4255	5.267	4	113.3917	9.938	16	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6,6]	4:4:2:1:	4:4:1:1:	4:4:4:3:	C[4,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:C[6]-3:	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6]C[6]HO)(C[6]C[6]O)	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6]C[6]HO)(C[6]C[6]O){10|H<1>,2|C<4>}	112.6150	0.000	1	112.6150	0.000	1	112.6150	0.000	1	112.6150	0.000	1	113.3917	9.938	16	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:3:4:1:	4:3:1:1:	4:3:4:1:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C)(H)2	C[4,6](C[4,5,6]C[4,6a]C[5,6a]N[5,6])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[4,6](C[4,5,6]C[4,6a]C[5,6a]N[5,6])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|S<4>,3|H<1>,7|C<3>}	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:N[4,6]-3:H-1:	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2	C[4,6](C[4]C[6a]C[4]H)(C[6]C[6a]C[6]H)(N[4,6]C[4]O[6])(H)	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[4,6](C[4]C[6a]C[4]H)(C[6]C[6a]C[6]H)(N[4,6]C[4]O[6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[4,6](C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	111.8930	0.000	1	111.8930	0.000	1	114.0320	9.151	2	110.5296	12.595	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[4,6](C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	116.1710	0.000	1	116.1710	0.000	1	114.0320	9.151	2	110.5296	12.595	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2	C[4,6](C[4,6,6]C[4,6]C[6]O[6])(C[4]C[4,6]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[4,6](C[4,6,6]C[4,6]C[6]O[6])(C[4]C[4,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	108.1947	0.412	3	108.1947	0.170	3	108.1947	0.170	3	110.5296	12.595	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:2:1:1:	3:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>}	107.1330	0.000	1	107.1330	0.000	1	107.1330	0.000	1	107.1330	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:1:1:	3:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]O)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH)(H){2|C<3>,4|H<1>}	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:1:1:	4:3:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:N[4]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	C[4,6](C[4,5,6]C[4,5]N[5,6]C[6a])(N[4]C[4,5]O)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[4,6](C[4,5,6]C[4,5]N[5,6]C[6a])(N[4]C[4,5]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:1:1:	4:4:2:1:	C[4,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(Br)(H)	C[6](C[6]C[4,6]BrH)(C[6]C[6]H)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]BrH)(O[4]C[4])(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	C[6](C[6]C[4,6]BrH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]BrH)(O[4]C[4])(H){1|C<3>,1|O<1>,3|H<1>}	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	111.7295	2.507	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:1:1:	4:4:2:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2	C[4,6](C[4,6]C[4]N[6]H)(C[6]C[6]HH)(O[4]C[4])(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[4,6](C[4,6]C[4]N[6]H)(C[6]C[6]HH)(O[4]C[4])(H){2|C<3>,4|H<1>}	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	111.7295	2.507	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:1:1:	4:4:3:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]H)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]H)(H){2|C<3>,3|H<1>}	112.0980	0.000	1	112.0980	0.000	1	112.0980	0.000	1	112.0980	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:1:1:	4:4:3:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:N[4]-3:C-4:	C[6](C[4,6]C[4,6]N[4]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[4,6]HH)(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(N[4]C[4]C)(CHHO)	C[6](C[4,6]C[4,6]N[4]C)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[4,6]HH)(N[6]C[6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(N[4]C[4]C)(CHHO){1|N<3>,1|O<1>,4|H<1>}	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	C[4,6](C[4,5,6,6]C[4,5,6]N[5,6]C[6])(C[4]C[4,5,6]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[4,6](C[4,5,6,6]C[4,5,6]N[5,6]C[6])(C[4]C[4,5,6]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	111.5216	5.837	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2	C[4,6](C[4,5,6]C[4,5,6]C[5]N[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C[4,6](C[4,5,6]C[4,5,6]C[5]N[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	111.5216	5.837	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)2	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[4]C[4,5]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[4]C[4,5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	115.0760	0.000	1	115.0760	0.000	1	112.4940	13.333	2	111.5216	5.837	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	C[4,6](C[4,5,6]C[4,5]N[5,6]H)(C[4]C[4,5]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[4,6](C[4,5,6]C[4,5]N[5,6]H)(C[4]C[4,5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	109.9120	0.000	1	109.9120	0.000	1	112.4940	13.333	2	111.5216	5.837	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[4,6]HH)(N[6]C[6]H)(H)2	C[4,6](C[4,5,6]C[4,5,6]C[5]C[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[4,6](C[4,5,6]C[4,5,6]C[5]C[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|N<3>,6|H<1>}	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	111.5216	5.837	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:C-4:	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(H)2	C[4,6](C[4,6,6]C[6,6]C[4]O[6])(C[4]C[4]HH)(C[6]C[6]HH)(CH3)	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(H)2{1|C<3>,3|C<4>}	C[4,6](C[4,6,6]C[6,6]C[4]O[6])(C[4]C[4]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	113.7065	0.325	2	113.7065	0.105	2	113.7065	0.105	2	113.7065	0.105	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:3:4:1:	4:4:4:1:	C[4,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[4,6]-4:C[6]-4:N[4]-4:H-1:	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H)	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]ClH)(N[4]C[4]CH)(H)	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|N<4>,1|O<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]ClH)(N[4]C[4]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	114.8520	0.000	1	114.8520	0.000	1	114.8520	0.000	1	114.8520	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	3:3:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-3:N[4]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6])(N[4]C[6a]C[4])(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]N[4]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[4,6](C[4,6]C[4]C[6])(N[4]C[6a]C[4])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	105.2620	0.000	1	105.2620	0.000	1	105.2620	0.000	1	105.2620	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	C[4,6]-4:C[6]-4:Cl-1:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[6]-4:C[4]-4:H-1:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(Cl)2	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2	C[4,6](N[4,6]C[4]C[6])(C[6]C[6]Cl2)(C[4]C[4]HO)(H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(Cl)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[6]C[6]Cl2)(C[4]C[4]HO)(H){1|C<4>,1|O<1>,4|H<1>}	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	109.4230	2.770	4	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]C[6]O)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]C[6]O)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	107.2000	0.000	1	107.2000	0.000	1	107.2000	0.000	1	109.4230	2.770	4	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]BrH)(H)2	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]C[6]HH)(H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]BrH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	109.1240	0.000	1	109.1240	0.000	1	110.0155	1.590	2	109.4230	2.770	4	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](N[4,6]C[6]S[4])(C[4]S[4]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[4,6](N[4,6]C[6]S[4])(C[4]S[4]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|H<1>}	110.9070	0.000	1	110.9070	0.000	1	110.0155	1.590	2	109.4230	2.770	4	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[4,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[4]-4:C[4]-4:C[6]-4:	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)(C[4]C[4]HN)(C[6]C[6]FH)	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2{2|C<3>,2|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)(C[4]C[4]HN)(C[6]C[6]FH){1|C<4>,2|C<3>,5|H<1>}	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	111.1645	0.709	12	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:C-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,5]C[6])(C[4]C[4,5]HH)(C[6]C[6]HH)(CH3)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[4,6](C[4,6]C[4,5]C[6])(C[4]C[4,5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.1180	0.000	1	109.1180	0.000	1	109.1180	0.000	1	111.1645	0.709	12	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[4]-4:C[4]-4:C[6]-4:	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]HH)(H)2	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]HH)	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]HH)(H)2{2|C<3>,2|C<4>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	112.0960	0.000	1	112.0960	0.000	1	112.0960	0.000	1	111.1645	0.709	12	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[4]-4:C[6]-4:C-4:	C[6](C[4,6]N[4,6]C[4]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HN)(C[6]C[6]HH)(CH3)	C[6](C[4,6]N[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HN)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,3|H<1>}	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	111.1645	0.709	12	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[4]-4:C[6]-4:C[6]-4:	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	C[4,6](N[4]C[6a]C[4])(C[4]C[4]HO)(C[6]C[6]HH)2	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[4,6](N[4]C[6a]C[4])(C[4]C[4]HO)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	111.3857	0.444	6	111.3857	0.197	6	111.3306	0.300	8	111.1645	0.709	12	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[4]-4:C[6]-4:C[6]-4:	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](N[4]C[6a]C[4])(C[4]C[4]HO)(C[6]C[6]HH)2	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[4,6](N[4]C[6a]C[4])(C[4]C[4]HO)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	111.1655	1.020	2	111.1655	1.041	2	111.3306	0.300	8	111.1645	0.709	12	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:3:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2	C[4,6](C[4,6]C[4,6a]C[4,6]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[4,6](C[4,6]C[4,6a]C[4,6]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	112.4090	0.000	1	112.4090	0.000	1	111.7060	0.988	2	111.1513	3.533	11	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:3:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2	C[4,6](C[4,6]C[4,6a]C[4,6]O)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[4,6a]C[4,6]O)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	111.0030	0.000	1	111.0030	0.000	1	111.7060	0.988	2	111.1513	3.533	11	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:3:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6]HH)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]C[6a])(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.7495	0.630	2	112.7495	0.397	2	112.7495	0.397	2	111.1513	3.533	11	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:3:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[4]C[4,5]C[6a])(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[4]C[4,5]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	111.1513	3.533	11	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:3:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:N[4]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	C[4,6](C[4,5,6]C[5,6]C[4]O[5])(N[4]C[6a]C[4])(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[4,6](C[4,5,6]C[5,6]C[4]O[5])(N[4]C[6a]C[4])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<3>,2|C<3>,3|H<1>}	111.6615	0.308	2	111.6615	0.095	2	111.6615	0.095	2	111.1513	3.533	11	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:3:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	111.1513	3.533	11	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:3:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:N[4,6]-3:C[6]-4:H-1:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4]C[6a]C[4]O)(N[4,6]C[4]C[6])(C[6]C[6]HH)(H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[4,6](C[4]C[6a]C[4]O)(N[4,6]C[4]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	108.4067	0.018	3	108.4067	0.000	3	108.4067	0.000	3	111.1513	3.533	11	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:3:4:2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[4,6]-3:C[6]-4:O-2:	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(H)2	C[4,6](C[3,4,6]C[3,6]C[4,6]C[3])(C[4,6]C[4,6]C[6])(C[6]C[6]HH)(OC)	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[4,6](C[3,4,6]C[3,6]C[4,6]C[3])(C[4,6]C[4,6]C[6])(C[6]C[6]HH)(OC){1|O<2>,3|C<4>,6|H<1>}	110.1500	0.000	1	110.1500	0.000	1	110.1500	0.000	1	111.3255	2.764	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:3:4:2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-3:C[6]-4:S-2:	C[6](C[4,6]C[4,6]2S)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]O)(C[4,6]C[4,6]C[6])(C[6]C[6]HH)(SC)	C[6](C[4,6]C[4,6]2S)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]O)(C[4,6]C[4,6]C[6])(C[6]C[6]HH)(SC){1|O<2>,2|C<4>,6|H<1>}	112.5010	0.000	1	112.5010	0.000	1	112.5010	0.000	1	111.3255	2.764	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2	C[4,6](C[4,6]C[6,6]C[4]C)(C[6]C[6]HH)(O[4]C[4])(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[4,6](C[4,6]C[6,6]C[4]C)(C[6]C[6]HH)(O[4]C[4])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	114.7980	1.627	3	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]FH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H)	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H){1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H){1|F<1>,2|C<4>,4|H<1>}	114.5625	1.709	2	114.5625	2.921	2	114.5625	2.921	2	114.7980	1.627	3	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:3:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]C)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	111.4130	0.000	1	111.9460	0.568	2	111.9460	0.568	2	111.9460	0.568	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:3:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]C)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]C)(H){1|C<3>,1|C<4>,4|H<1>}	112.4790	0.000	1	111.9460	0.568	2	111.9460	0.568	2	111.9460	0.568	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:3:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6a]-3:C[6]-4:	C[6](C[4,6]C[4,6,6]C[6a]C[4])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[4,6]C[4,6,6]C[6a]C[4])(C[6]C[6,6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	114.7620	0.000	1	114.7620	0.000	1	114.7620	0.000	1	114.7620	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2	C[4,6](C[4,5,6]C[4,5,6]C[5,6]H)(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[4,6](C[4,5,6]C[4,5,6]C[5,6]H)(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	114.1030	0.000	1	113.6730	0.265	3	113.6730	0.265	3	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2	C[4,6](C[4,5,6]C[4,5,6]C[5,6]H)(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[4,6](C[4,5,6]C[4,5,6]C[5,6]H)(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	113.4580	0.502	2	113.6730	0.265	3	113.6730	0.265	3	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[4,6]HH)(H)2	C[4,6](C[4,5,6]C[4,5]C[5,6]C)(C[4]C[4,5]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]C)(C[4]C[4,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	113.9150	0.000	1	113.9150	0.000	1	113.9150	0.000	1	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	116.2190	0.000	1	116.2190	0.000	1	116.2190	0.000	1	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H)	C[4,6](C[4,6]C[4,5]C[6]H)(C[4]C[4,5]CC)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H){1|H<1>,1|O<1>,2|C<4>}	C[4,6](C[4,6]C[4,5]C[6]H)(C[4]C[4,5]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	104.3010	0.000	1	104.3010	0.000	1	105.6800	3.803	2	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H)	C[4,6](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H){1|H<1>,1|O<1>,2|C<4>}	C[4,6](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.0590	0.000	1	107.0590	0.000	1	105.6800	3.803	2	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[3,4,6]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[3,4,6]C[3,6]C[4,6]O[3])(C[4,6]C[4,6]C[6]O)(C[6]C[6]HH)(H)	C[6](C[4,6]C[3,4,6]C[4,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,6](C[3,4,6]C[3,6]C[4,6]O[3])(C[4,6]C[4,6]C[6]O)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	113.4330	0.000	1	113.4330	0.000	1	113.4330	0.000	1	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,5]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	C[4,6](C[4,5,6]C[4,5,5]C[5,6]H)(C[4,5]C[4,5,5]C[5]C)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	C[4,6](C[4,5,6]C[4,5,5]C[5,6]H)(C[4,5]C[4,5,5]C[5]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	115.3740	0.000	1	115.3740	0.000	1	115.3740	0.000	1	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[4,5,6]C[5]C[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,5,6]C[4,5,6]C[5]C[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,4|C<4>,8|H<1>}	114.8350	1.102	2	114.8350	1.214	2	114.8350	1.214	2	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]N[5,6]HH)(H)2	C[4,6](C[4,5,6]C[4,5]N[5,6]C)(C[4]C[4,5]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[4,6](C[4,5,6]C[4,5]N[5,6]C)(C[4]C[4,5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5,5]C)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,5]C[4,5]C[5,5]C)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	114.6330	0.000	1	114.6330	0.000	1	113.2392	9.212	4	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5]O)(C[4,6]C[4,5]C[6]O)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,5]C[4,5]C[5]O)(C[4,6]C[4,5]C[6]O)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	110.5170	0.000	1	113.6850	20.072	2	113.2392	9.212	4	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5]O)(C[4,6]C[4,5]C[6]O)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,5]C[4,5]C[5]O)(C[4,6]C[4,5]C[6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	116.8530	0.000	1	113.6850	20.072	2	113.2392	9.212	4	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]O[5]Cl)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,5]C[4,5]O[5]Cl)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	110.9540	0.000	1	110.9540	0.000	1	113.2392	9.212	4	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	113.3840	0.359	2	113.3840	0.129	2	112.8665	0.603	4	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6,6]C[4,6]C[6]2)(C[4]C[4,6]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[4,6](C[4,6,6]C[4,6]C[6]2)(C[4]C[4,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	111.7970	0.000	1	112.3490	0.609	2	112.8665	0.603	4	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6,6]C[4,6]C[6]2)(C[4]C[4,6]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6]2)(C[4]C[4,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	112.9010	0.000	1	112.3490	0.609	2	112.8665	0.603	4	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:B[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]B[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]N[4,6]C[6]H)(B[4]N[4,6]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]B[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C[4,6](C[4,6]N[4,6]C[6]H)(B[4]N[4,6]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	108.1370	0.000	1	108.1370	0.000	1	108.1370	0.000	1	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	112.8930	0.047	2	112.6980	0.115	3	113.8886	1.303	7	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HH)(H){2|O<1>,3|C<4>,3|H<1>}	112.3080	0.000	1	112.6980	0.115	3	113.8886	1.303	7	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]O)2(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]O)2(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	114.6550	0.225	2	114.7815	0.048	4	113.8886	1.303	7	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]O)2(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4,6]C[6]O)2(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	114.9080	0.174	2	114.7815	0.048	4	113.8886	1.303	7	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	111.1440	0.000	1	111.1440	0.000	1	111.9961	3.248	9	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2	C[4,6](C[4,6]C[4]C[6]Cl)(C[4]C[4]ClH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]Cl)(C[4]C[4]ClH)(C[6]C[6]HH)(H){1|C<4>,6|H<1>}	111.2265	1.491	2	111.2265	2.224	2	111.9961	3.248	9	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]BrC)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]BrC)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	112.0105	4.034	2	112.0105	16.274	2	111.9961	3.248	9	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	111.0560	0.000	1	111.0560	0.000	1	111.9961	3.248	9	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	113.5920	0.000	1	113.5920	0.000	1	111.9961	3.248	9	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]O)(C[4]C[4]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]O)(C[4]C[4]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<3>,5|H<1>}	113.4350	0.000	1	113.4350	0.000	1	111.9961	3.248	9	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]O[6]HH)(H)2	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	112.2640	0.000	1	112.2640	0.000	1	111.9961	3.248	9	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:N[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]N[4,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]N[4,6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[4,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	104.5490	0.000	1	104.5490	0.000	1	104.5490	0.000	1	112.5562	8.224	38	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:O[4]-2:	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[4,6]HH)(H)2	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(O[4]C[4])	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[4,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[4,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(O[4]C[4]){1|C<4>,1|O<1>,4|H<1>}	112.0650	0.048	2	112.0650	0.002	2	112.0650	0.002	2	111.9115	1.470	13	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[4,6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HS)(C[6]C[6]HH)(OH)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]HH)(H)2{1|S<4>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[4,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HS)(C[6]C[6]HH)(OH){1|C<4>,6|H<1>}	113.2790	0.000	1	113.2790	0.000	1	113.2790	0.000	1	111.9115	1.470	13	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[4]-4:C[6]-4:O[4]-2:	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2	C[4,6](C[6]C[5,6]HH)(C[4]C[4]HH)(C[6]C[6]HH)(O[4]C[4])	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[4,6](C[6]C[5,6]HH)(C[4]C[4]HH)(C[6]C[6]HH)(O[4]C[4]){1|O<1>,2|C<4>,3|H<1>}	112.4030	0.000	1	112.4030	0.000	1	112.4030	0.000	1	111.9115	1.470	13	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[3,4,6]C[6]H)(C[4,6]C[3,4,6]O[6]H)(C[6]C[6]HH)(OH)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[3,4,6]C[6]H)(C[4,6]C[3,4,6]O[6]H)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,4|H<1>}	112.1020	0.000	1	112.1020	0.000	1	112.1838	1.015	5	111.9115	1.470	13	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HH)(OH)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,4|H<1>}	113.2290	0.000	1	113.2290	0.000	1	112.1838	1.015	5	111.9115	1.470	13	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HH)(OH)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	111.2055	0.245	2	111.2055	0.060	2	112.1838	1.015	5	111.9115	1.470	13	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]S)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HH)(OH)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]S)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	113.1770	0.000	1	113.1770	0.000	1	112.1838	1.015	5	111.9115	1.470	13	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HS)(C[6]C[6]HH)(OH)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)2{1|S<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HS)(C[6]C[6]HH)(OH){1|C<4>,6|H<1>}	113.0210	0.000	1	113.0210	0.000	1	113.0210	0.000	1	111.9115	1.470	13	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:O[4]-2:	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4]C[4]CH)(C[6]C[6]HH)2(O[4]C[4])	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4]C[4]CH)(C[6]C[6]HH)2(O[4]C[4]){1|C<4>,1|O<1>,4|H<1>}	110.5345	1.575	2	110.5345	2.480	2	110.5345	2.480	2	111.9115	1.470	13	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]CH)(C[6]C[6]HO)(OH)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]CH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,2|H<1>}	110.0290	0.000	1	110.0290	0.000	1	110.0290	0.000	1	111.9115	1.470	13	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:3:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[4]-4:C[6]-4:C[4]-3:	C[6](C[4,6]C[4]2C[6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2	C[4,6](C[6]C[6,6]HH)(C[4]O[4]CH)(C[6]C[6]HH)(C[4]O[4]O)	C[6](C[4,6]C[4]2C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[4,6](C[6]C[6,6]HH)(C[4]O[4]CH)(C[6]C[6]HH)(C[4]O[4]O){2|C<4>,3|H<1>}	112.0020	1.625	2	112.0020	2.640	2	112.0020	2.640	2	111.6027	1.001	6	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:3:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[6]-4:C[6]-4:C[4]-3:	C[6](C[4,6]C[4,5,6]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[5,5,6]C[5,6]C[4])(C[6]C[6]HH)2(C[4]C[4]O)	C[6](C[4,6]C[4,5,6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,5,6]C[5,5,6]C[5,6]C[4])(C[6]C[6]HH)2(C[4]C[4]O){1|O<1>,4|C<4>,7|H<1>}	111.5335	0.073	2	111.5335	0.005	2	111.5335	0.005	2	111.6027	1.001	6	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:3:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:C[4]-3:	C[6](C[4,6]C[4]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(C[4]C[4]O)	C[6](C[4,6]C[4]2C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(C[4]C[4]O){2|C<4>,5|H<1>}	111.2725	1.346	2	111.2725	1.811	2	111.2725	1.811	2	111.6027	1.001	6	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:C-4:	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5]N)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	C[4,6](C[4,5]C[4,5]C[5]N)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	113.1420	0.000	1	113.1420	0.000	1	113.1420	0.000	1	112.4394	1.005	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[6]-4:C[6]-4:	C[6](C[4,6]C[4,5]C[4]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]O[5]H)(C[4]C[4,5]HH)(C[6]C[6]HH)2	C[6](C[4,6]C[4,5]C[4]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[4,6](C[4,5]C[4,5]O[5]H)(C[4]C[4,5]HH)(C[6]C[6]HH)2{1|B<3>,1|C<3>,2|C<4>,4|H<1>}	111.3865	0.528	2	111.3865	0.279	2	111.3865	0.279	2	112.4394	1.005	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:C-4:	C[6](C[4,6]C[4,6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]O)2(C[6]C[6]HH)(CH3)	C[6](C[4,6]C[4,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]O)2(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,6|H<1>}	112.9920	0.000	1	112.9920	0.000	1	112.9920	0.000	1	112.4394	1.005	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:C-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]O)(C[4]C[4]HH)(C[6]C[6]HH)(CH3)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]O)(C[4]C[4]HH)(C[6]C[6]HH)(CH3){1|S<4>,2|C<4>,4|H<1>}	113.2900	0.000	1	113.2900	0.000	1	113.2900	0.000	1	112.4394	1.005	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:2:1:	4:4:2:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H){1|O<2>,2|C<4>,4|H<1>}	114.1993	0.918	3	114.6287	1.299	4	114.4618	0.712	9	114.4618	0.712	9	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:2:1:	4:4:2:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H){1|O<2>,2|C<4>,4|H<1>}	115.9170	0.000	1	114.6287	1.299	4	114.4618	0.712	9	114.4618	0.712	9	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:2:1:	4:4:2:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H)	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H){1|O<2>,2|C<4>,4|H<1>}	114.3282	0.632	5	114.3282	0.400	5	114.4618	0.712	9	114.4618	0.712	9	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:2:1:	4:4:4:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[4,6]-4:C[4]-4:C[6]-4:C-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]HH)(CH3)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,7|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	107.3410	0.000	1	107.3410	0.000	1	108.0755	1.042	4	108.0755	1.042	4	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:2:1:	4:4:4:4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[4,6]-4:C[4]-4:C[6]-4:C-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HH)(CH3)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,7|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.3203	1.097	3	108.3203	1.204	3	108.0755	1.042	4	108.0755	1.042	4	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:4:1:	3:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	N[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]ClC)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(Cl)	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:4:1:	4:4:3:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]O)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]O)(H){3|C<4>,4|H<1>}	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:4:1:	4:4:4:3:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[4]-4:C[6]-4:C[6]-4:C[4]-3:	C[6](C[4,6]C[4]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(C[4]C[4]O)	C[6](C[4,6]C[4]2C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(C[4]C[4]O){2|C<4>,5|H<1>}	111.4295	0.506	2	111.4295	0.256	2	111.4295	0.256	2	111.4295	0.256	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:4:2:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[4,6]-4:C[4]-4:C[6]-4:Cl-1:	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]CO)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HH)(Cl)	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]CO)(H)2{2|C<4>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HH)(Cl){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	115.1395	0.848	2	115.1395	0.719	2	115.1395	0.719	2	115.1395	0.719	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3)	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[4]C[4]CO)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[4]C[4]CO)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	112.8280	0.268	3	112.8280	0.072	3	112.8280	0.072	3	112.2164	0.746	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CC)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|C<2>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]HH)(H){1|O<1>,5|C<4>}	111.2990	0.181	2	111.2990	0.033	2	111.2990	0.033	2	112.2164	0.746	5	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:2:1:1:	4:4:3:2:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:N[4]-3:C-2:	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(O[6]C[6])(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HO)(N[4]C[4]C)(CC)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[4,6]HO)(O[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HO)(N[4]C[4]C)(CC){1|O<1>,1|O<2>,4|H<1>}	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:2:4:1:	4:4:3:2:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[4,6]-4:C[6]-4:N[4]-3:C-2:	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H)	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HO)(N[4]C[4]C)(CC)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HO)(N[4]C[4]C)(CC){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	114.9320	0.000	2	114.9320	0.000	2	114.9320	0.000	2	114.9320	0.000	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:3:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2	C[4,6](C[4,5]C[4,5,5]C[5]C)(C[4,6]C[4,5,5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C[4,6](C[4,5]C[4,5,5]C[5]C)(C[4,6]C[4,5,5]C[6]H)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,5|H<1>}	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:3:2:1:	4:4:4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HO)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	109.2830	1.376	2	109.2830	1.893	2	109.2830	1.893	2	109.2830	1.893	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HO)(OH)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	110.1730	0.000	1	110.1730	0.000	1	111.6820	4.554	2	110.6255	1.938	8	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HO)(OS)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HO)(OS){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	113.1910	0.000	1	113.1910	0.000	1	111.6820	4.554	2	110.6255	1.938	8	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HO)(OH)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	110.5990	0.346	2	110.5990	0.120	2	109.9313	1.397	3	110.6255	1.938	8	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HO)(OH)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,4|H<1>}	108.5960	0.000	1	108.5960	0.000	1	109.9313	1.397	3	110.6255	1.938	8	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]CH)(C[6]C[6]HO)(OH)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]CH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,2|H<1>}	110.6153	1.127	3	110.6153	1.270	3	110.6153	1.270	3	110.6255	1.938	8	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H)	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(O[4]C[4])(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(O[4]C[4])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.0782	0.280	4	110.0782	0.078	4	110.0782	0.078	4	110.0782	0.078	4	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:4:2:1:	4:4:3:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H)	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(C[4]C[4]O)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(C[4]C[4]O)(H){1|C<4>,1|O<2>,3|H<1>}	112.0640	0.004	2	112.0640	0.000	2	112.0640	0.000	2	112.0640	0.000	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]ClH)(C[6]C[6]HO)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]ClH)(C[6]C[6]HO)(H){1|Cl<1>,1|C<4>,2|O<2>,3|H<1>}	111.7220	0.182	2	111.7220	0.033	2	111.7220	0.033	2	111.7220	0.033	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:2:1:	4:4:4:4:	4:4:4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[4]C[4]HH)(C[6]C[6]HO)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2{2|H<1>,3|C<4>}	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[4]C[4]HH)(C[6]C[6]HO)(H){1|O<2>,3|H<1>,6|C<4>}	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:3:1:	4:4:1:1:	4:4:3:1:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[4,6]-3:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[4,6]C[6a]H)(H)2	C[4,6](C[4]C[6a]C[4]O)(C[6]C[6a]C[6]H)(C[4,6]C[4]C[6])(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[4,6]C[6a]H)(H)2{1|C<4>,3|H<1>,7|C<3>}	C[4,6](C[4]C[6a]C[4]O)(C[6]C[6a]C[6]H)(C[4,6]C[4]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	106.4010	0.000	1	106.4010	0.000	1	106.4010	0.000	1	106.4010	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:3:1:	4:4:3:1:	4:3:4:1:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H)	C[4,6](C[4,5,6]C[4,6a]N[5,6]C[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H){1|H<1>,3|C<4>,8|C<3>}	C[4,6](C[4,5,6]C[4,6a]N[5,6]C[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|H<1>,3|C<4>,7|C<3>}	110.2853	3.157	3	110.2853	9.966	3	110.2853	9.966	3	110.2853	9.966	3	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:3:1:	4:4:4:1:	4:3:4:1:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[5]-4:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H)	C[4,6](C[4,5,6]C[4,6a]N[5,6]C[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5]H)(H){2|H<1>,3|C<4>,8|C<3>}	C[4,6](C[4,5,6]C[4,6a]N[5,6]C[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|H<1>,4|C<4>,6|C<3>}	110.1370	0.000	1	110.1370	0.000	1	110.1370	0.000	1	110.1370	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	C[4,6](C[4,6]C[6,6a]C[4]H)(C[4]C[4]HH)(C[6]C[6]CH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[6,6a]C[4]H)(C[4]C[4]HH)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	109.4590	0.000	1	109.4590	0.000	1	109.9910	0.566	2	109.9910	0.566	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	C[4,6](C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(C[6]C[6]CH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	110.5230	0.000	1	110.5230	0.000	1	109.9910	0.566	2	109.9910	0.566	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]CH)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.7285	0.455	2	108.7285	0.207	2	108.7285	0.207	2	108.7285	0.207	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]HS)(C[6]C[6]CH)(OH)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(CH3)(H){1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]HS)(C[6]C[6]CH)(OH){1|C<4>,6|H<1>}	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:4:1:	4:4:4:3:	4:4:4:2:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO)	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC){1|C<3>,2|C<4>,2|H<1>}	111.3935	0.610	2	111.3935	0.372	2	110.6355	0.904	10	110.6355	0.904	10	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:4:1:	4:4:4:3:	4:4:4:2:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC){1|C<3>,2|C<4>,2|H<1>}	110.4460	0.951	8	110.4460	0.904	8	110.6355	0.904	10	110.6355	0.904	10	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC){2|H<1>,3|C<4>}	113.5900	0.000	1	113.5900	0.000	1	113.5900	0.000	1	113.5900	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:4:3:	3:4:4:4:	4:4:3:1:	C[4,6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]C[6]CC)(C[4]C[4]O)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]C[6]CC)(C[4]C[4]O)(H){1|H<1>,2|C<3>,3|C<4>}	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:4:3:	4:4:1:1:	4:3:4:2:	C[4,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[4,6]-3:C[6]-4:O-2:	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2	C[4,6](C[3,4,6]C[3,6]C[4,6]C[3])(C[4,6]C[4,6]C[6])(C[6]C[6]CC)(OH)	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(CH3)(COO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[4,6](C[3,4,6]C[3,6]C[4,6]C[3])(C[4,6]C[4,6]C[6])(C[6]C[6]CC)(OH){1|O<2>,3|C<4>,6|H<1>}	106.5185	0.282	2	106.5185	0.080	2	106.5185	0.080	2	106.5185	0.080	2	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	C[4,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HO)(C[6]C[6]CC)(H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HO)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	104.9380	0.000	1	104.9380	0.000	1	104.9380	0.000	1	104.9380	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6]	C[6]	C[4,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[4,6]CC)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]C)(C[6]C[6]CC)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]C)(C[6]C[6]CC)(H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	111.4819	5.979	194	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6x6]	C[6,6]	C[4,5x6]	4:4:4:1:	4:3:2:2:	4:4:4:3:	C[4,5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[6x6]-4:C[6,6]-3:O-2:O-2:	C[4,4,3x6]-4:C[4,3x6]-4:C[6x6]-4:C-3:	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H)	C[6,6](C[6x6]C[4,5x6]C[6x6]H)(C[6,6]C[4,3x6]O)(OC)2	C[4,5x6](C[4,4,3x6]C[4,4,3x6]C[4,3x6]H)(C[4,3x6]C[4,4,3x6]C[6,6]H)(C[6x6]C[6,6]C[6x6]H)(CCH)	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6x6]C[4,5x6]C[6x6]H)(C[6,6]C[4,3x6]O)(OC)2{1|C<3>,2|H<1>,4|C<4>}	C[4,5x6](C[4,4,3x6]C[4,4,3x6]C[4,3x6]H)(C[4,3x6]C[4,4,3x6]C[6,6]H)(C[6x6]C[6,6]C[6x6]H)(CCH){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	111.4060	0.219	2	111.4060	0.048	2	111.4060	0.048	2	111.4060	0.048	2	111.4060	0.048	2	111.2458	5.902	560
466	466	478	6:SP3_SP3_SP3	C[6x6]	C[6x6]	C[4,5x6]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[4,5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4,5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4,4,3x6]-4:C[4,3x6]-4:C[6x6]-4:C-3:	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H)	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H)	C[4,5x6](C[4,4,3x6]C[4,4,3x6]C[4,3x6]H)(C[4,3x6]C[4,4,3x6]C[6,6]H)(C[6x6]C[6,6]C[6x6]H)(CCH)	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[4,5x6](C[4,4,3x6]C[4,4,3x6]C[4,3x6]H)(C[4,3x6]C[4,4,3x6]C[6,6]H)(C[6x6]C[6,6]C[6x6]H)(CCH){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	106.7330	0.416	2	106.7330	0.173	2	106.7330	0.173	2	106.7330	0.173	2	106.7330	0.173	2	111.2458	5.902	560
466	466	486	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:3:2:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	110.8115	0.852	2	110.1323	1.747	3	110.1323	1.747	3	110.1323	1.747	3	110.1323	1.747	3	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:3:2:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	108.7740	0.000	1	110.1323	1.747	3	110.1323	1.747	3	110.1323	1.747	3	110.1323	1.747	3	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,5,6]	4:4:4:4:	4:4:1:1:	4:4:3:4:	C[3,5,6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	P[3x3,5]-4:B[3,3,6]-4:C[5,6]-3:C[3x6]-4:	C[3x6](C[3,5,6]B[3,3,6]P[3x3,5]C[5,6])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[3,5,6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(B[3,3,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[3x6]C[6,6]3)	C[3x6](C[3,5,6]B[3,3,6]P[3x3,5]C[5,6])(C[6,6]C[3x6]HH)3{3|C<3>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3,5,6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<3>,1|P<4>,2|C<4>,8|H<1>}	C[3,5,6](P[3x3,5]B[3,3,6]C[3,3,6]C[3,5,6])(B[3,3,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[5,6]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|H<1>,7|C<3>}	111.1287	2.555	3	111.1287	6.526	3	111.1287	6.526	3	111.1287	6.526	3	111.1287	6.526	3	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H)	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H){6|C<4>}	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H){3|C<4>,3|O<2>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H){3|H<1>,3|O<2>,5|C<4>}	113.6860	0.000	1	113.6860	0.000	1	113.6860	0.000	1	113.6860	0.000	1	113.6860	0.000	1	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[3x6]	C[6]	C[3,6]	4:4:4:4:	4:2:1:1:	4:4:4:2:	C[3,6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[3x6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH)	C[6](C[3x6]C[3,6]C[3x6]C[6])(O[6]C[6])(H)2	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[3x6]C[3,6]C[3x6]C[6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,6|H<1>}	104.1230	0.000	1	104.1230	0.000	1	104.1230	0.000	1	104.1230	0.000	1	107.9515	29.315	2	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[3x6]	C[6]	C[3,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[3x6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH)	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H)	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|H<1>,5|C<4>}	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,6|H<1>}	111.7800	0.000	1	111.7800	0.000	1	111.7800	0.000	1	111.7800	0.000	1	107.9515	29.315	2	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[4x6]	C[3x6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:2:2:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[4x6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[4x6]-4:C[3,6,6]-4:O[3]-2:O[6]-2:	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6])	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH){1|C<3>,1|O<2>,3|H<1>,8|C<4>}	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[5,3x6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|O<2>,6|H<1>}	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6]){1|C<3>,1|O<2>,6|C<4>,8|H<1>}	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[4x6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:2:1:1:	4:4:2:2:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[4x6]-4:C[3,6,6]-4:O[3]-2:O[6]-2:	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)	C[6,6](C[4x6]C[3,6,6]C[3x6]2)(O[6,6]C[3x6])(H)2	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6])	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH){1|C<3>,1|O<2>,3|H<1>,8|C<4>}	C[6,6](C[4x6]C[3,6,6]C[3x6]2)(O[6,6]C[3x6])(H)2{2|H<1>,3|O<2>,5|C<4>}	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6]){1|C<3>,1|O<2>,6|C<4>,8|H<1>}	111.8610	0.000	1	111.8610	0.000	1	111.8610	0.000	1	111.8610	0.000	1	111.8610	0.000	1	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3]	3:4:4:1:	4:4:3:2:	4:4:4:1:	N[5,6,6]-3:C[3x6]-4:C[3]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:C[3]-4:C[3]-4:H-1:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H)	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C[3](C[6,6]N[5,6,6]C[3x6]H)(C[3]C[3]HH)2(H)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,3|H<1>,4|C<4>}	C[3](C[6,6]N[5,6,6]C[3x6]H)(C[3]C[3]HH)2(H){1|O<2>,2|C<3>,2|C<4>}	114.4380	0.000	1	114.4380	0.000	1	114.4380	0.000	1	114.4380	0.000	1	112.7513	2.723	3	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3]	4:4:4:1:	4:3:3:4:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[3]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:C[3]-4:O[3]-2:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H)	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH)	C[3](C[6,6]C[3x6]2H)(C[3]O[3]CC)(O[3]C[3])(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H){2|H<1>,2|O<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[3](C[6,6]C[3x6]2H)(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>,3|C<4>}	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	112.7513	2.723	3	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[3x6]-4:C[3x6]-4:C[3]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3]-4:O[3]-2:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H)	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	C[3](C[6,6]C[3x6]2H)(C[3]O[3]CC)(O[3]C[3])(H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H){2|H<1>,2|O<1>,6|C<4>}	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[3](C[6,6]C[3x6]2H)(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>,3|C<4>}	112.6760	0.000	1	112.6760	0.000	1	112.6760	0.000	1	112.6760	0.000	1	112.7513	2.723	3	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:3:4:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.4510	0.000	2	110.4510	0.000	2	109.0533	5.860	3	109.0533	5.860	3	109.4020	2.459	10	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:3:4:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	106.2580	0.000	1	106.2580	0.000	1	109.0533	5.860	3	109.0533	5.860	3	109.4020	2.459	10	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:3:4:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[6,6]C[6,6]2C)(C[3]C[3,6]HH)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[6,6]C[6,6]2C)(C[3]C[3,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.4020	2.459	10	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:3:4:1:	4:4:2:1:	C[3x6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H)	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[3x6]C[6,6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H){1|C<3>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[3,6](C[6,6]C[3x6]C[6,6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|C<2>,3|C<4>,3|N<3>,4|H<1>}	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	109.4020	2.459	10	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,5,6]C[5,6]O[3]O[5])(C[6,6]C[3,6,6]C[6,6]H)(O[3]C[3,5,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[3,6](C[3,5,6]C[5,6]O[3]O[5])(C[6,6]C[3,6,6]C[6,6]H)(O[3]C[3,5,6])(H){1|O<2>,2|C<3>,5|C<4>}	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	109.4020	2.459	10	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-3:Cl-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH)	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6,6]C[6,6a]O[6]O)(C[6]N[6]O)(Cl)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6,6]2O)(O[3]C[3,6])(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6,6]C[6,6a]O[6]O)(C[6]N[6]O)(Cl){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6,6]2O)(O[3]C[3,6])(H){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	112.0220	0.000	1	112.0220	0.000	1	112.0220	0.000	1	112.0220	0.000	1	109.4020	2.459	10	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:3:1:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO)	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[3,6](C[6,6]C[3,6,6]C[6,6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[3,6](C[6,6]C[3,6,6]C[6,6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	108.4305	0.046	2	109.4020	2.459	10	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.4305	0.046	2	109.4020	2.459	10	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.4020	2.459	10	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,3x6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH)	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]CC)(H)2	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]CC)(H)2{2|O<2>,4|C<4>,5|H<1>}	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3){11|H<1>,1|O<1>,2|O<2>,3|C<4>}	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	109.4540	11.338	2	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,3x6]	4:4:4:4:	4:4:2:1:	4:4:4:4:	C[3,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH)	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H)	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>,6|H<1>}	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3){11|H<1>,1|O<1>,2|O<2>,3|C<4>}	111.8350	0.000	1	111.8350	0.000	1	111.8350	0.000	1	111.8350	0.000	1	109.4540	11.338	2	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[3,5,6](C[6,6]C[6,6]C[6]H)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[3,5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]H)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	111.9475	0.818	4	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,5,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	111.9475	0.818	4	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	111.9760	0.000	1	111.9210	0.006	2	111.9210	0.006	2	111.9210	0.006	2	111.9475	0.818	4	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,5,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	111.8660	0.000	1	111.9210	0.006	2	111.9210	0.006	2	111.9210	0.006	2	111.9475	0.818	4	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:3:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:3:4:2:	4:4:1:1:	4:4:4:3:	C[3,6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6,6]-3:	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:3:4:4:	4:2:4:1:	4:4:4:2:	C[3,6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H)	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	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[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	118.7360	0.000	1	118.7360	0.000	1	118.7360	0.000	1	118.7360	0.000	1	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:3:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.4202	0.457	4	109.4202	0.208	4	109.4202	0.208	4	109.4202	0.208	4	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]O[6]O)(H)2	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	111.1400	0.000	1	111.1400	0.000	1	112.7820	2.046	3	112.7820	2.046	3	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]O[6]O)(H)2	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	113.6030	0.219	2	113.6030	0.048	2	112.7820	2.046	3	112.7820	2.046	3	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,9|H<1>}	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	108.2780	0.000	1	108.2780	0.000	1	108.2780	0.000	1	108.2780	0.000	1	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|C<4>,7|H<1>}	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[3,6]2O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[3,6,6](C[3,6,6]C[3,6]2O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	112.0350	0.000	1	112.0350	0.000	1	111.9560	0.006	3	111.8023	5.377	7	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	111.9490	0.000	1	111.9490	0.000	1	111.9560	0.006	3	111.8023	5.377	7	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	111.8840	0.000	1	111.8840	0.000	1	111.9560	0.006	3	111.8023	5.377	7	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6])	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6]){2|O<2>,4|C<4>,7|H<1>}	107.7160	0.000	1	107.7160	0.000	1	107.7160	0.000	1	111.8023	5.377	7	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{2|O<2>,3|C<3>,3|C<4>}	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<4>,3|C<3>,3|O<2>,7|H<1>}	115.7190	0.000	1	115.7190	0.000	1	115.7190	0.000	1	111.8023	5.377	7	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,5|H<1>,6|C<4>}	111.4350	0.000	1	111.6565	0.098	2	111.6565	0.098	2	111.8023	5.377	7	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){5|C<4>,8|H<1>}	111.8780	0.000	1	111.6565	0.098	2	111.6565	0.098	2	111.8023	5.377	7	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	110.4510	0.000	1	110.4510	0.000	1	110.3963	0.049	6	110.3963	0.049	6	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	110.1710	0.000	1	110.4387	0.061	4	110.3963	0.049	6	110.3963	0.049	6	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	110.5280	0.209	3	110.4387	0.061	4	110.3963	0.049	6	110.3963	0.049	6	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	110.1720	0.000	1	110.1720	0.000	1	110.3963	0.049	6	110.3963	0.049	6	111.2179	6.148	28	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:3:4:1:	4:3:1:1:	4:4:4:1:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6,6]C[3,6]N[6,6]H)(N[6]C[6]S)(H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6,6]N[6,6]C[6]H)(C[3]C[3,6]HH)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6]N[6,6]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6,6]N[6,6]C[6]H)(C[3]C[3,6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	112.0320	0.000	1	112.0320	0.000	1	112.0320	0.000	1	112.0320	0.000	1	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]H)(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,4|H<1>}	109.2930	0.000	1	109.2930	0.000	1	109.2930	0.000	1	108.8160	0.455	2	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:2:1:	C[3x6]-4:C[3,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H)	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|C<2>,2|C<4>,3|N<3>,5|H<1>}	108.3390	0.000	1	108.3390	0.000	1	108.3390	0.000	1	108.8160	0.455	2	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[3]-4:C-4:	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6]Br2)(CH3)	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2{3|H<1>,5|C<4>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6]Br2)(CH3){1|N<3>,2|C<4>,5|H<1>}	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(H)	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	109.8060	1.544	2	109.8060	2.385	2	109.8060	2.385	2	111.0419	1.864	8	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])(H){2|H<1>,6|C<4>}	110.6910	0.000	1	110.6910	0.000	1	110.6910	0.000	1	111.0419	1.864	8	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){4|C<4>,4|H<1>}	111.5588	1.396	4	111.5588	1.950	4	111.6064	1.474	5	111.0419	1.864	8	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){4|C<4>,4|H<1>}	111.7970	0.000	1	111.7970	0.000	1	111.6064	1.474	5	111.0419	1.864	8	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:O[3]-2:C-4:	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[3,6](C[3,5,6]C[5,6,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,5,6])(CH3)	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[3,5,6]C[5,6,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,5,6])(CH3){2|O<2>,4|H<1>,5|C<4>}	110.0870	0.000	1	110.0870	0.000	1	110.0870	0.000	1	110.0870	0.000	1	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[6,6]C[3]C)(C[6,6]C[3x6]C[6]H)(C[3]C[3,6]Br2)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){2|Br<1>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]C[3]C)(C[6,6]C[3x6]C[6]H)(C[3]C[3,6]Br2)(H){4|C<4>,4|H<1>}	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){4|C<4>,4|H<1>}	115.3285	0.223	2	115.3285	0.050	2	115.3285	0.050	2	115.3285	0.050	2	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CHHO)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CHHO){1|O<2>,3|C<4>,4|H<1>}	112.7050	0.000	1	112.7050	0.000	1	112.7050	0.000	1	112.7050	0.000	1	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){2|C<3>,3|H<1>,6|C<4>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H){2|H<1>,2|O<2>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){2|O<2>,3|C<4>,3|H<1>}	109.7400	0.000	1	109.7400	0.000	1	109.7400	0.000	1	109.7400	0.000	1	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,7|C<4>}	112.7310	0.000	1	112.7310	0.000	1	112.7310	0.000	1	112.7310	0.000	1	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Br<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(H){1|C<3>,2|H<1>,5|C<4>}	111.3905	0.216	2	111.3905	0.047	2	111.1358	0.103	4	111.1358	0.103	4	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Cl<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(H){1|C<3>,2|H<1>,5|C<4>}	110.8810	0.038	2	110.8810	0.001	2	111.1358	0.103	4	111.1358	0.103	4	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:2:	4:3:1:1:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC)	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.1490	0.000	1	111.1490	0.000	1	110.9480	0.081	2	110.9480	0.081	2	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:2:	4:3:1:1:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	110.7470	0.000	1	110.7470	0.000	1	110.9480	0.081	2	110.9480	0.081	2	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:2:	4:3:2:1:	4:4:4:2:	C[5,3x6]-4:C[3,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[3]-4:O[3]-2:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH)	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H)	C[3,6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(C[3]O[3]HH)(O[3]C[3])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH){1|O<1>,3|C<4>,3|O<2>,7|H<1>}	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H){1|O<2>,5|C<4>}	C[3,6](C[6,6]C[5,3x6]C[6]O)(C[6]C[5,6]HO)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6]O)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6]O)(O[3]C[3,6])(H){1|C<3>,3|H<1>,4|C<4>}	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	109.8883	5.044	3	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>,3|O<2>}	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	108.0100	0.000	1	108.0100	0.000	1	108.6445	0.805	2	109.8883	5.044	3	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH){3|H<1>,4|C<4>}	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<4>,2|O<2>,4|H<1>}	109.2790	0.000	1	109.2790	0.000	1	108.6445	0.805	2	109.8883	5.044	3	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:4:	4:3:1:1:	4:4:2:1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	109.6640	0.000	1	109.9517	0.257	3	109.9517	0.257	3	109.9517	0.257	3	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:4:	4:3:1:1:	4:4:2:1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	110.0955	0.624	2	109.9517	0.257	3	109.9517	0.257	3	109.9517	0.257	3	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|N<3>,2|C<4>,5|H<1>}	109.8940	0.000	1	109.8940	0.000	1	109.8940	0.000	1	109.8940	0.000	1	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){3|C<4>,5|H<1>}	113.6265	0.194	2	113.6265	0.038	2	112.0510	7.466	3	112.0510	7.466	3	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HO)(H)2	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){3|C<4>,5|H<1>}	108.9000	0.000	1	108.9000	0.000	1	112.0510	7.466	3	112.0510	7.466	3	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	112.7820	0.000	1	112.7820	0.000	1	112.7047	0.375	3	112.7047	0.375	3	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	113.2750	0.000	1	113.2750	0.000	1	112.7047	0.375	3	112.7047	0.375	3	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	112.0570	0.000	1	112.0570	0.000	1	112.7047	0.375	3	112.7047	0.375	3	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,5,6])(H)	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,5,6])(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	111.1801	3.232	40	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6,6]	C[6]	C[3]	4:2:4:3:	4:3:1:1:	4:4:4:1:	C[6]-4:O[6,6]-2:C[3]-4:C[6]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[3]-4:C[3]-4:H-1:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[3]C[3]2H)(C[6]C[6]H)	C[6](C[6,6]O[6,6]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[3](C[6,6]O[6,6]C[6]2)(C[3]C[3]HH)2(H)	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[3]C[3]2H)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]O[6,6]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[3](C[6,6]O[6,6]C[6]2)(C[3]C[3]HH)2(H){1|C<4>,2|C<3>,3|H<1>}	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6,6]	C[3]	4:4:2:1:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[3]-4:O[6]-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[3]-4:C[3]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3]2H)(O[6]C[6])(H)	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[3](C[6]C[6,6]O[6]H)(C[3]C[3]HH)(C[3]C[3]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3]2H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[3]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[3](C[6]C[6,6]O[6]H)(C[3]C[3]HH)(C[3]C[3]C)(H){1|H<1>,3|C<4>}	114.0000	0.243	2	114.0000	0.059	2	114.0000	0.059	2	114.0000	0.059	2	113.4578	7.799	5	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6,6]	C[3]	4:4:3:1:	4:3:4:4:	4:4:4:1:	C[6,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-4:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[6](C[6,6]C[6]3)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6,6](C[6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]HO)	C[3](C[6]C[6,6]C[6]H)(C[3]C[3]HH)2(H)	C[6](C[6,6]C[6]3)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,7|H<1>}	C[6,6](C[6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]HO){2|C<4>,3|C<3>,4|H<1>}	C[3](C[6]C[6,6]C[6]H)(C[3]C[3]HH)2(H){1|H<1>,2|C<3>,2|C<4>}	115.3350	0.296	2	115.3350	0.087	2	115.3350	0.087	2	115.3350	0.087	2	113.4578	7.799	5	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6,6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[3]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6]C[6]H)(H){1|C<3>,4|H<1>,6|C<4>}	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	113.4578	7.799	5	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3,5]	4:4:4:2:	4:4:1:1:	4:4:2:3:	C[3,5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[6]-4:O[3]-2:C[5]-3:	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH)	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[6]C[6]2O)(O[3]C[3,5])(C[5]C[5]O)	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[6]C[6]2O)(O[3]C[3,5])(C[5]C[5]O){4|C<4>,6|H<1>}	113.5760	0.000	1	113.5760	0.000	1	113.5760	0.000	1	113.5760	0.000	1	109.5335	32.684	2	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3,5]	4:4:4:2:	4:4:4:1:	4:4:2:3:	C[3,5]-4:C[6]-4:C[6]-4:O-2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[6]-4:O[3]-2:C[5]-3:	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[6]C[6]2O)(O[3]C[3,5])(C[5]C[5]O)	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[6]C[6]2O)(O[3]C[3,5])(C[5]C[5]O){4|C<4>,6|H<1>}	105.4910	0.000	1	105.4910	0.000	1	105.4910	0.000	1	105.4910	0.000	1	109.5335	32.684	2	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	3:4:4:2:	3:4:4:2:	4:4:2:1:	C[6,6a]-3:C[3,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN)	C[3,6](C[6]C[6,6a]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[3,6](C[6]C[6,6a]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	107.3085	0.692	2	107.3085	0.479	2	107.3085	0.479	2	107.3085	0.479	2	109.6371	13.924	8	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:3:4:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6])	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,4|C<4>,7|H<1>}	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6]){3|H<1>,6|C<4>}	107.0590	1.271	2	107.0590	1.616	2	107.0590	1.616	2	107.0590	1.616	2	109.6371	13.924	8	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:2:	4:4:1:1:	4:4:4:3:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,4|C<3>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	108.9510	0.000	1	108.9510	0.000	1	110.1690	1.425	3	110.1690	1.425	3	109.6371	13.924	8	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:2:	4:4:1:1:	4:4:4:3:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2{1|I<1>,2|C<3>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){1|I<1>,2|C<3>,3|C<4>,4|H<1>}	110.7780	0.791	2	110.7780	0.625	2	110.1690	1.425	3	110.1690	1.425	3	109.6371	13.924	8	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:3:4:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H)	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H){2|C<3>,2|S<4>,3|C<4>,5|H<1>}	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H){1|C<4>,2|C<3>,2|N<3>,7|H<1>}	117.8550	0.000	1	117.8550	0.000	1	117.8550	0.000	1	117.8550	0.000	1	109.6371	13.924	8	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	2:4:4:1:	4:4:4:4:	4:4:4:1:	O[6]-2:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3)	C[3](C[6]C[6]O[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[3](C[6]C[6]O[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<3>,3|C<4>}	116.0080	0.000	1	116.0080	0.000	1	116.0080	0.000	1	116.0080	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:2:4:1:	4:4:1:1:	4:4:2:1:	C[3]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:O[3]-2:H-1:	C[6](C[3]C[3]O[3]H)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6](C[6]C[3]O[6]H)(C[6]C[6,6a]HH)(H)2	C[3](C[6]C[6]O[6]H)(C[3]O[3]HH)(O[3]C[3])(H)	C[6](C[3]C[3]O[3]H)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,4|H<1>}	C[6](C[6]C[3]O[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3](C[6]C[6]O[6]H)(C[3]O[3]HH)(O[3]C[3])(H){1|C<3>,1|C<4>,2|H<1>}	115.5140	0.000	1	115.5140	0.000	1	115.5140	0.000	1	115.5140	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[3]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[3]C[6]C)(C[6]C[6,6]HH)(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(H)	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C[6](C[6]C[3]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(H){1|C<3>,1|C<4>,3|H<1>}	109.4835	1.345	4	109.4835	1.809	4	109.4835	1.809	4	109.4835	1.809	4	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:2:1:	4:2:1:1:	4:4:3:1:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[3]-4:N[3]-3:H-1:	C[6](C[3]C[3]N[3]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[6](C[6]C[3]O[6]H)(O[6]C[6])(H)2	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]S)(H)	C[6](C[3]C[3]N[3]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[3]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[3](C[6]C[6]O[6]H)(C[3]N[3]HH)(N[3]C[3]S)(H){1|C<4>,1|O<2>,2|H<1>}	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:O[3]-2:H-1:	C[6](C[3]C[3]O[3]H)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6](C[6]C[3]O[6]H)(C[6]C[6,6]HH)(H)2	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[6](C[3]C[3]O[3]H)(C[6]C[6]HH)(O[6]C[6,6])(H){3|H<1>,4|C<4>}	C[6](C[6]C[3]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(H){2|C<4>,2|H<1>}	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[3]O[6]H)(C[6]C[6]HH)(H)2	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,5|H<1>}	C[6](C[6]C[3]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(CH3){2|C<4>,2|H<1>}	113.5820	0.000	1	113.5820	0.000	1	113.5820	0.000	1	113.5820	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:2:2:	4:4:1:1:	4:4:4:1:	C[3]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]HH)(O[6]O[6])(OH)	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2	C[3](C[6]C[6]O[6]O)(C[3]C[3]HH)2(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)(O[6]O[6])(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3](C[6]C[6]O[6]O)(C[3]C[3]HH)2(H){1|C<4>,1|O<2>,2|H<1>}	112.5210	0.000	1	112.5210	0.000	1	112.5210	0.000	1	112.5210	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:3:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)(H)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H){1|C<4>,2|H<1>,6|C<3>}	114.3455	2.628	2	114.3455	6.908	2	114.3455	6.908	2	114.3455	6.908	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:3:1:	4:4:3:3:	4:4:4:1:	C[6]-4:C[3]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:C-3:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6](C[6]C[5,6]CC)(C[3]C[3]2H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)2	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CC)(C[3]C[3]2H)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]H)(COO)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(C[6]C[6]2H)(H){1|C<4>,1|H<1>,7|C<3>}	114.2770	0.000	1	114.2770	0.000	1	114.2770	0.000	1	114.2770	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:3:2:	4:4:3:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[6,6]CH)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2O)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[6,6]CH)(C[6]C[6]C)(OH){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[3](C[3]O[3]CH)(C[6]C[6]2O)(O[3]C[3])(CH3){1|H<1>,2|C<3>,2|C<4>}	113.0973	0.938	3	113.0973	0.880	3	113.0973	0.880	3	113.0973	0.880	3	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	3:4:4:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-3:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3])(C[6]C[3]C[6]H)(CC3)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3])(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){1|C<3>,2|C<4>,3|H<1>}	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:3:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[6]-4:N[3]-3:C-4:	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]O)(H)2	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3)	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]O)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3){1|C<3>,1|C<4>,4|H<1>}	111.1705	0.142	2	111.1705	0.020	2	111.1705	0.020	2	111.1705	0.020	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[3]C[6]H)(C[6]N[6]O)(H)2	C[3](C[3]C[3]HH)2(C[6]C[6]2H)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]N[6]O)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[3](C[3]C[3]HH)2(C[6]C[6]2H)(H){1|C<3>,1|C<4>,4|H<1>}	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	112.1170	0.443	3	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]H)(H)2	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[3]C[3]2H)(C[6]C[6]HH)(H){2|H<1>,3|C<3>,5|C<4>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.7400	0.181	2	111.7400	0.033	2	111.7400	0.033	2	112.1170	0.443	3	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]H)(H)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CH3)	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){2|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CH3){2|C<3>,4|H<1>}	113.1140	0.000	1	113.1140	0.000	1	112.5705	0.591	2	112.5705	0.591	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]O)(H)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CH3)	C[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){2|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CH3){2|C<3>,4|H<1>}	112.0270	0.000	1	112.0270	0.000	1	112.5705	0.591	2	112.5705	0.591	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H)	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	107.0930	0.000	1	107.0930	0.000	1	107.0930	0.000	1	107.0930	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH){3|C<4>,3|H<1>}	108.2080	0.000	1	108.2080	0.000	1	108.2080	0.000	1	111.5733	4.622	7	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){1|C<3>,2|C<4>,3|H<1>}	111.2460	0.000	1	112.2082	4.808	4	112.1342	2.904	6	111.5733	4.622	7	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	111.0930	0.904	2	112.2082	4.808	4	112.1342	2.904	6	111.5733	4.622	7	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	115.4010	0.000	1	112.2082	4.808	4	112.1342	2.904	6	111.5733	4.622	7	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH){3|C<4>,3|H<1>}	112.1050	0.000	1	111.9860	0.028	2	112.1342	2.904	6	111.5733	4.622	7	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH){3|C<4>,3|H<1>}	111.8670	0.000	1	111.9860	0.028	2	112.1342	2.904	6	111.5733	4.622	7	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:3:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:N[3]-3:C-4:	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3)	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[3](C[3]N[3]HH)(C[6]C[6]2H)(N[3]C[3]S)(CH3){1|C<3>,1|C<4>,4|H<1>}	112.6090	0.361	2	112.6090	0.130	2	112.6090	0.130	2	112.6090	0.130	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[3]C[6]H)(C[6]N[6]CH)(H)2	C[3](C[3]C[3]HH)2(C[6]C[6]2H)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]N[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[3](C[3]C[3]HH)2(C[6]C[6]2H)(H){1|C<3>,1|C<4>,4|H<1>}	111.6150	0.000	1	111.6150	0.000	1	111.6150	0.000	1	111.6150	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH){3|C<4>,3|H<1>}	113.4740	0.000	1	113.4740	0.000	1	113.4550	0.001	2	113.4550	0.001	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Cl<1>,2|C<4>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH){3|C<4>,3|H<1>}	113.4360	0.000	1	113.4360	0.000	1	113.4550	0.001	2	113.4550	0.001	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:2:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){2|C<4>,2|H<1>,2|O<2>}	112.3550	0.000	1	112.3550	0.000	1	114.2825	7.431	2	113.1280	7.714	3	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:2:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HO)2(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){2|C<4>,2|H<1>,2|O<2>}	116.2100	0.000	1	116.2100	0.000	1	114.2825	7.431	2	113.1280	7.714	3	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:2:1:	4:4:2:4:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[3]-4:O[3]-2:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H)	C[3](C[6]C[5,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[3]C[3]O[3]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3](C[6]C[5,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])(CH3){1|O<2>,2|H<1>,3|C<4>}	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	113.1280	7.714	3	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[3]-4:C[3]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H)	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[3]C[3]2H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3](C[6]C[5,6]C[6]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	114.6843	1.194	6	114.6843	1.426	6	114.6843	1.426	6	114.6843	1.426	6	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	116.0980	0.000	1	116.0980	0.000	1	115.7666	18.680	5	115.9352	15.115	6	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	118.7495	0.209	2	118.7495	0.044	2	115.7666	18.680	5	115.9352	15.115	6	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH){3|C<4>,3|H<1>}	116.9160	0.000	1	112.6180	36.946	2	115.7666	18.680	5	115.9352	15.115	6	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH){3|C<4>,3|H<1>}	108.3200	0.000	1	112.6180	36.946	2	115.7666	18.680	5	115.9352	15.115	6	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H)	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H){2|H<1>,2|O<2>,4|C<4>}	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH){3|C<4>,3|H<1>}	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	115.9352	15.115	6	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6]C[6]H)(H){1|C<3>,4|H<1>,6|C<4>}	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,5|C<4>}	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH){3|C<4>,3|H<1>}	116.0040	0.000	1	116.0040	0.000	1	116.2605	0.132	2	116.2605	0.132	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C-4:	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Cl<1>,2|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,5|C<4>}	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(C[6]C[6]2H)(CCHH){3|C<4>,3|H<1>}	116.5170	0.000	1	116.5170	0.000	1	116.2605	0.132	2	116.2605	0.132	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:2:	4:3:1:1:	4:4:4:1:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH)	C[6](C[6]C[3]C[6]O)(N[6]C[6]S)(H)2	C[3](C[3]C[3]HH)2(C[6]C[6]2O)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH){1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[6](C[6]C[3]C[6]O)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	C[3](C[3]C[3]HH)2(C[6]C[6]2O)(H){1|C<4>,1|N<3>,4|H<1>}	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	108.5180	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH)	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2	C[3](C[3]C[3]HH)2(C[6]C[6]2O)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH){1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[3](C[3]C[3]HH)2(C[6]C[6]2O)(H){1|C<4>,1|N<3>,4|H<1>}	110.6260	0.000	1	110.6260	0.000	1	110.6260	0.000	1	110.6260	0.000	1	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:2:	4:4:1:1:	4:4:4:3:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[6]-4:C-3:	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6]C[6]2O)(COO)	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2{1|C<3>,2|H<1>,8|C<4>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6]C[6]2O)(COO){5|C<4>,6|H<1>}	105.1660	0.349	2	105.1660	0.122	2	105.1660	0.122	2	105.1660	0.122	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:2:	4:4:4:1:	4:4:4:3:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[3,5]-4:C[6]-4:C-3:	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6]C[6]2O)(COO)	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H){1|C<3>,2|H<1>,5|C<4>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[6]C[6]2O)(COO){5|C<4>,6|H<1>}	112.7790	2.533	2	112.7790	6.415	2	112.7790	6.415	2	112.7790	6.415	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:3:	4:4:1:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)2(COO)	C[6](C[6]C[3]C[6]C)(C[6]C[6]CO)(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)2(COO){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3]C[6]C)(C[6]C[6]CO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH){2|C<4>,4|H<1>}	111.6490	0.000	1	111.6490	0.000	1	110.1815	4.307	2	110.1815	4.307	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:3:	4:4:1:1:	4:4:2:4:	C[3]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)2(COO)	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH)	C[6](C[3]C[3]O[3]C)(C[6]C[6]HH)2(COO){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH){2|C<4>,4|H<1>}	108.7140	0.000	1	108.7140	0.000	1	110.1815	4.307	2	110.1815	4.307	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	0:SP3_SP3_SP3	C[6]	C[6]	C[3]	4:4:4:3:	4:4:1:1:	4:4:4:1:	C[3]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(CNO)	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]2C)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)2(CNO){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]2C)(H){2|C<3>,2|C<4>,4|H<1>}	110.9265	7.824	2	110.9265	61.217	2	110.9265	61.217	2	110.9265	61.217	2	112.4452	9.590	65	111.5031	7.692	179
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[3,6,6]	4:4:3:1:	4:4:4:1:	4:3:4:2:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|H<1>,3|C<4>}	106.3515	1.150	2	106.5100	0.737	3	106.5100	0.737	3	106.5100	0.737	3	106.5100	0.737	3	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[3,6,6]	4:4:3:1:	4:4:4:1:	4:3:4:2:	C[3,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[3x6]C[3,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|H<1>,3|C<4>}	106.8270	0.000	1	106.5100	0.737	3	106.5100	0.737	3	106.5100	0.737	3	106.5100	0.737	3	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:3:2:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H)	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	112.6220	0.000	1	112.6220	0.000	1	112.4610	0.090	3	112.4610	0.090	3	112.5725	0.110	4	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:3:2:	C[3x6]-4:C[3,6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H)	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H)	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3x6](C[3x6]C[3,6,6]C[6,6]H)(C[3,6]C[3]C[6]O[3])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	112.3805	0.377	2	112.3805	0.142	2	112.4610	0.090	3	112.4610	0.090	3	112.5725	0.110	4	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[3x6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6]-4:C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH)	C[3x6](C[3x6]C[3,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[3x6](C[3,6]C[3]C[6]O[3])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[3x6](C[3x6]C[3,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,6|H<1>}	112.9070	0.000	1	112.9070	0.000	1	112.9070	0.000	1	112.9070	0.000	1	112.5725	0.110	4	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[4x6]	C[3,6,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[3,6,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H)	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H){3|C<4>,4|H<1>}	109.5520	0.598	2	109.5520	0.358	2	109.5520	0.358	2	109.5520	0.358	2	109.5520	0.358	2	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[4x6]	C[3,6]	4:4:4:1:	4:4:2:2:	4:4:2:1:	C[3,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H)	C[4x6](C[3x6]C[3,6]C[6,6]H)(C[3x6]C[6,6]2C)(O[6,6]C[6,6])(OH)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3x6]HO)(H){6|C<4>}	C[4x6](C[3x6]C[3,6]C[6,6]H)(C[3x6]C[6,6]2C)(O[6,6]C[6,6])(OH){2|O<2>,4|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H){3|H<1>,3|O<2>,5|C<4>}	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,3x6]	4:4:2:1:	4:4:2:1:	4:4:4:4:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3,6,6]-4:C[4x6]-4:C[3x6]-4:C[3]-4:	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH)	C[3x6](C[3,3x6]C[3,6,6]C[4x6]C[3])(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[3x6]-4:C[5]-3:	C[3x6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6])	C[3x6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[3x6]C[6,6]2H)(C[5]C[5]C[6]){1|C<3>,5|C<4>,9|H<1>}	109.9465	1.631	2	109.9465	2.661	2	109.9465	2.661	2	109.9465	2.661	2	109.9465	2.661	2	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:3:4:1:	4:4:3:1:	4:4:2:1:	C[3,6,6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[3,6,6]N[5,6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H)	C[3,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3,6,6]N[5,6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3,6,6](C[3x6]N[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){2|C<3>,2|C<4>,2|H<1>}	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[3,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(O[6,6]C[6,6])(H){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	106.9503	2.329	3	106.9503	5.425	3	106.9503	5.425	3	108.1070	6.963	6	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:2:1:	4:2:1:1:	4:4:2:1:	C[3,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(H)2	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|F<1>,2|H<1>}	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]O[6,6]H)(O[3]C[3,6,6])(H){1|C<4>,1|O<2>,3|H<1>}	109.2637	2.823	3	109.2637	7.969	3	109.2637	7.969	3	108.1070	6.963	6	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[3x6]-4:C[5,6,6]-4:O-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[5,6,6]HO)(N[6,6]N[6,6])(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H)	C[3,6,6](C[3,6,6]C[5,3x6]O[3]H)(C[3x6]C[6,6]N[6,6]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[5,6,6]HO)(N[6,6]N[6,6])(H){1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[3,6,6](C[3,6,6]C[5,3x6]O[3]H)(C[3x6]C[6,6]N[6,6]H)(O[3]C[3,6,6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:3:1:	4:4:1:1:	3:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-3:C[3x6]-4:C[3]-4:O[3]-2:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	C[3,6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[3,6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	108.7890	0.069	2	108.7890	0.005	2	108.7890	0.005	2	108.7890	0.005	2	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:3:1:	4:4:1:1:	4:3:4:2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	106.3905	0.520	2	106.3905	0.270	2	106.7300	0.481	3	106.7300	0.481	3	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:3:1:	4:4:1:1:	4:3:4:2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	107.4090	0.000	1	107.4090	0.000	1	106.7300	0.481	3	106.7300	0.481	3	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[3,3x6]-4:C[3x6]-4:O[3]-2:H-1:	C[3x6](C[3,6,6]C[3,3x6]O[3]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	C[3,6,6](C[3,3x6]C[5,4x6]C[6]O[3])(C[3x6]C[6,6]2H)(O[3]C[3,3x6])(H)	C[3x6](C[3,6,6]C[3,3x6]O[3]H)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[3,6,6](C[3,3x6]C[5,4x6]C[6]O[3])(C[3x6]C[6,6]2H)(O[3]C[3,3x6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	103.1865	0.367	2	103.1865	0.135	2	103.1865	0.135	2	103.1865	0.135	2	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[3x6]-4:H-1:	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[3,6,6](C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(C[3x6]C[6,6]2H)(H)	C[3x6](C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CH)(C[3x6]C[6,6]2H)(H){1|C<3>,1|C<4>,4|H<1>}	104.4168	0.591	4	104.4168	0.349	4	104.4168	0.349	4	104.4168	0.349	4	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:3:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[3]-4:O[3]-2:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	C[3,6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]H)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[3,6,6](C[6,6]C[5,4x6]OO)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	109.1460	0.000	1	109.1460	0.000	1	109.1460	0.000	1	109.1460	0.000	1	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:3:4:	4:4:2:1:	4:3:4:2:	C[3,6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:2:1:1:	4:4:2:1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|C<4>,1|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(H){1|F<1>,2|O<2>,4|H<1>}	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	106.7630	5.419	2	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:2:1:1:	4:4:2:1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|C<4>,1|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|C<4>,1|F<1>,2|O<2>,3|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(H){1|F<1>,2|O<2>,4|H<1>}	105.1170	0.000	1	105.1170	0.000	1	105.1170	0.000	1	106.7630	5.419	2	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[3,6,6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[3,6,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)2	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3,6,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]C[4x6]C[6,6]H)(O[3]C[3,6,6])(H){3|C<4>,4|H<1>}	109.4150	0.075	2	109.4150	0.006	2	109.4150	0.006	2	109.4150	0.006	2	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:C-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]HH)(H)2	C[3,6,6](C[3,6,6]C[5,4x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(CH3)	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[5,4x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(CH3){3|C<4>,4|H<1>}	110.5993	0.195	3	110.5993	0.038	3	110.5993	0.038	3	107.7008	10.117	6	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:C-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[3,6,6]C[6,6]H)(H)2	C[3,6,6](C[3,6,6]C[5,4x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(CH3)	C[3x6](C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[3,6,6](C[3,6,6]C[5,4x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(CH3){3|C<4>,4|H<1>}	104.8023	0.224	3	104.8023	0.050	3	104.8023	0.050	3	107.7008	10.117	6	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[3]-3:N[3]-2:	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2F)(H)2	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]N[3]C)(N[3]C[3])	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2F)(H)2{1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]N[3]C)(N[3]C[3]){2|C<4>,8|H<1>}	108.3845	0.151	2	108.3845	0.023	2	108.3930	0.009	4	108.2377	0.789	12	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[3]-3:N[3]-2:	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]N[3]C)(N[3]C[3])	C[3x6](C[3,6,6]C[3x6]C[3]N[3])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]N[3]C)(N[3]C[3]){2|C<4>,8|H<1>}	108.4015	0.071	2	108.4015	0.005	2	108.3930	0.009	4	108.2377	0.789	12	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:N[3]-3:N[3]-2:	C[3x6](C[3,6,6]C[3x6]N[3]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3,6,6](C[3x6]C[6,6]2H)2(N[3]N[3]Ru)(N[3]N[3])	C[3x6](C[3,6,6]C[3x6]N[3]2)(C[6,6]C[3x6]HH)2(H){1|Ru<6>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[3,6,6](C[3x6]C[6,6]2H)2(N[3]N[3]Ru)(N[3]N[3]){2|C<4>,8|H<1>}	108.1600	1.103	8	108.1600	1.216	8	108.1600	1.216	8	108.2377	0.789	12	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[3]-4:S[3]-2:	C[3x6](C[3,6,6]C[3x6]C[3]S[3])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]S[3]OO)(S[3]C[3])	C[3x6](C[3,6,6]C[3x6]C[3]S[3])(C[6,6]C[3x6]HH)2(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|S<2>,3|C<4>,6|H<1>}	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]S[3]OO)(S[3]C[3]){2|C<4>,8|H<1>}	108.3875	0.719	12	108.3875	0.516	12	108.3875	0.516	12	108.5667	0.754	16	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	Si[3,5]-4:C[3x6]-4:C[3x6]-4:O[3]-2:	C[3x6](C[3,6,6]Si[3,5]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3,6,6](Si[3,5]C[5]2O[3])(C[3x6]C[6,6]2H)2(O[3]Si[3,5])	C[3x6](C[3,6,6]Si[3,5]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|O<2>,2|C<4>,6|H<1>}	C[3,6,6](Si[3,5]C[5]2O[3])(C[3x6]C[6,6]2H)2(O[3]Si[3,5]){4|Si<4>,4|C<4>,8|H<1>}	109.1045	1.167	4	109.1045	1.361	4	109.1045	1.361	4	108.5667	0.754	16	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:Se[3]-3:	C[3x6](C[3,6,6]C[3,6,6]C[3x6]Se[3])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C)	C[3x6](C[3,6,6]C[3,6,6]C[3x6]Se[3])(C[6,6]C[3x6]HH)2(H){3|H<1>,6|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Se<3>,3|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C){10|H<1>,6|C<4>}	109.0161	1.729	8	109.0161	2.988	8	109.0161	2.988	8	109.0161	2.988	8	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3,3]-4:C[3,3]-4:C[3x6]-4:C[3x6]-4:	C[3x6](C[3,6,6]C[3,3]2C[3x6])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3,6,6](C[3,3]C[3,6,6]C[3,3]C)2(C[3x6]C[6,6]2H)2	C[3x6](C[3,6,6]C[3,3]2C[3x6])(C[6,6]C[3x6]HH)2(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3,6,6](C[3,3]C[3,6,6]C[3,3]C)2(C[3x6]C[6,6]2H)2{4|C<4>,8|H<1>}	109.5967	1.210	7	109.5967	1.463	7	109.5967	1.463	7	109.1924	1.297	11	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[3]-4:C[3]-4:	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]C[3]CC)(C[3]C[3]OO)	C[3x6](C[3,6,6]C[3x6]C[3]2)(C[6,6]C[3x6]HH)2(H){2|C<2>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]C[3]CC)(C[3]C[3]OO){2|C<4>,8|H<1>}	108.4847	0.590	4	108.4847	0.348	4	108.4847	0.348	4	109.1924	1.297	11	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	5:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	Si[3,4]-5:C[3x6]-4:C[3x6]-4:O[3]-2:	C[3x6](C[3,6,6]Si[3,4]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[3,6,6](Si[3,4]N[4]2O[3]Cl)(C[3x6]C[6,6]2H)2(O[3]Si[3,4])	C[3x6](C[3,6,6]Si[3,4]C[3x6]O[3])(C[6,6]C[3x6]HH)2(H){1|Cl<1>,2|N<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Si<5>,1|O<2>,2|C<4>,6|H<1>}	C[3,6,6](Si[3,4]N[4]2O[3]Cl)(C[3x6]C[6,6]2H)2(O[3]Si[3,4]){1|C<3>,4|C<4>,8|H<1>}	109.2920	0.371	4	109.2920	0.138	4	109.2920	0.138	4	109.2920	0.138	4	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[3x6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[5,6,6]-4:C[3,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[5]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[5]H)(H)	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H)	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3x6](C[5,6,6]N[5,6,6]C[5,6a]C)(C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[5]H)(H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[3x6]C[3,6,6]C[5,6,6]H)(C[5]C[5,6a]N[5]C)(C[6,6]C[3x6]CH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[3,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	113.4480	0.000	1	113.4480	0.000	1	113.4480	0.000	1	113.4480	0.000	1	108.2247	3.937	83	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[4x6]	C[3x6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:2:2:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:C[3,6,6]-4:O[3]-2:O[6]-2:	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6])	C[4x6](C[3,6,6]C[3,6,6]O[3]O[6])(C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH){1|C<3>,1|O<2>,3|H<1>,8|C<4>}	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,4|O<2>,5|H<1>}	C[3,6,6](C[4x6]C[3x6]2C[6,6])(C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(O[6]C[6,6]){1|C<3>,1|O<2>,6|C<4>,8|H<1>}	111.0650	0.000	1	111.0650	0.000	1	111.0650	0.000	1	111.0650	0.000	1	111.0650	0.000	1	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[4x6]	C[6,6]	C[3,3x6]	4:4:2:4:	4:4:1:1:	4:4:4:4:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3,6,6]-4:C[4x6]-4:C[3x6]-4:C[3]-4:	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	C[6,6](C[4x6]C[3,3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH)	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[4x6]C[3,3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	110.0560	0.000	1	110.0560	0.000	1	110.0560	0.000	1	110.0560	0.000	1	110.0560	0.000	1	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[4x6]	C[6]	C[3,3x6]	4:4:2:4:	4:4:1:1:	4:4:4:4:	C[3,3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[4x6]-4:C[3x6]-4:C[3]-4:	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	C[6](C[4x6]C[3,3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH)	C[4x6](C[3,3x6]C[3,6,6]C[3x6]C[3])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[4x6]C[3,3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{3|H<1>,6|C<4>}	C[3,3x6](C[3,6,6]C[6,6]C[3]C[6])(C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[3]C[3,6,6]BrH){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	114.6240	0.000	1	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3,3x6]	4:4:1:1:	4:4:3:2:	4:4:4:2:	C[3,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[5,4x6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,3x6]C[5,4x6]C[3,6]O[3])(C[3x6]C[6,6]2O)(H)2	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC)	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6])	C[6,6](C[3,3x6]C[5,4x6]C[3,6]O[3])(C[3x6]C[6,6]2O)(H)2{2|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	108.4860	0.000	1	108.4860	0.000	1	108.4860	0.000	1	108.4860	0.000	1	108.4860	0.000	1	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3,6,6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,5,6]-4:N[3,5,6]-4:C[6,6]-4:H-1:	C[6,6](C[3,6,6]C[3,5,6]N[3,5,6]H)(C[3x6]C[5,3x6]C[6,6]H)(H)2	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3,6,6]C[3,5,6]N[3,5,6]H)(C[3x6]C[5,3x6]C[6,6]H)(H)2{1|H<1>,7|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,1|N<4>,4|C<4>}	C[3,6,6](C[3,5,6]N[3,5,6]C[5,6]C)(N[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){2|C<4>,5|H<1>}	113.7910	0.000	1	113.7910	0.000	1	113.7910	0.000	1	113.5880	0.082	2	110.1533	24.119	6	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[3,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[3,6,6]C[3,5,6]2H)(H)2	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[3,6,6]C[3,5,6]2H)(H)2{1|H<1>,7|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,5|C<4>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){2|C<4>,5|H<1>}	113.3850	0.000	1	113.3850	0.000	1	113.3850	0.000	1	113.5880	0.082	2	110.1533	24.119	6	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3,6,6]	4:4:1:1:	4:4:4:2:	4:4:4:1:	C[3x6]-4:C[3,6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[3,6,6]C[3,5,6]2H)(H)2	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[3,6,6]C[3,5,6]2H)(H)2{1|H<1>,7|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi){10|H<1>,1|C<3>,4|C<4>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[3x6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	110.1533	24.119	6	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3,6,6]	4:4:4:1:	4:4:4:3:	4:4:4:2:	C[3,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO)	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3])	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO){1|O<2>,3|C<4>}	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3]){1|C<3>,3|C<4>}	103.8230	0.040	2	103.8230	0.002	2	103.8230	0.002	2	103.8230	0.002	2	110.1533	24.119	6	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[3,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H)	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3)	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,5|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	113.0360	0.000	1	113.0360	0.000	1	113.0360	0.000	1	113.0360	0.000	1	110.1533	24.119	6	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3,6]	4:4:2:1:	4:4:4:3:	4:4:2:1:	C[3x6]-4:C[3,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[3,6]C[3,6]O[3]H)(O[6]Si[6])(H)	C[3x6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[3,6]O[6]H)(C[6,6]C[6]O[6]H)(COO)	C[3,6](C[6,6]C[3x6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[3,6]C[3,6]O[3]H)(O[6]Si[6])(H){2|H<1>,2|O<2>,5|C<4>}	C[3x6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[3,6]O[6]H)(C[6,6]C[6]O[6]H)(COO){1|Si<4>,3|O<2>,4|C<4>,4|H<1>}	C[3,6](C[6,6]C[3x6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>}	113.8440	0.000	1	113.8440	0.000	1	113.8440	0.000	1	113.8440	0.000	1	112.5395	1.397	4	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[3x6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H)	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[3,6](C[6,6]C[3x6]C[6,6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6,6]N[6,6]C[6]H)(H){1|C<3>,3|H<1>,6|C<4>}	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[3,6](C[6,6]C[3x6]C[6,6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|C<2>,3|C<4>,3|N<3>,4|H<1>}	110.9880	0.000	1	110.9880	0.000	1	110.9880	0.000	1	111.9050	1.682	2	112.5395	1.397	4	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[3x6]-4:C[3,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H)	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3,6]C[3,6]O[3]H)(C[6]N[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H){1|C<2>,2|C<4>,3|N<3>,5|H<1>}	112.8220	0.000	1	112.8220	0.000	1	112.8220	0.000	1	111.9050	1.682	2	112.5395	1.397	4	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[3x6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H)	C[3,6](C[3,6]C[6,6]C[3]C)(C[6,6]C[3x6]C[6]H)(C[3]C[3,6]Br2)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){2|Br<1>,1|N<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]C[3]C)(C[6,6]C[3x6]C[6]H)(C[3]C[3,6]Br2)(H){4|C<4>,4|H<1>}	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	112.5395	1.397	4	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2{3|C<4>,4|H<1>}	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3){11|H<1>,1|O<1>,2|O<2>,3|C<4>}	113.8890	0.000	1	113.8890	0.000	1	113.8890	0.000	1	113.8890	0.000	1	111.3558	2.922	4	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,3x6]	4:4:3:4:	4:4:4:1:	4:4:4:4:	C[3,3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH){2|O<1>,5|C<4>,6|H<1>}	110.5113	0.323	3	110.5113	0.105	3	110.5113	0.105	3	110.5113	0.105	3	111.3558	2.922	4	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,5,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:4:	C[3,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[3,5,6]-4:C[3,6]-4:C[6,6]-4:C[5]-4:	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,5,6]	4:4:3:4:	4:4:3:1:	4:4:4:4:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6,6]-4:C[3]-4:C[5]-4:	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,5,6]HH)(C[5]C[5]HH)	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,5,6]HH)(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	107.3425	2.080	8	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,5,6]	4:4:3:4:	4:4:4:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	107.0560	0.000	1	107.0070	0.005	2	107.7057	1.467	3	107.7057	1.467	3	107.3425	2.080	8	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,5,6]	4:4:3:4:	4:4:4:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	106.9580	0.000	1	107.0070	0.005	2	107.7057	1.467	3	107.7057	1.467	3	107.3425	2.080	8	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,5,6]	4:4:3:4:	4:4:4:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	109.1030	0.000	1	109.1030	0.000	1	107.7057	1.467	3	107.7057	1.467	3	107.3425	2.080	8	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,5,6](C[6,6]C[6,6]C[6]H)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[3,5,6](C[6,6]C[6,6]C[6]H)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	107.3425	2.080	8	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,5,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	107.3820	0.000	1	106.9440	0.384	2	106.9440	0.384	2	106.1650	2.012	3	107.3425	2.080	8	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,5,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	106.5060	0.000	1	106.9440	0.384	2	106.9440	0.384	2	106.1650	2.012	3	107.3425	2.080	8	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,5,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	104.6070	0.000	1	104.6070	0.000	1	104.6070	0.000	1	106.1650	2.012	3	107.3425	2.080	8	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:1:1:	3:4:3:1:	4:4:4:1:	C[6,6]-4:C[3,6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[3,6,6]C[3,6]2H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H)	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[3,6,6]C[3,6]2H)(H)2{1|H<1>,1|S<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(C[6,6]C[6,6]HH)(H){2|H<1>,5|C<3>}	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:3:2:	4:3:3:1:	4:4:4:3:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[3,6]-4:C[6a]-3:	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH)	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6]C[6]H)2(H)	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6]C[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2){5|H<1>,6|C<3>}	109.0202	0.131	6	109.0202	0.017	6	109.0202	0.017	6	109.0202	0.017	6	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:3:2:	4:3:3:3:	4:4:4:1:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	C[6,6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[3,6]-4:C[3,6]-4:H-1:	C[6,6](C[3,6,6]C[3,6]2H)(C[6,6]C[6a]C[6]2)(C[6a]C[6a]2)(OH)	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(H)	C[6,6](C[3,6,6]C[3,6]2H)(C[6,6]C[6a]C[6]2)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,4|C<3>,5|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6a]O)(C[3,6]C[3,6]C[6]H)2(H){2|H<1>,5|C<3>}	109.0240	0.069	5	109.0240	0.005	5	109.0240	0.005	5	109.0240	0.005	5	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:3:4:	4:4:3:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	108.8520	0.758	4	108.8520	0.574	4	108.8520	0.574	4	108.8520	0.574	4	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:3:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,5|C<4>,6|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	109.8238	8.971	6	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:3:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	107.0310	0.000	1	107.0310	0.000	1	107.0310	0.000	1	109.8238	8.971	6	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:3:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	112.3420	0.000	1	112.3420	0.000	1	112.3930	2.586	3	109.8238	8.971	6	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:3:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	114.0260	0.000	1	114.0260	0.000	1	112.3930	2.586	3	109.8238	8.971	6	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:3:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	110.8110	0.000	1	110.8110	0.000	1	112.3930	2.586	3	109.8238	8.971	6	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:3:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	109.8238	8.971	6	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:3:4:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6])	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6]){2|C<3>,5|H<1>,6|C<4>}	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:4:1:	4:4:2:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,9|H<1>}	113.4380	0.000	1	113.4380	0.000	1	113.4380	0.000	1	113.4380	0.000	1	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	111.3490	2.985	6	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	111.3490	2.985	6	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	111.3490	2.985	6	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	111.6960	0.000	1	111.6960	0.000	1	112.6337	0.660	3	111.3490	2.985	6	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	113.1025	0.035	2	113.1025	0.001	2	112.6337	0.660	3	111.3490	2.985	6	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:3:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	111.9710	0.000	1	111.9710	0.000	1	111.5610	0.336	2	111.5610	0.336	2	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3){5|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	111.1510	0.000	1	111.1510	0.000	1	111.5610	0.336	2	111.5610	0.336	2	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:3:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[3,6,6](C[3,6,6]C[3,6]2O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[3,6,6](C[3,6,6]C[3,6]2O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	105.3710	0.000	1	105.3710	0.000	1	106.3757	0.763	3	106.3757	0.763	3	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:3:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[3,6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[3,6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	106.9530	0.000	1	106.9530	0.000	1	106.3757	0.763	3	106.3757	0.763	3	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:3:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	106.8030	0.000	1	106.8030	0.000	1	106.3757	0.763	3	106.3757	0.763	3	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:3:1:	4:4:4:2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO)	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	105.5820	0.000	1	105.5820	0.000	1	105.5820	0.000	1	105.5820	0.000	1	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:3:2:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(OH)	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(OH){1|O<2>,3|C<4>,4|H<1>}	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<4>,3|C<3>,3|O<2>,7|H<1>}	105.2530	0.000	1	105.2530	0.000	1	105.2530	0.000	1	105.2530	0.000	1	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:2:3:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	107.7120	0.000	1	107.7120	0.000	1	107.7120	0.000	1	107.7120	0.000	1	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:2:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|C<4>,7|H<1>}	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	108.0830	0.000	1	108.5727	0.349	6	108.5727	0.349	6	109.2661	4.617	12	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	109.1490	0.000	1	108.5727	0.349	6	108.5727	0.349	6	109.2661	4.617	12	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	108.6820	0.695	3	108.5727	0.349	6	108.5727	0.349	6	109.2661	4.617	12	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	108.1580	0.000	1	108.5727	0.349	6	108.5727	0.349	6	109.2661	4.617	12	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	112.4070	0.000	1	111.7273	0.603	3	111.7273	0.603	3	109.2661	4.617	12	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|O<2>,3|C<4>,6|H<1>}	111.3875	0.716	2	111.7273	0.603	3	111.7273	0.603	3	109.2661	4.617	12	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6])	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6]){2|O<2>,4|C<4>,7|H<1>}	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	109.2661	4.617	12	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,5|H<1>,6|C<4>}	104.4420	0.000	1	104.4420	0.000	1	107.7810	22.298	2	109.2661	4.617	12	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){5|C<4>,8|H<1>}	111.1200	0.000	1	111.1200	0.000	1	107.7810	22.298	2	109.2661	4.617	12	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,5|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	109.4020	4.624	53	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[3,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H)	C[3,6](C[6,6]C[6,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[3,6]O[6]H)(C[6]O[6]HH)(O[6]C[6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[3,6](C[6,6]C[6,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:2:4:	4:4:4:1:	C[3,6]-4:C[6,6]-4:S[6]-2:H-1:	C[6,6]-4:C[6]-4:S[6]-2:C-4:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]S[6]C)(S[6]C[5,6])(H)	C[6,6](C[6,6]C[3,6]S[6]H)(C[6]C[6]HH)(S[6]C[5,6])(CH3)	C[3,6](C[6,6]C[6,6]S[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]S[6]C)(S[6]C[5,6])(H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3,6]S[6]H)(C[6]C[6]HH)(S[6]C[5,6])(CH3){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[3,6](C[6,6]C[6,6]S[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:3:1:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|O<1>,2|H<1>,4|C<4>}	113.6390	0.000	1	113.6390	0.000	1	113.6390	0.000	1	113.6390	0.000	1	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[3]-4:C-4:	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(H)2	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6]Br2)(CH3)	C[6,6](C[3,6]C[3,6]C[3]C)(C[6,6]C[3x6]HH)(C[6]N[6]HH)(H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,4|H<1>,5|C<4>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6]Br2)(CH3){1|N<3>,2|C<4>,5|H<1>}	115.4480	0.000	1	115.4480	0.000	1	115.4480	0.000	1	115.4480	0.000	1	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,4|H<1>}	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:3:2:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[3,6,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(H)	C[6,6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH){1|O<2>,5|H<1>,7|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	114.2095	0.282	2	114.2095	0.080	2	114.2095	0.080	2	114.2095	0.080	2	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H){1|C<3>,2|H<1>,4|C<4>}	111.5310	0.000	1	113.0905	4.864	2	113.0905	4.864	2	112.6053	3.138	3	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|H<1>,5|C<4>}	114.6500	0.000	1	113.0905	4.864	2	113.0905	4.864	2	112.6053	3.138	3	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){4|C<4>,4|H<1>}	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	112.6053	3.138	3	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6,6]-4:O[3]-2:C-4:	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)	C[3,6](C[3,5,6]C[5,6,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,5,6])(CH3)	C[6,6](C[3,6]C[3,5,6]O[3]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[3,6](C[3,5,6]C[5,6,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,5,6])(CH3){2|O<2>,4|H<1>,5|C<4>}	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	112.5565	0.016	2	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CHHO)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CHHO){1|O<2>,3|C<4>,4|H<1>}	112.6450	0.000	1	112.6450	0.000	1	112.6450	0.000	1	112.5565	0.016	2	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,6|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	111.8045	0.804	2	111.8045	0.646	2	111.8045	0.646	2	111.8045	0.646	2	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[5,6]C[6]O)(C[6]C[6]HO)(H){2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){2|O<2>,3|C<4>,3|H<1>}	114.5480	0.000	1	114.5480	0.000	1	114.5480	0.000	1	114.5480	0.000	1	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:3:	4:4:4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Br<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO){5|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(H){1|C<3>,2|H<1>,5|C<4>}	109.4885	0.252	2	109.4885	0.064	2	109.3427	0.135	4	109.3427	0.135	4	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:3:	4:4:4:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:C[3,6]-4:C[3]-4:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Cl<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)2(CCO){5|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(H){1|C<3>,2|H<1>,5|C<4>}	109.1970	0.505	2	109.1970	0.255	2	109.3427	0.135	4	109.3427	0.135	4	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])(H){2|H<1>,6|C<4>}	110.5510	0.000	1	110.5510	0.000	1	110.5510	0.000	1	111.8925	0.741	6	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){4|C<4>,4|H<1>}	112.3915	0.401	4	112.3915	0.161	4	112.3915	0.161	4	111.8925	0.741	6	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,7|C<4>}	111.2380	0.000	1	111.2380	0.000	1	111.2380	0.000	1	111.8925	0.741	6	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:2:4:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){1|O<2>,3|H<1>,4|C<4>}	111.9170	0.000	1	111.9170	0.000	1	111.9170	0.000	1	111.9170	0.000	1	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){4|C<4>,4|H<1>}	110.2440	0.643	2	110.2440	0.414	2	110.2440	0.414	2	110.2440	0.414	2	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H)	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	110.8250	0.008	2	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6]C[6]CC)(O[6]C[6])(H)	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6]O)(C[6]C[6]CC)(O[6]C[6])(H){2|O<2>,3|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<4>,2|O<2>,4|H<1>}	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	110.8250	0.008	2	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:3:4:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6]O)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6]O)(O[3]C[3,6])(H){1|C<3>,3|H<1>,4|C<4>}	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH)	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6,6]2O)(O[3]C[3,6])(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6,6]2O)(O[3]C[3,6])(H){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,5,6])(H)	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,5,6])(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){3|C<4>,5|H<1>}	111.2230	0.000	1	111.2490	0.023	3	111.2490	0.023	3	111.2490	0.023	3	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){3|C<4>,5|H<1>}	111.2620	0.214	2	111.2490	0.023	3	111.2490	0.023	3	111.2490	0.023	3	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	104.4070	0.000	1	104.4070	0.000	1	103.8983	0.201	3	103.8983	0.201	3	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	103.5610	0.000	1	103.6440	0.014	2	103.8983	0.201	3	103.8983	0.201	3	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){4|H<1>,4|O<2>,5|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	103.7270	0.000	1	103.6440	0.014	2	103.8983	0.201	3	103.8983	0.201	3	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6,6]	C[3,6]	4:4:4:4:	4:4:4:2:	4:4:2:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	110.9696	6.959	41	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,3x6]	4:4:4:4:	4:2:1:1:	4:4:4:4:	C[3,3x6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH)	C[6](C[6,6]C[3,3x6]C[6]2)(O[6]C[6])(H)2	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,3x6]C[6]2)(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]3){11|H<1>,1|O<1>,2|O<2>,3|C<4>}	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:3:4:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]N[5,6]HH)(H)2	C[3,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(C[3]O[3]CH)(O[3]C[3])	C[6,6](C[3,6,6]C[5,6,6]C[3]O[3])(C[6]C[5,6]C)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[3,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(C[3]O[3]CH)(O[3]C[3]){2|H<1>,3|C<3>,3|C<4>}	106.3170	0.000	1	106.3170	0.000	1	106.3170	0.000	1	106.3170	0.000	1	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:3:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	105.9660	0.000	1	105.9660	0.000	1	105.9660	0.000	1	106.0093	0.005	3	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:3:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	106.0310	0.081	2	106.0310	0.006	2	106.0310	0.006	2	106.0093	0.005	3	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:2:3:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O[6]-2:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(O[6]N[6])(COO)	C[6](C[6,6]C[3,6,6]O[6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(O[6]N[6])(COO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6]){1|C<4>,1|N<3>,6|H<1>}	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:3:1:	4:3:2:1:	3:4:4:3:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	N[3,6]-3:C[3]-4:C[6,6]-4:C[6]-3:	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H)	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[3,6,6]N[3,6]C[3]C[6])(C[6]C[6a]O[6]H)(C[6]C[6]H)(H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,4|C<4>,7|H<1>}	113.3680	0.000	1	113.3680	0.000	1	113.3680	0.000	1	113.3680	0.000	1	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:3:2:	4:3:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH)	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2O)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2O)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	107.2870	0.000	1	107.2870	0.000	1	107.2870	0.000	1	107.2870	0.000	1	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(C[6,6]C[6]2C)(H)	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(C[6,6]C[6]2C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:3:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3,6]-4:C[3]-4:C[6,6]-4:	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2C)	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C[3,6,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2C){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	112.9150	0.000	1	112.6300	0.162	2	112.6300	0.162	2	112.6300	0.162	2	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	112.3450	0.000	1	112.6300	0.162	2	112.6300	0.162	2	112.6300	0.162	2	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:3:4:1:	4:4:4:3:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-3:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	108.5020	0.000	1	108.5020	0.000	1	108.5020	0.000	1	108.5020	0.000	1	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:3:4:4:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	112.2120	0.000	1	112.8532	0.211	6	112.8532	0.211	6	112.8532	0.211	6	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:3:4:4:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	112.9210	0.000	1	112.8532	0.211	6	112.8532	0.211	6	112.8532	0.211	6	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:3:4:4:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	112.9965	0.431	4	112.8532	0.211	6	112.8532	0.211	6	112.8532	0.211	6	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[3x6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[3x6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[3,6,6](C[3,6]C[3x6]O[3]H)(C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	111.6499	1.827	8	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){5|C<4>,8|H<1>}	113.5960	0.000	1	112.3063	1.321	3	112.3063	1.321	3	111.6499	1.827	8	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	111.6615	0.384	2	112.3063	1.321	3	112.3063	1.321	3	111.6499	1.827	8	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6])	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6]){2|C<3>,5|H<1>,6|C<4>}	110.8330	0.000	1	110.8330	0.000	1	110.8330	0.000	1	111.6499	1.827	8	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	111.6499	1.827	8	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6])	C[6,6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	C[3,6,6](C[3,6]C[5,6,6]O[3]H)(C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(O[3]C[3,6]){1|C<3>,5|H<1>,7|C<4>}	112.7550	0.136	2	112.7550	0.018	2	112.7550	0.018	2	111.6499	1.827	8	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,3x6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[4x6]HH)(H)2	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,3x6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	112.6380	1.201	2	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-3:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	111.8630	0.000	1	111.8630	0.000	1	111.8630	0.000	1	112.6380	1.201	2	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	113.4360	0.000	1	113.4360	0.000	1	113.4360	0.000	1	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	115.4430	0.000	1	112.3068	1.316	18	112.3068	1.316	18	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|N<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	111.0430	0.000	1	112.3068	1.316	18	112.3068	1.316	18	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	112.1027	1.840	3	112.3068	1.316	18	112.3068	1.316	18	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	112.2250	0.000	1	112.3068	1.316	18	112.3068	1.316	18	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	112.4300	0.000	1	112.3068	1.316	18	112.3068	1.316	18	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	112.1885	0.622	11	112.3068	1.316	18	112.3068	1.316	18	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){6|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	110.9530	0.000	1	112.1730	2.977	2	112.1730	2.977	2	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	113.3930	0.000	1	112.1730	2.977	2	112.1730	2.977	2	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	112.9753	1.398	4	112.7792	0.698	17	112.7792	0.698	17	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	113.1693	0.437	4	112.7792	0.698	17	112.7792	0.698	17	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	112.5188	0.647	9	112.7792	0.698	17	112.7792	0.698	17	112.5480	1.042	39	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2{4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	113.1135	1.268	4	113.1135	1.607	4	113.1097	1.037	13	113.1097	1.037	13	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	113.1080	0.976	9	113.1080	0.953	9	113.1097	1.037	13	113.1097	1.037	13	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:2:	4:3:1:1:	4:4:4:2:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC)	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	107.6080	0.000	1	107.6080	0.000	1	108.1490	0.585	2	108.1490	0.585	2	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:2:	4:3:1:1:	4:4:4:2:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2{2|O<2>,3|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	108.6900	0.000	1	108.6900	0.000	1	108.1490	0.585	2	108.1490	0.585	2	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:3:2:1:	4:4:2:3:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	108.4940	0.338	3	108.2223	0.372	4	108.2223	0.372	4	108.2223	0.372	4	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:3:2:1:	4:4:2:3:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	107.4070	0.000	1	108.2223	0.372	4	108.2223	0.372	4	108.2223	0.372	4	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:3:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a,6]-3:O-2:H-1:	C[3,6]-4:C[6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	107.4899	0.537	10	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:3:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.3030	0.000	1	107.5104	0.450	8	107.3977	0.508	9	107.4899	0.537	10	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:3:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	107.7365	0.637	2	107.5104	0.450	8	107.3977	0.508	9	107.4899	0.537	10	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:3:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	107.2614	0.652	5	107.5104	0.450	8	107.3977	0.508	9	107.4899	0.537	10	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:3:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	106.4960	0.000	1	106.4960	0.000	1	107.3977	0.508	9	107.4899	0.537	10	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	107.7003	0.095	3	107.8877	0.147	4	108.2120	0.705	6	108.2120	0.705	6	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	108.4500	0.000	1	107.8877	0.147	4	108.2120	0.705	6	108.2120	0.705	6	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	109.8150	0.000	1	108.8605	1.822	2	108.2120	0.705	6	108.2120	0.705	6	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	107.9060	0.000	1	108.8605	1.822	2	108.2120	0.705	6	108.2120	0.705	6	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	108.9380	0.000	1	109.0110	0.215	3	109.0110	0.215	3	107.9530	2.309	14	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|O<2>,3|C<4>,6|H<1>}	109.0475	0.650	2	109.0110	0.215	3	109.0110	0.215	3	107.9530	2.309	14	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6]){1|O<1>,4|C<4>,6|H<1>}	110.3460	0.000	1	108.4515	7.178	2	108.4515	7.178	2	107.9530	2.309	14	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6]){1|O<1>,4|C<4>,6|H<1>}	106.5570	0.000	1	108.4515	7.178	2	108.4515	7.178	2	107.9530	2.309	14	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	110.3380	0.000	1	110.3380	0.000	1	110.3380	0.000	1	107.9530	2.309	14	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	107.8330	0.000	1	107.1335	1.070	8	107.1335	1.070	8	107.9530	2.309	14	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	108.2395	0.260	2	107.1335	1.070	8	107.1335	1.070	8	107.9530	2.309	14	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	106.5512	0.835	5	107.1335	1.070	8	107.1335	1.070	8	107.9530	2.309	14	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	110.1260	0.000	1	110.1260	0.000	1	110.1260	0.000	1	109.2870	1.408	2	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	108.4480	0.000	1	108.4480	0.000	1	108.4480	0.000	1	109.2870	1.408	2	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6,6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:4:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C[6,6]-4:O[3]-2:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6])	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	110.8054	6.733	121	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[3x6]	C[3,6]	4:4:1:1:	4:4:4:4:	4:4:2:1:	C[3x6]-4:C[3,6]-4:H-1:H-1:	C[5,5,6,6]-4:C[4x6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3x6]C[5,5,6,6]C[4x6]C)(C[3,6]C[3,6,6]O[3]H)(H)2	C[3x6](C[5,5,6,6]C[3,5,6]C[3x5,6]C[5])(C[4x6]C[5,6,6]C[6,6]2)(C[6]C[3,6]HH)(CH3)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3x6]HH)(O[3]C[3,6,6])(H)	C[6](C[3x6]C[5,5,6,6]C[4x6]C)(C[3,6]C[3,6,6]O[3]H)(H)2{2|C<3>,5|C<4>}	C[3x6](C[5,5,6,6]C[3,5,6]C[3x5,6]C[5])(C[4x6]C[5,6,6]C[6,6]2)(C[6]C[3,6]HH)(CH3){1|C<3>,1|O<1>,3|H<1>,5|O<2>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3x6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,5|C<4>}	111.8972	0.693	4	111.8972	0.480	4	111.8972	0.480	4	111.8972	0.480	4	111.8972	0.480	4	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,5,6]	4:4:1:1:	4:3:4:1:	4:4:4:2:	C[3,5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]CC)(C[6]C[6,6]HH)(O[3]C[3,5,6])	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]CC)(C[6]C[6,6]HH)(O[3]C[3,5,6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	111.4660	0.000	1	111.4660	0.000	1	111.4660	0.000	1	111.4660	0.000	1	112.4315	1.864	2	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,5,6]	4:4:1:1:	4:4:4:1:	4:4:3:4:	C[3,5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,5,6,6]-4:C[3,6]-4:C[5]-3:C[6]-4:	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H)	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH)	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,5,6]HH)(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[3,5,6](C[3,5,6,6]C[3,6]C[3x6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[6a]C[5])(C[6]C[6,6]HH){2|C<3>,4|H<1>,6|C<4>}	113.3970	0.000	1	113.3970	0.000	1	113.3970	0.000	1	113.3970	0.000	1	112.4315	1.864	2	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6,6]	4:4:1:1:	4:3:4:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6])	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6]){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	114.5880	0.000	1	114.5880	0.000	1	114.5880	0.000	1	114.5880	0.000	1	113.3634	6.064	10	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6,6]	4:4:1:1:	4:4:3:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H)	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H){1|O<2>,5|C<4>,6|H<1>}	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	109.9300	0.000	1	109.8165	0.026	2	109.8165	0.026	2	109.8165	0.026	2	113.3634	6.064	10	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6,6]	4:4:1:1:	4:4:3:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H)	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H){1|O<2>,5|C<4>,6|H<1>}	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	109.7030	0.000	1	109.8165	0.026	2	109.8165	0.026	2	109.8165	0.026	2	113.3634	6.064	10	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6,6]	4:4:1:1:	4:4:3:2:	4:3:4:2:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[3,6]-4:C[3x6]-3:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[3x6]O[3])(C[6,6]C[6,6]C[6]O)(H)2	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH)	C[3,6,6](C[3,6]C[6]O[3]H)(C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[3x6]O[3])(C[6,6]C[6,6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O[3]C[3,6]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	116.4990	0.000	1	116.4990	0.000	1	116.4990	0.000	1	116.4990	0.000	1	113.3634	6.064	10	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6,6]	4:4:1:1:	4:4:3:4:	4:4:2:4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	114.1210	1.476	2	114.1210	2.180	2	114.1210	2.180	2	114.1210	2.180	2	113.3634	6.064	10	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6,6]	4:4:1:1:	4:4:4:1:	4:4:2:4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	114.7670	0.686	2	114.7670	0.470	2	114.7670	0.470	2	114.7670	0.470	2	113.3634	6.064	10	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6,6]	4:4:2:1:	4:4:3:1:	4:4:4:2:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H)	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6])	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6,6]HO)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3,6,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(O[3]C[3,5,6]){2|C<3>,5|H<1>,6|C<4>}	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	113.3634	6.064	10	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6,6]	4:4:2:1:	4:4:4:1:	4:4:4:4:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H)	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6]C[3,6,6]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	114.6970	0.000	1	114.6970	0.000	1	114.6970	0.000	1	114.6970	0.000	1	113.3634	6.064	10	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	3:4:2:4:	4:4:4:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6]C)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6]C)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	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[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.8783	0.645	7	113.8783	0.417	7	113.8783	0.417	7	113.8783	0.417	7	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	3:4:3:1:	4:4:2:4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[3,6]C[3,6]O[3]C)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	115.5850	0.000	1	115.5850	0.000	1	115.5850	0.000	1	115.5850	0.000	1	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:3:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,5|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	113.8460	0.000	1	113.8460	0.000	1	113.1540	0.361	3	113.1540	0.361	3	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:3:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[3,6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,5|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	112.7610	0.000	1	112.7610	0.000	1	113.1540	0.361	3	113.1540	0.361	3	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:3:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[3,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{3|C<3>,3|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	C[3,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	112.8550	0.000	1	112.8550	0.000	1	113.1540	0.361	3	113.1540	0.361	3	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:3:4:1:	4:4:3:2:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C[6a]-3:O[3]-2:	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(O[3]C[3,6])	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,3|C<3>,4|H<1>}	113.5780	0.000	1	113.5780	0.000	1	113.5780	0.000	1	113.5780	0.000	1	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:3:4:4:	4:4:4:2:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>}	113.7850	0.000	1	113.7850	0.000	1	113.7850	0.000	1	113.7850	0.000	1	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:2:3:	4:4:4:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2O[6])(H)2	C[6,6](C[6]C[3,6]HH)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2O[6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6]C[3,6]HH)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.6135	0.622	2	112.6135	0.386	2	112.6135	0.386	2	112.6135	0.386	2	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:3:4:	4:4:2:4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	115.2170	0.290	2	115.2170	0.084	2	115.2170	0.084	2	115.2170	0.084	2	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:2:4:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,5,6,6]-4:O[3]-2:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[3,6](C[3,5,6,6]C[5,5,6]C[5,6,6]O[3])(O[3]C[3,5,6,6])(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,5,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[3,6](C[3,5,6,6]C[5,5,6]C[5,6,6]O[3])(O[3]C[3,5,6,6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	112.6657	0.647	3	112.6657	0.419	3	112.6657	0.419	3	112.6657	0.419	3	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:Cl-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(Cl)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]ClH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(Cl)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]ClH)(O[3]C[3,6,6])(H){3|H<1>,5|C<4>}	112.2730	0.000	1	112.2730	0.000	1	112.2730	0.000	1	113.0583	1.762	13	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){2|C<3>,3|C<4>,3|H<1>}	113.3675	1.914	2	112.5992	2.044	4	112.3284	1.900	5	113.0583	1.762	13	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){3|H<1>,5|C<4>}	112.0620	0.000	1	112.5992	2.044	4	112.3284	1.900	5	113.0583	1.762	13	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){3|H<1>,5|C<4>}	111.6000	0.000	1	112.5992	2.044	4	112.3284	1.900	5	113.0583	1.762	13	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	111.2450	0.000	1	111.2450	0.000	1	112.3284	1.900	5	113.0583	1.762	13	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,5|C<4>}	112.9510	0.000	1	112.9510	0.000	1	112.9510	0.000	1	113.0583	1.762	13	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	112.8927	0.856	3	112.8927	0.732	3	113.8153	1.362	6	113.0583	1.762	13	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	114.7380	0.344	3	114.7380	0.118	3	113.8153	1.362	6	113.0583	1.762	13	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	114.6080	0.000	1	114.7640	0.049	2	114.7640	0.049	2	114.7640	0.049	2	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	114.9200	0.000	1	114.7640	0.049	2	114.7640	0.049	2	114.7640	0.049	2	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:3:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|S<4>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|C<4>,3|H<1>}	112.6970	0.000	1	112.6970	0.000	1	112.6970	0.000	1	112.6970	0.000	1	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[3,6]HH)(C[6]C[6,6]HH)(H){3|H<1>,4|C<4>}	C[3,6](C[3,5,6,6]C[3,5,6]C[3x6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H){2|C<3>,4|H<1>,5|C<4>}	115.4270	0.000	1	115.4270	0.000	1	115.4270	0.000	1	115.8775	0.406	2	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	116.3280	0.000	1	116.3280	0.000	1	116.3280	0.000	1	115.8775	0.406	2	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[3]-4:C[3]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(H)	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(H){7|C<4>}	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH){1|H<1>,4|C<4>}	114.7240	0.263	2	114.7240	0.069	2	114.7240	0.069	2	114.7240	0.069	2	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:4:	4:4:3:1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]2C)(H)2{1|S<4>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[6,6]HH)(N[3]C[3,6]S)(H){2|H<1>,3|C<4>}	114.1680	0.000	1	114.1680	0.000	1	114.1680	0.000	1	114.1680	0.000	1	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C[3]-4:C[3]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(CH3)	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(CH3){1|H<1>,6|C<4>}	C[3,6](C[6]C[6,6]HH)2(C[3]C[3]Cl2)(C[3]C[3]HH){1|H<1>,4|C<4>}	115.7950	0.246	2	115.7950	0.061	2	115.7950	0.061	2	115.7950	0.061	2	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:2:1:	3:4:4:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:2:1:	4:3:2:4:	4:4:2:4:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-3:O[6]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H)	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H){1|H<1>,3|C<3>}	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3){1|C<3>,1|C<4>,2|O<2>}	114.8065	0.172	2	114.8065	0.030	2	114.8065	0.030	2	114.8065	0.030	2	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:4:2:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[3]-4:C[3]-4:O[6]-2:	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H)	C[3,6](C[6]C[6,6]HO)(C[3]C[3]CH)(C[3]C[3]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3,6]HO)(O[6]C[6])(H){1|H<1>,3|O<2>,4|C<4>}	C[3,6](C[6]C[6,6]HO)(C[3]C[3]CH)(C[3]C[3]HH)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>}	106.5130	0.000	1	106.5130	0.000	1	106.5130	0.000	1	106.5130	0.000	1	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:2:4:	4:4:2:4:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3){1|H<1>,2|C<4>,2|O<2>}	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	112.4700	0.694	3	112.4700	0.482	3	112.4700	0.482	3	112.2235	0.564	4	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	112.2235	0.564	4	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:2:1:	4:4:3:2:	4:4:2:1:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	111.3650	0.000	1	111.3650	0.000	1	111.3650	0.000	1	111.3650	0.000	1	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|H<1>,3|C<4>}	108.9650	0.000	1	108.9650	0.000	1	109.9565	1.966	2	109.9565	1.966	2	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|H<1>,3|C<4>}	110.9480	0.000	1	110.9480	0.000	1	109.9565	1.966	2	109.9565	1.966	2	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6,6]	C[3,6]	4:4:4:2:	4:4:4:4:	4:4:4:2:	C[6,6]-4:C[3,6]-4:C-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3)	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3])	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH){3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3]){1|H<1>,1|O<2>,3|C<4>}	107.1640	0.000	1	107.1640	0.000	1	107.1640	0.000	1	107.1640	0.000	1	113.1962	3.929	56	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,3x6]	4:4:1:1:	4:2:1:1:	4:3:4:4:	C[3,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6,6]-4:N[3,6]-3:C[4,6,6]-4:C[6]-4:	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2	C[6](C[6]C[3,3x6]HH)(O[6]C[6])(H)2	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH)	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,3x6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<4>}	C[3,3x6](C[3,6,6]C[6,6]N[3,6]H)(N[3,6]C[3,6,6]C[6])(C[4,6,6]C[4,6]2H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,5,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6,6]-4:C[6]-4:	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2{1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	109.1100	0.002	2	109.1100	0.002	2	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,5,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x5,6,6]-4:C[3,5,5,6]-4:C[3,5,5]-4:C[6]-4:	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2{1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	109.1410	0.000	1	109.1410	0.000	1	109.1410	0.000	1	109.1100	0.002	2	109.1100	0.002	2	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-4:	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6,6]HH)(H)2	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6,6]HH)(H)2{1|C<3>,7|C<4>}	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	114.0397	0.546	3	114.0397	0.298	3	114.0397	0.298	3	114.0397	0.298	3	114.0397	0.298	3	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:1:1:	4:2:1:1:	4:3:4:4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[5,6a]-3:C[3,5]-4:C[6]-4:	C[6](C[3,5,6]C[5,6a]C[3,5]C[3,6])(C[6]O[6]HH)(H)2	C[6](C[6]C[3,5,6]HH)(O[6]C[6])(H)2	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH)	C[6](C[3,5,6]C[5,6a]C[3,5]C[3,6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[3,5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,6]N[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	110.7815	0.330	2	110.7815	0.109	2	110.7815	0.109	2	110.7815	0.109	2	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.1395	0.301	2	114.1395	0.090	2	113.7197	0.574	3	113.7197	0.574	3	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	112.8800	0.000	1	112.8800	0.000	1	113.7197	0.574	3	113.7197	0.574	3	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:1:1:	4:3:3:1:	3:4:3:4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[3,6]-4:N[3,5]-3:C[6]-4:	C[6](C[3,5,6]C[5,6a]C[3,6]N[3,5])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH)	C[6](C[3,5,6]C[5,6a]C[3,6]N[3,5])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|S<4>,6|C<3>}	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[3,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]S[5])(C[6]C[6]HH){2|O<1>,3|H<1>,4|C<3>}	114.2690	0.000	1	114.2690	0.000	1	114.2690	0.000	1	114.2690	0.000	1	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[3,5]-4:C[3]-4:C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6]HH)(H)2	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,7|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6]C[6]HH){1|O<1>,3|C<4>,3|H<1>}	111.0720	0.000	1	111.0720	0.000	1	111.0720	0.000	1	111.0720	0.000	1	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:1:1:	4:4:1:1:	4:4:3:4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:N[5]-3:C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]N[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[3,5,6]HH)(H)2	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[3,6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[3,5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[5,6a]C[3,6]C)(C[3,6]C[3,5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	112.5590	0.000	1	112.5590	0.000	1	112.5590	0.000	1	112.5590	0.000	1	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|O<2>,5|C<4>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.2600	0.000	1	114.6130	2.069	3	114.6130	2.069	3	113.5957	5.519	4	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,4|C<4>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.7895	0.264	2	114.6130	2.069	3	114.6130	2.069	3	113.5957	5.519	4	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]HH)(H)2	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6]C[6]HH)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,6|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	110.5440	0.000	1	110.5440	0.000	1	110.5440	0.000	1	113.5957	5.519	4	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:1:1:	4:4:2:1:	4:4:4:2:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H)	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[3]C[3,5])	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[3]C[3,5]){1|O<2>,3|C<4>,5|H<1>}	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:2:1:	3:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,5,6]HO)(H)2{1|O<2>,6|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	112.8240	0.152	4	112.8240	0.023	4	112.8240	0.023	4	112.8240	0.023	4	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H){4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2{2|H<1>,6|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){2|C<4>,7|H<1>}	110.8912	0.302	5	110.8912	0.091	5	110.7472	0.197	6	110.7472	0.197	6	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:2:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){2|C<4>,7|H<1>}	110.0270	0.000	1	110.0270	0.000	1	110.7472	0.197	6	110.7472	0.197	6	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3,5]-4:C[6]-4:O[3]-2:	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[5]O[3]C)(C[6]C[6]CH)(O[3]C[3,5])	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[5]O[3]C)(C[6]C[6]CH)(O[3]C[3,5]){1|C<3>,1|C<4>,6|H<1>}	106.1630	0.000	1	106.1630	0.000	1	106.1630	0.000	1	106.1630	0.000	1	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	113.6180	0.000	1	113.6180	0.000	1	112.3239	3.672	8	112.3239	3.672	8	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	C[3,5,6](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[3,5,6](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	112.0960	0.000	1	112.0960	0.000	1	112.3239	3.672	8	112.3239	3.672	8	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	112.5477	1.020	4	112.5477	1.041	4	112.3239	3.672	8	112.3239	3.672	8	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<1>,2|C<4>,5|H<1>}	111.3430	4.327	2	111.3430	18.727	2	112.3239	3.672	8	112.3239	3.672	8	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,5,6]	4:4:4:4:	4:4:4:2:	4:4:4:4:	C[3,5,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3,5,6,6]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH)	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC)	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH){1|C<3>,2|H<1>,3|C<4>}	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	111.8982	4.585	33	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:2:1:1:	4:3:4:3:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:N[3,6]-3:C[6]-4:C[6]-3:	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(O[6]C[6])(H)2	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,3|C<4>,4|H<1>}	110.9520	0.000	1	110.9520	0.000	1	110.9520	0.000	1	110.9520	0.000	1	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:3:1:1:	4:4:4:3:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-3:	C[6](C[3,6,6]C[3,6]2C[6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(N[6]C[6]S)(H)2	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,7|H<1>}	114.4400	0.201	2	114.4400	0.040	2	114.4400	0.040	2	114.4400	0.040	2	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	110.7360	0.000	1	111.0710	0.538	6	111.0710	0.538	6	111.0710	0.538	6	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){2|C<3>,4|C<4>,6|H<1>}	112.2880	0.000	1	111.0710	0.538	6	111.0710	0.538	6	111.0710	0.538	6	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	110.8505	0.548	4	111.0710	0.538	6	111.0710	0.538	6	111.0710	0.538	6	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:2:3:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:2:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	112.7710	0.000	1	112.7710	0.000	1	112.7710	0.000	1	112.9840	0.537	4	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:2:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	113.0560	0.000	1	113.0560	0.000	1	113.0550	0.775	3	112.9840	0.537	4	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:2:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	113.9350	0.000	1	113.9350	0.000	1	113.0550	0.775	3	112.9840	0.537	4	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:2:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	112.1740	0.000	1	112.1740	0.000	1	113.0550	0.775	3	112.9840	0.537	4	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:3:2:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:O[3]-2:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,8|H<1>}	112.5400	0.165	2	112.5400	0.027	2	112.5400	0.027	2	112.5400	0.027	2	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:3:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:N[3]-3:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	113.9455	0.640	2	113.9455	0.410	2	113.9455	0.410	2	113.9455	0.410	2	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2{7|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|C<4>,7|H<1>}	115.5900	0.000	1	115.5900	0.000	1	115.5900	0.000	1	114.5370	3.017	11	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|H<1>,7|C<4>}	117.1520	0.000	1	117.1520	0.000	1	117.1520	0.000	1	114.5370	3.017	11	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	118.3570	0.000	1	118.3570	0.000	1	116.0035	11.078	2	114.5370	3.017	11	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	113.6500	0.000	1	113.6500	0.000	1	116.0035	11.078	2	114.5370	3.017	11	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,9|H<1>}	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	114.5370	3.017	11	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|N<3>,2|C<4>,7|H<1>}	113.8505	0.084	2	113.8505	0.007	2	113.5618	0.115	6	114.5370	3.017	11	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	113.2960	0.308	2	113.4175	0.107	4	113.5618	0.115	6	114.5370	3.017	11	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[6,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){3|C<4>,7|H<1>}	113.5390	0.407	2	113.4175	0.107	4	113.5618	0.115	6	114.5370	3.017	11	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|O<2>,7|C<4>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	112.2250	0.000	1	112.2250	0.000	1	112.2250	0.000	1	111.4340	2.305	4	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	110.5080	0.000	1	110.5080	0.000	1	111.8280	3.485	2	111.4340	2.305	4	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|O<2>,7|C<4>}	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	113.1480	0.000	1	113.1480	0.000	1	111.8280	3.485	2	111.4340	2.305	4	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[3]C[3,6]){1|C<4>,1|N<3>,6|H<1>}	109.8550	0.000	1	109.8550	0.000	1	109.8550	0.000	1	111.4340	2.305	4	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	118.3130	0.000	1	118.3130	0.000	1	117.8875	0.907	19	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	116.3310	0.000	1	117.8639	0.949	18	117.8875	0.907	19	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{2|C<3>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	117.9220	0.000	1	117.8639	0.949	18	117.8875	0.907	19	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,5|C<4>,7|H<1>}	119.1110	0.000	1	117.8639	0.949	18	117.8875	0.907	19	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	117.8791	0.934	15	117.8639	0.949	18	117.8875	0.907	19	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6,6](C[3,6]C[5,6]C[3]C)(C[6,6]C[5,6]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	115.5870	0.000	1	115.5870	0.000	1	115.5870	0.000	1	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	114.1100	0.000	1	114.1100	0.000	1	112.8067	1.279	3	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(H)2{2|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	112.0840	0.000	1	112.0840	0.000	1	112.8067	1.279	3	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[3,6,6]HH)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[3,6,6]HH)(H)2{1|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){6|C<4>,7|H<1>}	112.2260	0.000	1	112.2260	0.000	1	112.8067	1.279	3	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[5,6]HH)(H)2	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[5,6]HH)(H)2{5|C<4>}	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	112.2180	0.000	1	112.2180	0.000	1	113.1085	1.586	2	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]N[5,6]HH)(H)2	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	C[3,6,6](C[3,5,6,6]C[5,6]N[5,6]C[3])(C[3]C[3,5,6,6]ClH)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	113.9990	0.000	1	113.9990	0.000	1	113.1085	1.586	2	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,4|C<4>,7|H<1>}	109.7630	0.000	1	110.6442	1.554	5	109.9150	1.028	14	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	110.8645	1.322	4	110.6442	1.554	5	109.9150	1.028	14	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){6|C<4>,7|H<1>}	109.5099	0.613	9	109.5099	0.376	9	109.9150	1.028	14	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C[3,6,6](C[3,6,6]C[3]C[6]2)(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	114.4390	0.000	1	114.4390	0.000	1	114.4390	0.000	1	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	112.7790	0.000	1	112.7790	0.000	1	113.1943	0.330	3	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	113.4020	0.634	2	113.4020	0.401	2	113.1943	0.330	3	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6]C[6,6]HO)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	114.2878	13.147	45	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:2:1:	4:2:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H)	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	115.0220	0.000	1	115.0220	0.000	1	113.4005	5.259	2	113.4005	5.259	2	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:2:1:	4:2:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H)	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	111.7790	0.000	1	111.7790	0.000	1	113.4005	5.259	2	113.4005	5.259	2	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:2:1:	4:3:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	117.7340	0.000	1	117.7340	0.000	1	117.7340	0.000	1	117.7340	0.000	1	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	109.8500	0.505	2	109.8500	0.255	2	109.8500	0.255	2	110.7943	2.253	6	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	110.6940	0.000	1	111.9613	1.271	3	111.2665	2.779	4	110.7943	2.253	6	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|O<2>,3|C<4>,6|H<1>}	112.5950	0.365	2	111.9613	1.271	3	111.2665	2.779	4	110.7943	2.253	6	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	109.1820	0.000	1	109.1820	0.000	1	111.2665	2.779	4	110.7943	2.253	6	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:2:1:	4:4:4:3:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.0250	0.000	1	113.0250	0.000	1	113.0250	0.000	1	113.0250	0.000	1	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:4:1:	4:2:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2{4|C<4>,6|H<1>}	113.5370	0.000	1	113.5370	0.000	1	113.5370	0.000	1	113.5370	0.000	1	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:4:3:	4:4:4:2:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CC)(H)2	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	114.2270	0.000	1	114.2270	0.000	1	114.2270	0.000	1	114.2270	0.000	1	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:1:1:	4:4:4:4:	4:2:4:4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[3x6]CC)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[3,6,6]HH)(CH3)2	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[3x6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[3,6,6]HH)(CH3)2{1|H<1>,2|O<2>,5|C<4>}	C[3,6,6](C[3,6,6]C[4x6]O[3]O[6])(O[3]C[3,6,6])(C[6]C[6]HH)2{2|H<1>,6|C<4>}	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:1:1:	4:3:4:4:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO){6|C<4>,6|H<1>}	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:2:1:	4:4:3:1:	4:4:4:2:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H){2|H<1>,5|C<4>}	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[3,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(H)2	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	C[6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC){6|C<4>,7|H<1>}	110.8790	0.000	1	110.8790	0.000	1	110.8790	0.000	1	110.8790	0.000	1	113.5605	8.877	94	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:3:4:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[3,6]C[6a]H)(C[6]C[5,6]HH)(COO)(H)	C[3,6](C[3,6]C[5,6]C[6a]O[3])(C[6]C[6a]C[6]H)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[3,6]C[6a]H)(C[6]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[3,6](C[3,6]C[5,6]C[6a]O[3])(C[6]C[6a]C[6]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,7|C<3>}	110.7470	0.000	1	110.7470	0.000	1	110.7470	0.000	1	110.7470	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	2:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	O[6]-2:C[3]-4:C[3]-4:C[6]-4:	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](O[6]C[6,6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[3,6](O[6]C[6,6a])(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HH){2|C<3>,2|H<1>}	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	3:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3]){2|C<3>,2|H<1>}	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	4:3:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	112.3000	0.288	2	112.3000	0.083	2	112.3000	0.083	2	112.3000	0.083	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	4:3:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3]-4:C[6]-3:C[3]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HH)(H)2{2|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH){2|H<1>,4|C<3>}	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	113.2030	0.000	1	113.2030	0.000	1	111.5361	4.892	7	111.5361	4.892	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,3|C<3>}	113.0360	0.000	1	113.0360	0.000	1	111.5361	4.892	7	111.5361	4.892	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	114.0570	0.000	1	113.4130	0.829	2	111.5361	4.892	7	111.5361	4.892	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	112.7690	0.000	1	113.4130	0.829	2	111.5361	4.892	7	111.5361	4.892	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|Cl<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	108.8200	0.000	1	108.8200	0.000	1	111.5361	4.892	7	111.5361	4.892	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	109.7750	0.000	1	109.4340	0.233	2	111.5361	4.892	7	111.5361	4.892	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{1|N<4>,2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	109.0930	0.000	1	109.4340	0.233	2	111.5361	4.892	7	111.5361	4.892	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>}	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	4:4:4:3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:N[6]-3:	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(N[6]C[6]2)	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6,6a]HH)(H)2{2|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(N[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	110.3285	0.173	2	110.3285	0.030	2	110.3285	0.030	2	110.3285	0.030	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	114.7270	0.000	1	114.7270	0.000	1	114.7270	0.000	1	114.7270	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[5,6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	111.6450	0.000	1	111.6450	0.000	1	114.5817	6.472	3	114.5817	6.472	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	116.0500	0.086	2	116.0500	0.007	2	114.5817	6.472	3	114.5817	6.472	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	3:4:4:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[3,4,6]-4:C[3,4,6]-4:C[6]-4:O-2:	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H)	C[3,6](C[3,4,6]C[3,4,6]C[4,6,6]N[6])(C[3,4,6]C[3,4,6]C[4,6,6]H)(C[6]C[6]HH)(OH)	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H){1|O<2>,4|C<4>}	C[3,6](C[3,4,6]C[3,4,6]C[4,6,6]N[6])(C[3,4,6]C[3,4,6]C[4,6,6]H)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	111.4780	0.000	1	111.4780	0.000	1	111.4780	0.000	1	111.4780	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:2:1:1:	3:4:3:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	N[3,6]-3:C[3]-4:C[6a]-3:C[6]-4:	C[6](C[3,6]N[3,6]C[6a]C[3])(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[3,6]N[3,6]C[6a]C[3])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>}	C[3,6](N[3,6]C[3]C[6])(C[3]N[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	111.5635	0.578	2	111.5635	0.334	2	111.5635	0.334	2	111.5635	0.334	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:2:1:1:	4:2:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3,4,6]-4:O[3]-2:C[6]-4:H-1:	C[6](C[3,6]C[3,4,6]O[3]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[4,6])(H)2	C[3,6](C[3,4,6]C[4,6]2O[3])(O[3]C[3,4,6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,4,6]O[3]H)(C[6]O[6]HH)(H)2{2|C<4>}	C[6](C[6]C[3,6]HH)(O[6]C[4,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,4,6]C[4,6]2O[3])(O[3]C[3,4,6])(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<3>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	110.8740	0.000	1	110.8740	0.000	1	111.4225	0.602	2	111.5320	0.337	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{1|C<3>,1|S<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>}	111.9710	0.000	1	111.9710	0.000	1	111.4225	0.602	2	111.5320	0.337	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	111.7510	0.000	1	111.7510	0.000	1	111.7510	0.000	1	111.5320	0.337	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:2:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	108.5730	0.803	3	108.5730	0.645	3	108.5730	0.645	3	109.8274	3.285	5	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:2:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	P[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[6]O[3]P[3])(C[6]O[6]HH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	C[3,6](P[3]C[5]O[3]W)(C[6]C[6]HH)2(O[3]P[3])	C[6](C[3,6]C[6]O[3]P[3])(C[6]O[6]HH)(H)2{1|W<6>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	C[3,6](P[3]C[5]O[3]W)(C[6]C[6]HH)2(O[3]P[3]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	111.7090	0.225	2	111.7090	0.051	2	111.7090	0.051	2	109.8274	3.285	5	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:2:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]HO)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	112.4065	0.612	2	112.4065	0.374	2	112.4065	0.374	2	112.4065	0.374	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:2:3:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H)	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(O[6]C[6])(CCO)(H){1|O<1>,3|C<4>}	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:1:1:	4:3:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	113.8390	0.000	1	113.8390	0.000	1	113.8390	0.000	1	113.8390	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|N<3>,1|O<1>,2|H<1>}	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]HH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	113.0360	0.000	1	113.0360	0.000	1	113.0360	0.000	1	113.0360	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)2(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)2(O[3]C[3]){1|N<3>,4|H<1>}	110.3727	0.535	4	110.3727	0.286	4	110.3727	0.286	4	110.3727	0.286	4	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H)	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H){1|H<1>,3|C<4>}	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	109.9290	0.000	1	109.9290	0.000	1	110.3485	0.352	2	109.7301	0.444	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(Br)(H){1|H<1>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	110.7680	0.000	1	110.7680	0.000	1	110.3485	0.352	2	109.7301	0.444	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	109.7301	0.444	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	109.3145	0.351	2	109.3145	0.124	2	109.3102	0.216	4	109.7301	0.444	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	109.3060	0.724	2	109.3060	0.524	2	109.3102	0.216	4	109.7301	0.444	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:2:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>}	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:3:1:	4:3:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[3,6]-4:C[6a]-3:C[6]-4:O[3]-2:	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[3]C[3,6])	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6a]C[6]H)(H)2{1|H<1>,6|C<3>}	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[3]C[3,6]){4|C<3>,4|H<1>}	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:3:1:	4:4:4:3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]C[6]H)(H)2{2|H<1>,2|S<4>,3|C<3>}	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:3:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H){1|H<1>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	111.8713	0.205	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:3:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H)	C[3,6](C[3,6]C[3]C[6]N)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]N)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.0330	0.503	2	112.0330	0.253	2	112.0330	0.253	2	111.8713	0.205	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	3:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-3:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]O[3])(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[3,6](C[3,6]C[6]O[3])(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	3:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[5a,6]C[3]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[5a,6]C[3]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[3,6](C[5a,6]C[5a,6]N[5a])(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,2|H<1>,2|N<2>}	113.3140	0.000	1	113.3140	0.000	1	113.3140	0.000	1	113.3140	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-4:	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[3,6]HH)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH)	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	3:5:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[3]-3:Nb[3]-5:C[6]-4:C[6]-4:	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](N[3]Nb[3]C[6])(Nb[3]N[3]HNN)(C[6]C[6]HH)2	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,5|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|Nb<5>,1|C<4>,1|N<3>,2|H<1>}	C[3,6](N[3]Nb[3]C[6])(Nb[3]N[3]HNN)(C[6]C[6]HH)2{3|C<4>,5|H<1>}	111.8095	0.712	2	111.8095	0.507	2	111.8095	0.507	2	111.8095	0.507	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:2:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6,6]C[3x6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[3,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3,6](C[3,6,6]C[3x6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	112.9168	1.334	4	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:2:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	113.4190	0.499	2	113.4190	0.249	2	113.4190	0.249	2	112.9168	1.334	4	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:2:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CH)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	112.9168	1.334	4	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:2:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[6]-4:C-4:	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,4|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(CH3){1|O<2>,3|H<1>,4|C<4>}	112.5720	0.000	1	112.5720	0.000	1	112.5720	0.000	1	112.5720	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:3:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	112.6047	1.902	4	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:3:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	111.0320	0.000	1	111.0320	0.000	1	112.2143	1.939	3	112.6047	1.902	4	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:3:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	112.8055	1.334	2	112.8055	1.780	2	112.2143	1.939	3	112.6047	1.902	4	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:3:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|N<3>,5|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	113.4723	2.122	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:3:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	111.8760	0.000	1	111.8760	0.000	1	113.3030	4.073	2	113.4723	2.122	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:3:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:C-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(CHHO){2|C<4>,3|H<1>}	114.7300	0.000	1	114.7300	0.000	1	113.3030	4.073	2	113.4723	2.122	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>}	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	112.9548	1.050	13	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	113.6928	1.041	4	113.6928	1.083	4	113.1780	1.385	7	112.9548	1.050	13	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	112.4917	1.138	3	112.4917	1.295	3	113.1780	1.385	7	112.9548	1.050	13	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]2C)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]2C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	112.5260	0.000	1	112.5260	0.000	1	112.8238	0.758	5	112.9548	1.050	13	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,1|S<4>,3|H<1>}	112.0910	0.000	1	112.0910	0.000	1	112.8238	0.758	5	112.9548	1.050	13	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	113.1673	1.013	3	113.1673	1.026	3	112.8238	0.758	5	112.9548	1.050	13	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CHH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CHH){2|C<4>,3|H<1>}	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CBrHH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,5|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CBrHH){2|C<4>,3|H<1>}	113.4240	0.000	1	113.4240	0.000	1	114.4613	2.699	6	114.3518	2.498	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	115.2180	0.000	1	114.0318	1.362	4	114.4613	2.699	6	114.3518	2.498	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,5|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	113.3200	0.000	1	114.0318	1.362	4	114.4613	2.699	6	114.3518	2.498	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,5|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	113.7945	1.435	2	114.0318	1.362	4	114.4613	2.699	6	114.3518	2.498	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|C<7>,1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|C<7>,3|H<1>}	117.2170	0.000	1	117.2170	0.000	1	114.4613	2.699	6	114.3518	2.498	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{3|O<2>,5|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|O<2>,2|C<4>,2|H<1>}	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	114.3518	2.498	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	115.6500	0.000	1	115.6500	0.000	1	114.3933	3.678	6	114.3518	2.498	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CCHH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CCHH){1|C<4>,4|H<1>}	113.2960	0.000	1	113.2960	0.000	1	114.3933	3.678	6	114.3518	2.498	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	112.9670	0.000	1	112.9670	0.000	1	114.3933	3.678	6	114.3518	2.498	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	114.8157	2.553	3	114.8157	6.518	3	114.3933	3.678	6	114.3518	2.498	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]HH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<4>,3|H<1>}	114.1180	0.000	1	114.1180	0.000	1	114.1180	0.000	1	114.3518	2.498	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:3:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[6](C[3,6]C[3,5,6]C[6a]C[3])(C[6]C[5,6,6]HH)(H)2	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[3,6]C[3,5,6]C[6a]C[3])(C[6]C[5,6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[3x5,6,6]C[5,6a]C[3])(C[3]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	115.2540	0.000	1	115.2540	0.000	1	115.2540	0.000	1	115.2540	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,5,6]C[5,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[3,6](C[3,5,6]C[5,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	117.8110	0.318	2	117.8110	0.101	2	117.8110	0.101	2	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.1250	0.000	1	115.1250	0.000	1	115.1250	0.000	1	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|S<2>,4|C<4>}	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[3,6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,3|H<1>}	115.3300	0.000	1	115.3300	0.000	1	115.3300	0.000	1	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,4,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2	C[3,6](C[3,4,6]C[4,6]2C[3])(C[3]C[3,4,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,4,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,4,6]C[4,6]2C[3])(C[3]C[3,4,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	114.7570	0.099	2	114.7570	0.010	2	114.7570	0.010	2	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,5|H<1>}	116.0730	0.000	1	116.8043	1.714	3	116.8043	1.714	3	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	117.1700	1.621	2	116.8043	1.714	3	116.8043	1.714	3	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,6|C<4>}	113.4830	0.000	1	113.4830	0.000	1	113.4245	0.007	2	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	113.3660	0.000	1	113.3660	0.000	1	113.4245	0.007	2	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CC)(H)2	C[3,6](C[3,6,6]C[6,6]2C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]2C[3])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.0290	0.000	1	112.0290	0.000	1	112.0290	0.000	1	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3,6,6]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3,6,6]C[6a]C[6])(C[3,6,6]C[3,6]C[6]O[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	113.3450	0.000	1	113.3450	0.000	1	113.3450	0.000	1	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	111.4180	0.000	1	111.4180	0.000	1	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.9177	0.384	3	111.9177	0.147	3	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	113.0360	0.000	1	113.0360	0.000	1	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C[3,6](C[3,6]C[3]C[6]I)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]I)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	111.7595	0.312	4	111.7595	0.097	4	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	115.7370	0.000	1	114.8335	1.633	2	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	113.9300	0.000	1	114.8335	1.633	2	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HI)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HI)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	112.2810	0.000	1	112.2810	0.000	1	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	112.6900	0.000	1	112.6900	0.000	1	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	112.8880	0.000	1	112.8880	0.000	1	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]TiC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|Ti<13>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]TiC)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	113.3740	0.373	2	113.3740	0.139	2	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]N[5])(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]N[5])(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.4060	0.000	2	112.4060	0.000	2	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|F<1>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]FF)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	114.4520	0.000	1	114.4520	0.000	1	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Br2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Br2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	110.6320	0.000	1	110.6320	0.000	1	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	110.7670	0.344	2	110.7670	0.118	2	112.4068	1.568	22	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:P[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]P[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]P[3]H)(P[3]C[3,6]ClW)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]P[3]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|W<6>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[3,6](C[3,6]C[6]P[3]H)(P[3]C[3,6]ClW)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	113.9830	0.880	2	113.9830	0.774	2	113.9830	0.774	2	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3,6]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.2085	0.668	2	113.2085	0.447	2	113.2085	0.447	2	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|P<4>,2|H<1>}	109.1410	0.000	1	109.1410	0.000	1	109.1410	0.000	1	113.3675	4.210	40	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,3|H<1>}	110.0015	0.202	2	109.7863	0.159	3	111.8585	17.282	4	111.1774	6.933	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,3|H<1>}	109.3560	0.000	1	109.7863	0.159	3	111.8585	17.282	4	111.1774	6.933	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|C<7>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){1|C<2>,1|C<3>,1|C<5>,1|C<6>,1|O<2>,3|C<4>,3|H<1>}	118.0750	0.000	1	118.0750	0.000	1	111.8585	17.282	4	111.1774	6.933	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[3,4]-4:C[6]-4:O-2:	C[6](C[3,6]C[3,4,6]C[3,4]O)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,4,6]C[4,6,6]C[3,4]H)(C[3,4]C[3,4,6]C[4]C)(C[6]C[6]HH)(OH)	C[6](C[3,6]C[3,4,6]C[3,4]O)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C[3,6](C[3,4,6]C[4,6,6]C[3,4]H)(C[3,4]C[3,4,6]C[4]C)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	115.0300	0.000	1	115.0300	0.000	1	115.0300	0.000	1	111.1774	6.933	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6]HH)(H)2{1|O<2>,7|C<4>}	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|H<1>,3|C<4>}	110.4950	0.000	1	110.4950	0.000	1	110.6480	0.047	2	111.1774	6.933	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{1|O<2>,7|C<4>}	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|H<1>,3|C<4>}	110.8010	0.000	1	110.8010	0.000	1	110.6480	0.047	2	111.1774	6.933	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	109.5210	0.000	1	109.5210	0.000	1	109.9300	0.335	2	111.1774	6.933	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,2|C<3>,4|H<1>}	110.3390	0.000	1	110.3390	0.000	1	109.9300	0.335	2	111.1774	6.933	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	111.1774	6.933	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	P[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[6]O[3]P[3])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](P[3]C[5]O[3]W)(C[6]C[6]HH)2(O[3]P[3])	C[6](C[3,6]C[6]O[3]P[3])(C[6]C[6]HH)(H)2{1|W<6>,2|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	C[3,6](P[3]C[5]O[3]W)(C[6]C[6]HH)2(O[3]P[3]){2|C<3>,2|C<4>,4|H<1>}	111.2297	1.535	4	111.2297	2.355	4	111.2297	2.355	4	111.1774	6.933	14	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-3:	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,6|H<1>}	113.4410	0.000	1	113.4410	0.000	1	113.4410	0.000	1	110.8575	13.349	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	108.2740	0.000	1	108.2740	0.000	1	108.2740	0.000	1	110.8575	13.349	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	113.2560	0.358	2	112.7130	1.005	4	113.3414	1.894	11	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	112.1700	1.307	2	112.7130	1.005	4	113.3414	1.894	11	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,6|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	114.8870	0.000	1	113.5683	1.404	4	113.3414	1.894	11	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	114.2400	0.000	1	113.5683	1.404	4	113.3414	1.894	11	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	112.5730	0.199	2	113.5683	1.404	4	113.3414	1.894	11	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|H<1>,6|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	114.8950	1.687	2	114.8950	2.846	2	113.3414	1.894	11	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|H<1>,6|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	111.8400	0.000	1	111.8400	0.000	1	113.3414	1.894	11	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	113.4730	0.000	1	113.4730	0.000	1	111.7241	1.945	14	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,3|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	110.3350	0.431	2	110.4350	0.078	4	111.7241	1.945	14	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	110.5350	0.095	2	110.4350	0.078	4	111.7241	1.945	14	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,3|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	112.6455	0.186	2	112.7177	0.033	3	111.7241	1.945	14	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	112.8620	0.000	1	112.7177	0.033	3	111.7241	1.945	14	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|N<3>,5|C<4>}	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	112.2050	0.000	1	112.2050	0.000	1	111.7241	1.945	14	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	109.7890	0.000	1	109.7890	0.000	1	111.7241	1.945	14	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	113.7700	0.000	1	113.7700	0.000	1	111.7241	1.945	14	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	111.6693	1.440	3	111.6693	2.074	3	111.7241	1.945	14	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{3|H<1>,5|C<4>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	108.6375	0.006	2	108.6375	0.000	2	108.5772	0.005	4	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{3|H<1>,5|C<4>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	108.5170	0.011	2	108.5170	0.000	2	108.5772	0.005	4	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2{1|Co<5>,1|C<4>,4|C<3>,6|H<1>}	109.8932	0.679	4	109.9255	0.221	8	109.9255	0.221	8	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6](C[3,5]C[3,5]C[5]N[5])2(C[6]C[6]HH)2{1|Fe<5>,1|C<4>,4|C<3>,6|H<1>}	109.9578	0.227	4	109.9255	0.221	8	109.9255	0.221	8	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CCHH)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	117.1730	0.000	1	117.1730	0.000	1	115.2888	3.993	6	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|C<3>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|H<1>}	113.7210	0.000	1	113.7210	0.000	1	115.2888	3.993	6	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HI)(C[6]C[6]HH)(CCHO)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HI)(C[6]C[6]HH)(CCHO){1|C<4>,4|H<1>}	112.0070	0.000	1	112.0070	0.000	1	115.2888	3.993	6	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	115.9690	0.000	1	115.9690	0.000	1	115.2888	3.993	6	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	116.6710	0.000	1	116.4315	0.115	2	115.2888	3.993	6	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	116.1920	0.000	1	116.4315	0.115	2	115.2888	3.993	6	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:N[6]-4:	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(C[6]C[6]HH)(N[6]C[6]2H)	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6]HH)(H)2{2|F<1>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]FF)(C[6]C[6]HH)(N[6]C[6]2H){3|C<4>,8|H<1>}	111.8800	0.000	1	111.8800	0.000	1	111.8800	0.000	1	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]2H)(H)2	C[3,6](C[3]C[3]FF)(C[3]C[3]HH)(C[6]C[6]HH)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,5|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]2H)(H)2{3|H<1>,5|C<4>}	C[3,6](C[3]C[3]FF)(C[3]C[3]HH)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	110.9825	0.293	2	110.9825	0.086	2	110.7163	1.300	9	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>}	109.3090	0.000	1	110.5366	2.354	5	110.7163	1.300	9	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|B<3>,1|H<1>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|B<3>,1|C<4>,3|H<1>}	110.5637	1.815	3	110.5366	2.354	5	110.7163	1.300	9	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	111.6830	0.000	1	110.5366	2.354	5	110.7163	1.300	9	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	C[3,6](C[3]C[3]CH)(C[3]C[3]HS)(C[6]C[6]HH)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,6|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6](C[3]C[3]CH)(C[3]C[3]HS)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	110.8995	0.725	2	110.8995	0.525	2	110.7163	1.300	9	111.7862	4.916	53	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:3:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]S)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	113.3840	0.953	2	113.3840	0.909	2	113.3840	0.909	2	113.3840	0.909	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	112.4180	0.000	1	112.4180	0.000	1	112.4180	0.000	1	112.8800	0.262	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(H)2{4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	112.7920	0.000	1	112.7920	0.000	1	112.7920	0.000	1	112.8800	0.262	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	113.4300	0.000	1	113.4300	0.000	1	113.4300	0.000	1	112.8800	0.262	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|H<1>,1|O<2>,3|C<4>}	112.3450	0.000	1	112.3450	0.000	1	112.3450	0.000	1	112.3450	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2{2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H){4|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,6|C<4>}	110.6490	0.000	1	110.6490	0.000	1	110.6490	0.000	1	111.8888	35.385	6	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H)	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	102.4640	0.000	1	102.4640	0.000	1	102.4640	0.000	1	111.8888	35.385	6	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H){1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	113.2340	0.000	1	113.2340	0.000	1	113.2340	0.000	1	111.8888	35.385	6	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	108.9030	0.000	1	108.9030	0.000	1	108.9030	0.000	1	111.8888	35.385	6	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	118.0415	0.357	2	118.0415	0.128	2	118.0415	0.128	2	111.8888	35.385	6	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H)	C[3,6](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6]C[6]HH)2	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	111.4430	2.455	2	111.4430	6.027	2	111.4430	6.027	2	111.1227	3.322	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H)	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{4|H<1>,5|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	110.4820	0.000	1	110.4820	0.000	1	110.4820	0.000	1	111.1227	3.322	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,3|H<1>}	114.2530	0.000	1	113.5163	0.752	3	113.5163	0.752	3	113.5163	0.752	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	113.1480	0.830	2	113.5163	0.752	3	113.5163	0.752	3	113.5163	0.752	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:3:1:	4:4:4:3:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]N[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:3:2:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi)	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[3]C[3]N[3]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|H<1>,1|O<1>,2|C<4>}	111.8230	0.158	2	111.8230	0.025	2	112.5400	1.555	3	112.8773	2.889	6	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,5|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	113.9740	0.000	1	113.9740	0.000	1	112.5400	1.555	3	112.8773	2.889	6	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5]C[6]H)(H)2	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[6](C[5]C[5]O[5]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	112.8773	2.889	6	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(H)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H){1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	115.4070	0.000	1	115.4070	0.000	1	115.4070	0.000	1	112.8773	2.889	6	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	113.4310	0.000	1	113.4310	0.000	1	113.4310	0.000	1	112.8773	2.889	6	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	114.0200	0.000	1	114.0200	0.000	1	113.7400	0.157	2	113.7400	0.157	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H){2|H<1>,2|O<2>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	113.4600	0.000	1	113.4600	0.000	1	113.7400	0.157	2	113.7400	0.157	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	117.5410	0.000	1	117.5410	0.000	1	117.5410	0.000	1	115.1063	9.469	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	118.4170	0.000	1	118.4170	0.000	1	114.7005	9.979	6	115.1063	9.469	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	116.9540	0.000	1	116.9540	0.000	1	114.7005	9.979	6	115.1063	9.469	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	112.0500	0.000	1	112.0500	0.000	1	114.7005	9.979	6	115.1063	9.469	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	111.7660	0.508	2	111.7660	0.258	2	114.7005	9.979	6	115.1063	9.469	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	117.2500	0.000	1	117.2500	0.000	1	114.7005	9.979	6	115.1063	9.469	7	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(OC)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(OC){1|C<3>,2|C<4>,2|H<1>}	111.6890	9.685	2	111.6890	93.790	2	111.6890	93.790	2	111.6890	93.790	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H)	C[3,6](C[3]C[3]HH)2(C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|F<1>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3]C[3]HH)2(C[6]C[6]CO)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	112.3250	0.000	1	112.3250	0.000	1	112.3250	0.000	1	112.3250	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:2:	4:4:4:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2{2|H<1>,4|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>}	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:2:	4:4:4:2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi)	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|H<1>,2|C<4>,2|O<2>}	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:1:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CC)(H)2	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){5|C<4>}	119.5293	2.021	3	119.5293	4.086	3	119.5293	4.086	3	119.5293	4.086	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	3:4:2:1:	3:4:4:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-3:C[3]-4:C[3]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H)	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>}	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:2:4:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H)	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	109.7740	0.370	3	109.7740	0.137	3	109.7740	0.137	3	109.7740	0.137	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<2>,2|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,3|H<1>}	112.1900	0.000	1	112.1900	0.000	1	112.1900	0.000	1	110.9047	1.273	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:3:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|N<3>,1|O<1>,2|H<1>}	110.2620	0.259	2	110.2620	0.067	2	110.2620	0.067	2	110.9047	1.273	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:3:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|H<1>}	112.8950	0.000	1	112.8950	0.000	1	112.8950	0.000	1	112.8950	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:3:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H){1|H<1>,2|C<4>}	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	111.2640	0.315	2	111.2640	0.099	2	111.2640	0.099	2	111.2640	0.099	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	113.7125	0.115	2	113.7125	0.013	2	113.7125	0.013	2	112.9859	0.922	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	114.4790	0.000	1	114.4790	0.000	1	114.4790	0.000	1	112.9859	0.922	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(Br)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	112.8180	0.423	2	112.8180	0.179	2	112.8180	0.179	2	112.9859	0.922	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	111.8155	0.330	2	111.8155	0.109	2	112.1157	0.325	3	112.9859	0.922	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	112.7160	0.000	1	112.7160	0.000	1	112.1157	0.325	3	112.9859	0.922	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(CC[3]HO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(CC[3]HO){2|H<1>,3|C<4>}	111.8700	0.000	1	111.8700	0.000	1	113.1743	2.074	3	113.1743	2.074	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<4>,4|H<1>}	112.9330	0.000	1	112.9330	0.000	1	113.1743	2.074	3	113.1743	2.074	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<4>,4|H<1>}	114.7200	0.000	1	114.7200	0.000	1	113.1743	2.074	3	113.1743	2.074	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:3:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[3]-3:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	C[3,6](C[6]C[6]CH)(C[6]C[6]HO)(C[3]O[3]H)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[3,6](C[6]C[6]CH)(C[6]C[6]HO)(C[3]O[3]H)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>}	108.8710	0.000	1	108.8710	0.000	1	108.8710	0.000	1	108.8710	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2{3|H<1>,5|C<4>}	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	114.9770	0.000	1	114.9770	0.000	1	114.9770	0.000	1	114.9770	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-2:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]HO)(CC)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]HO)(CC){1|C<4>,4|H<1>}	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	110.2599	5.076	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>}	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	106.8370	0.000	1	106.8370	0.000	1	107.9660	2.549	2	110.2599	5.076	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<4>,2|C<3>,4|H<1>}	109.0950	0.000	1	109.0950	0.000	1	107.9660	2.549	2	110.2599	5.076	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3x6]C[3x6]C[6]2)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,6|H<1>}	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	110.2599	5.076	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H){2|C<4>,5|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){4|C<4>,4|H<1>}	112.7770	0.000	1	112.7770	0.000	1	112.7770	0.000	1	110.2599	5.076	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	107.7000	0.000	1	107.7000	0.000	1	109.5773	2.648	3	110.2599	5.076	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,5|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	C[3,6](C[6,6]C[6,6]C[6]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){4|C<4>,4|H<1>}	110.5160	0.098	2	110.5160	0.010	2	109.5773	2.648	3	110.2599	5.076	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	112.3395	1.899	2	112.3395	3.605	2	112.3395	3.605	2	111.5751	4.010	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	108.3490	0.000	1	108.3490	0.000	1	111.3203	4.581	6	111.5751	4.010	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	112.8490	0.000	1	112.8490	0.000	1	111.3203	4.581	6	111.5751	4.010	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	111.6810	1.934	4	111.6810	3.740	4	111.3203	4.581	6	111.5751	4.010	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO){1|C<4>,2|H<1>,2|O<2>}	111.7720	0.000	1	111.7720	0.000	1	112.4915	1.035	2	112.4915	1.035	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO){1|C<4>,2|H<1>,2|O<2>}	113.2110	0.000	1	113.2110	0.000	1	112.4915	1.035	2	112.4915	1.035	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OOs)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OOs)(H){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	111.6100	0.000	1	111.6100	0.000	1	111.6100	0.000	1	111.6100	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[3]-4:C[6]-4:O[6]-2:	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H)	C[3,6](C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HO)(O[6]C[6])	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[3]C[3]HH)(C[3]C[3]HO)(C[6]C[6]HO)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>}	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	109.1123	0.114	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H)	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H){1|C<4>,6|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|O<2>}	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	109.1123	0.114	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	108.8180	0.000	1	108.8180	0.000	1	108.8180	0.000	1	109.1123	0.114	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	115.0210	0.000	1	115.0210	0.000	1	114.5395	0.464	2	114.5395	0.464	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	114.0580	0.000	1	114.0580	0.000	1	114.5395	0.464	2	114.5395	0.464	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC){1|C<3>,2|C<4>,2|H<1>}	116.3120	0.000	1	116.3120	0.000	1	115.5990	1.017	2	115.5990	1.017	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:1:	4:4:4:2:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:O-2:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(OC){1|C<3>,2|C<4>,2|H<1>}	114.8860	0.000	1	114.8860	0.000	1	115.5990	1.017	2	115.5990	1.017	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:2:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2{1|H<1>,2|O<2>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|O<2>,4|C<4>}	114.2680	0.000	1	114.2680	0.000	1	114.2680	0.000	1	114.2680	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	3:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6a]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H)	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6a]H)(COO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|H<1>,3|C<3>}	113.4140	0.000	1	113.4140	0.000	1	113.4140	0.000	1	113.4140	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	3:4:3:1:	4:4:3:1:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]N[3]H)(C[6]C[6a]C[6]H)(N[3]C[3,6]S)(H){1|H<1>,5|C<3>}	111.7900	0.000	1	111.7900	0.000	1	111.7900	0.000	1	111.7900	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:3:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[3,6](C[3,6]C[6a]N[6]O[3])(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6a]C[6]H)(COO)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6a]N[6]O[3])(C[6]C[6]CH)(O[3]C[3,6])(H){1|H<1>,1|S<4>,4|C<3>}	106.0750	0.000	1	106.0750	0.000	1	106.0750	0.000	1	106.0750	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	110.8550	0.000	1	110.8550	0.000	1	110.8550	0.000	1	110.9157	0.076	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	110.6750	0.000	1	110.6750	0.000	1	110.9460	0.147	2	110.9157	0.076	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	111.2170	0.000	1	111.2170	0.000	1	110.9460	0.147	2	110.9157	0.076	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6,6]HH)(H)2	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]CH)(CCHH)	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]CH)(CCHH){3|C<4>,5|H<1>}	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	114.4153	0.148	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3,6]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH){1|C<4>,2|C<3>,4|H<1>}	114.6205	0.207	2	114.6205	0.043	2	114.6205	0.043	2	114.4153	0.148	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	112.0195	0.112	2	112.0195	0.013	2	111.8923	0.055	3	111.8923	0.055	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	111.6380	0.000	1	111.6380	0.000	1	111.8923	0.055	3	111.8923	0.055	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:N[5a]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6a]C[6]H)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6a]C[6]H)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:4:4:2:	4:4:4:1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	112.2835	0.359	2	110.0115	26.927	4	110.0115	26.927	4	110.0115	26.927	4	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:4:4:2:	4:4:4:1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,4|C<4>,6|H<1>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	102.2620	0.000	1	110.0115	26.927	4	110.0115	26.927	4	110.0115	26.927	4	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:4:4:2:	4:4:4:1:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,2|H<1>,6|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,5|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]O)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	113.2170	0.000	1	110.0115	26.927	4	110.0115	26.927	4	110.0115	26.927	4	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:1:	4:4:4:2:	4:4:4:2:	C[3,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,3|H<1>,6|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){2|O<2>,4|H<1>,5|C<4>}	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3]){2|C<4>,3|H<1>}	104.8100	0.000	1	104.8100	0.000	1	104.8100	0.000	1	105.8465	2.149	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:3:4:	4:4:1:1:	4:4:4:2:	C[3,6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	C[6](C[6]C[3,6]CC)(C[6]C[5,6]HH)(H)2	C[3,6](C[5,6]C[5,5]C[5,6]C)(C[3]O[3]CH)(C[6]C[6]CC)(O[3]C[3])	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[5,6]C[5,5]C[5,6]C)(C[3]O[3]CH)(C[6]C[6]CC)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	106.8830	0.000	1	106.8830	0.000	1	106.8830	0.000	1	105.8465	2.149	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	3:4:1:1:	4:3:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6a]-3:C[3]-4:C[6]-4:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH){3|H<1>,5|C<3>}	107.1540	0.000	1	107.1540	0.000	1	107.1540	0.000	1	107.1540	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:3:1:1:	4:4:3:4:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-4:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H)	C[6](C[6]C[3,6]C[6]H)(N[6]C[6]S)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6]N[6]H)(C[6]N[6]HH)(H){2|C<3>,2|S<4>,3|C<4>,5|H<1>}	C[6](C[6]C[3,6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]2H){1|C<4>,2|C<3>,2|N<3>,7|H<1>}	121.9720	0.000	1	121.9720	0.000	1	121.9720	0.000	1	121.9720	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:B[6a]-3:C[6]-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H){2|Cl<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H){2|B<3>,2|H<1>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|B<3>,1|C<4>,3|H<1>}	109.8997	0.207	3	109.8997	0.043	3	109.8997	0.043	3	109.8997	0.043	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:2:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H){1|C<4>,4|H<1>}	110.7020	0.000	1	110.7020	0.000	1	110.7020	0.000	1	110.7020	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	108.7692	0.288	4	108.7692	0.083	4	108.7692	0.083	4	108.7692	0.083	4	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,5|H<1>}	109.8240	0.000	1	109.8240	0.000	1	109.5985	4.534	8	109.5985	4.534	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,5|H<1>}	111.0380	0.611	4	111.0380	0.374	4	109.5985	4.534	8	109.5985	4.534	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	106.4290	1.434	2	106.4290	2.056	2	109.5985	4.534	8	109.5985	4.534	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	109.9540	0.000	1	109.9540	0.000	1	109.5985	4.534	8	109.5985	4.534	8	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	105.9760	0.000	1	105.9760	0.000	1	108.0065	8.246	2	108.0065	8.246	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	110.0370	0.000	1	110.0370	0.000	1	108.0065	8.246	2	108.0065	8.246	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H){4|C<4>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HO)(OOs)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HO)(OOs)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	106.4030	0.000	1	106.4030	0.000	1	106.4030	0.000	1	106.4030	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H)	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H){3|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	109.4090	0.000	1	109.4090	0.000	1	110.1650	1.143	2	110.1650	1.143	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H){2|C<4>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>}	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|H<1>,2|C<4>,2|O<2>}	110.9210	0.000	1	110.9210	0.000	1	110.1650	1.143	2	110.1650	1.143	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H){2|H<1>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:2:2:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:C-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H){2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]O)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]O)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	114.1850	0.000	1	114.1850	0.000	1	114.1850	0.000	1	114.1850	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:3:2:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[5]-3:O-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	112.4890	0.000	1	110.2425	12.637	4	110.2425	12.637	4	110.4394	9.671	5	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	114.0530	0.000	1	110.2425	12.637	4	110.2425	12.637	4	110.4394	9.671	5	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	107.2140	0.017	2	110.2425	12.637	4	110.2425	12.637	4	110.4394	9.671	5	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	111.2270	0.000	1	111.2270	0.000	1	111.2270	0.000	1	110.4394	9.671	5	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	112.8410	0.000	1	112.8410	0.000	1	112.8410	0.000	1	112.8410	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	112.9530	0.000	1	112.9530	0.000	1	112.9530	0.000	1	112.3993	0.288	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	112.3640	0.000	1	112.3640	0.000	1	112.1225	0.117	2	112.3993	0.288	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Cl<1>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	111.8810	0.000	1	111.8810	0.000	1	112.1225	0.117	2	112.3993	0.288	3	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[6]-4:C[6]-4:O-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H)	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:3:	4:4:2:1:	C[3,6]-4:C[6]-4:S-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H)	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HS)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HS)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	113.3020	0.000	1	113.3020	0.000	1	113.3020	0.000	1	113.3020	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:3:	4:4:3:2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C[3]-3:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH)	C[3,6](C[6]C[6]CH)(C[6]C[6]HO)(C[3]O[3]H)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[6]C[6]CH)(C[6]C[6]HO)(C[3]O[3]H)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>}	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,6|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	114.1580	0.000	1	114.1580	0.000	1	114.1580	0.000	1	114.1580	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:2:4:4:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[6]-4:C-4:	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH)	C[6](C[6]C[3,6]CO)(C[6]C[5,6]HH)(H)2	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CO)(CH3)	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH){2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CO)(CH3){1|O<2>,3|C<4>,4|H<1>}	111.2390	0.321	2	111.2390	0.103	2	111.2390	0.103	2	111.2390	0.103	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:3:4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H){1|C<4>,4|H<1>}	111.2470	0.000	1	111.2470	0.000	1	111.2470	0.000	1	111.2470	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH)	C[6](C[6]C[3,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[5]C[6]O)(O[3]C[3,5,6])(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[3,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[5]C[6]O)(O[3]C[3,5,6])(H){2|C<3>,4|C<4>,5|H<1>}	112.0430	0.000	1	112.0430	0.000	1	112.0430	0.000	1	112.0430	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[3,6]CO)(C[6]C[6,6]HH)(H)2	C[3,6](C[3,6,6]C[5,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]CO)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH){2|C<4>,4|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[3,6](C[3,6,6]C[5,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>}	111.0170	0.000	1	111.0170	0.000	1	111.0170	0.000	1	111.0170	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:2:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H)	C[3,6](C[3]C[3]HH)2(C[6]C[6]CO)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,6|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H){1|H<1>,4|C<4>}	C[3,6](C[3]C[3]HH)2(C[6]C[6]CO)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	108.4560	0.000	1	108.4560	0.000	1	108.4560	0.000	1	108.4560	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	111.8040	0.000	1	111.8040	0.000	1	111.8040	0.000	1	111.8040	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:3:	4:4:4:1:	4:4:4:2:	C[3,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3]){2|C<4>,3|H<1>}	107.9370	0.000	1	107.9370	0.000	1	107.9370	0.000	1	107.9370	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:4:	4:2:1:1:	4:3:4:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[3,3]-4:N[3,6]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[3,6]CC)(O[6]C[6])(H)2	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[3,6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	104.3330	0.000	1	104.3330	0.000	1	104.3330	0.000	1	104.3330	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:4:	4:2:3:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]CH)(CH3)2	C[6](C[6]C[3,6]CC)(O[6]C[6])(COO)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]CH)(CH3)2{1|C<4>,1|H<1>}	C[6](C[6]C[3,6]CC)(O[6]C[6])(COO)(H){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:4:	4:3:1:1:	3:3:4:2:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3)	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3){1|S<4>,3|C<3>}	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2{1|N<2>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|N<3>,3|H<1>,4|C<3>}	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3,6]CC)(C[6]C[6]H)(H)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CC)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	3:3:4:3:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-3:N[6]-3:C[6]-4:C[3]-3:	C[6](C[3,6]C[3]2N[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)2	C[3,6](C[3]C[6a]C[3])(N[6]C[6a]C[6])(C[6]C[6]CC)(C[3]C[3]C)	C[6](C[3,6]C[3]2N[6])(C[6]C[6]HH)(CH3)2{3|C<3>,3|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[3,6](C[3]C[6a]C[3])(N[6]C[6a]C[6])(C[6]C[6]CC)(C[3]C[3]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	106.1410	0.000	1	106.1410	0.000	1	106.1410	0.000	1	106.1410	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:2:3:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCH){1|C<4>,4|H<1>}	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:4:	4:4:1:1:	4:4:2:4:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO){1|C<4>,4|H<1>}	111.1480	0.000	1	111.1480	0.000	1	111.1480	0.000	1	111.1480	0.000	1	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO){1|O<2>,2|C<4>,2|H<1>}	109.6300	0.000	1	109.6300	0.000	1	108.4295	2.882	2	108.4295	2.882	2	111.8600	7.371	387	111.4024	8.683	931
466	466	486	6:SP3_SP3_SP3	C[6]	C[6]	C[3,6]	4:4:4:4:	4:4:4:1:	4:4:2:4:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH){2|C<4>,3|H<1>}	107.2290	0.000	1	107.2290	0.000	1	108.4295	2.882	2	108.4295	2.882	2	111.8600	7.371	387	111.4024	8.683	931