486	486	952	0:SP3_SP3_SP3	C[3,3]	C[3,3]	S	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[3,3]-4:C[3]-4:C[3]-4:S-4:	C[3,3]-4:C[3]-4:C[3]-4:H-1:	C[3,3]-4:C[6a]-3:O-1:O-1:	C[3,3](C[3,3]C[3]2H)(C[3]C[3,3]HH)2(SC[6a]OO)	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(H)	S(C[3,3]C[3,3]C[3]2)(C[6a]C[6a]2)(O)2	C[3,3](C[3,3]C[3]2H)(C[3]C[3,3]HH)2(SC[6a]OO)	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(H)	S(C[3,3]C[3,3]C[3]2)(C[6a]C[6a]2)(O)2	120.1610	0.000	1	120.1610	0.000	1	120.1610	0.000	1	120.1610	0.000	1	125.1352	6.371	10	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,3]	C[3,3]	S	4:4:4:4:	4:4:4:3:	4:3:1:1:	C[3,3]-4:C[3]-4:C[3]-4:S-4:	C[3,3]-4:C[3]-4:C[3]-4:C[6a]-3:	C[3,3]-4:C[6a]-3:O-1:O-1:	C[3,3](C[3,3]C[6a]C[3]2)(C[3]C[3,3]HH)2(SC[6a]OO)	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2)	S(C[3,3]C[3,3]C[3]2)(C[6a]C[6a]2)(O)2	C[3,3](C[3,3]C[6a]C[3]2)(C[3]C[3,3]HH)2(SC[6a]OO){2|C<3>}	C[3,3](C[3,3]C[3]2S)(C[3]C[3,3]HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	S(C[3,3]C[3,3]C[3]2)(C[6a]C[6a]2)(O)2	125.6879	1.931	9	125.6879	3.731	9	125.6879	3.731	9	125.6879	3.731	9	125.1352	6.371	10	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,3]	C[3]	S	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[3,3]-4:C[3]-4:C[3]-4:S-4:	C[3,3]-4:C[3,3]-4:H-1:H-1:	C[3,3]-4:C[6a]-3:O-1:O-1:	C[3,3](C[3,3]C[3]2H)(C[3]C[3,3]HH)2(SC[6a]OO)	C[3](C[3,3]C[3,3]C[3]H)(C[3,3]C[3,3]C[3]S)(H)2	S(C[3,3]C[3,3]C[3]2)(C[6a]C[6a]2)(O)2	C[3,3](C[3,3]C[3]2H)(C[3]C[3,3]HH)2(SC[6a]OO)	C[3](C[3,3]C[3,3]C[3]H)(C[3,3]C[3,3]C[3]S)(H)2{2|H<1>}	S(C[3,3]C[3,3]C[3]2)(C[6a]C[6a]2)(O)2	127.1210	1.120	2	127.1210	1.255	2	128.5351	0.780	20	128.5351	0.780	20	128.5351	0.780	20	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,3]	C[3]	S	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[3,3]-4:C[3]-4:C[3]-4:S-4:	C[3,3]-4:C[3,3]-4:H-1:H-1:	C[3,3]-4:C[6a]-3:O-1:O-1:	C[3,3](C[3,3]C[6a]C[3]2)(C[3]C[3,3]HH)2(SC[6a]OO)	C[3](C[3,3]C[3,3]C[6a]C[3])(C[3,3]C[3,3]C[3]S)(H)2	S(C[3,3]C[3,3]C[3]2)(C[6a]C[6a]2)(O)2	C[3,3](C[3,3]C[6a]C[3]2)(C[3]C[3,3]HH)2(SC[6a]OO){2|C<3>}	C[3](C[3,3]C[3,3]C[6a]C[3])(C[3,3]C[3,3]C[3]S)(H)2{2|C<3>,2|H<1>}	S(C[3,3]C[3,3]C[3]2)(C[6a]C[6a]2)(O)2	128.6922	0.733	18	128.6922	0.537	18	128.5351	0.780	20	128.5351	0.780	20	128.5351	0.780	20	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,4]	C[3,4]	S	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[3,4]-4:C[3]-4:C[4]-4:S-4:	C[3,4]-4:C[3]-4:C[4]-4:H-1:	C[3,4]-4:C[6a]-3:O-1:O-1:	C[3,4](C[3,4]C[3]C[4]H)(C[3]C[3,4]HH)(C[4]C[4]HH)(SC[6a]OO)	C[3,4](C[3,4]C[3]C[4]S)(C[3]C[3,4]HH)(C[4]C[4]HH)(H)	S(C[3,4]C[3,4]C[3]C[4])(C[6a]C[6a]2)(O)2	C[3,4](C[3,4]C[3]C[4]H)(C[3]C[3,4]HH)(C[4]C[4]HH)(SC[6a]OO){2|H<1>}	C[3,4](C[3,4]C[3]C[4]S)(C[3]C[3,4]HH)(C[4]C[4]HH)(H){2|H<1>}	S(C[3,4]C[3,4]C[3]C[4])(C[6a]C[6a]2)(O)2	122.3465	0.244	2	122.3465	0.060	2	122.3465	0.060	2	122.3465	0.060	2	122.3465	0.060	2	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,4]	C[3]	S	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[3,4]-4:C[3]-4:C[4]-4:S-4:	C[3,4]-4:C[3,4]-4:H-1:H-1:	C[3,4]-4:C[6a]-3:O-1:O-1:	C[3,4](C[3,4]C[3]C[4]H)(C[3]C[3,4]HH)(C[4]C[4]HH)(SC[6a]OO)	C[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]C[4]S)(H)2	S(C[3,4]C[3,4]C[3]C[4])(C[6a]C[6a]2)(O)2	C[3,4](C[3,4]C[3]C[4]H)(C[3]C[3,4]HH)(C[4]C[4]HH)(SC[6a]OO){2|H<1>}	C[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]C[4]S)(H)2{4|H<1>}	S(C[3,4]C[3,4]C[3]C[4])(C[6a]C[6a]2)(O)2	121.4605	0.176	2	121.4605	0.031	2	121.4605	0.031	2	121.4605	0.031	2	121.4605	0.031	2	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3,5,6]	S	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]C)(H)	S(C[3,5]C[3,5,6]C[3,6]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,5|H<1>}	S(C[3,5]C[3,5,6]C[3,6]C[5])(C[6a]C[6a]2)(O)2	121.8410	4.658	2	121.8410	21.701	2	121.8410	21.701	2	121.8410	21.701	2	124.8190	19.338	4	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3,5,6]	S	4:4:3:4:	4:4:4:4:	4:3:1:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	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)	S(C[3,5]C[3,5,6]C[3,6]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){4|C<4>,6|H<1>}	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>}	S(C[3,5]C[3,5,6]C[3,6]C[5])(C[6a]C[6a]2)(O)2	127.7970	0.916	2	127.7970	0.840	2	127.7970	0.840	2	127.7970	0.840	2	124.8190	19.338	4	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3,5]	S	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3]-4:C[5]-4:Br-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(Br)	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(Br){1|O<1>,2|H<1>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	121.6600	1.089	2	121.6600	1.186	2	121.6600	1.186	2	121.8386	8.496	5	121.3179	8.627	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3,5]	S	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]CC)(C[5]C[5]HH)(H)	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]CC)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	126.1160	0.000	1	126.1160	0.000	1	121.9577	16.345	3	121.8386	8.496	5	121.3179	8.627	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3,5]	S	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	119.8785	2.599	2	119.8785	6.753	2	121.9577	16.345	3	121.8386	8.496	5	121.3179	8.627	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3,5]	S	4:4:3:4:	4:4:4:4:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]N)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(CH3)	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]N)(SC[6a]OO){4|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(CH3){1|N<2>,2|H<1>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	120.1620	0.000	1	120.1620	0.000	1	121.6300	4.310	2	122.9583	7.448	3	121.3179	8.627	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3,5]	S	4:4:3:4:	4:4:4:4:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(CHHO)	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(CHHO){1|O<1>,2|H<1>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	123.0980	0.000	1	123.0980	0.000	1	121.6300	4.310	2	122.9583	7.448	3	121.3179	8.627	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3,5]	S	4:4:3:4:	4:4:4:4:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[5,5]-4:C[3,5]-4:C[3]-4:C-4:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[5,5]C[3]C)(C[3]C[3,5]HH)(C[5]C[5]H)(SC[6a]OO)	C[3,5](C[5,5]C[5,6a]C[5]2)(C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(CH3)	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[5,5]C[3]C)(C[3]C[3,5]HH)(C[5]C[5]H)(SC[6a]OO){3|C<3>}	C[3,5](C[5,5]C[5,6a]C[5]2)(C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	125.6150	0.000	1	125.6150	0.000	1	125.6150	0.000	1	122.9583	7.448	3	121.3179	8.627	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3,5]	S	4:4:4:4:	4:4:2:1:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-4:S-4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H)	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,1|O<2>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	117.7205	1.405	2	117.7205	1.974	2	118.8097	4.546	3	118.8097	4.546	3	121.3179	8.627	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3,5]	S	4:4:4:4:	4:4:2:1:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-4:S-4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(SC[6a]OO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H)	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(SC[6a]OO){1|H<1>,1|O<2>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	120.9880	0.000	1	120.9880	0.000	1	118.8097	4.546	3	118.8097	4.546	3	121.3179	8.627	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3,6]	S	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]HH)(H)	S(C[3,5]C[3,5,6]C[3,6]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){1|C<4>,2|C<3>,4|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]S)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	S(C[3,5]C[3,5,6]C[3,6]C[5])(C[6a]C[6a]2)(O)2	117.4270	3.613	2	117.4270	13.056	2	120.5350	17.615	4	120.5350	17.615	4	120.5350	17.615	4	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3,6]	S	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	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)	S(C[3,5]C[3,5,6]C[3,6]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){4|C<4>,6|H<1>}	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>}	S(C[3,5]C[3,5,6]C[3,6]C[5])(C[6a]C[6a]2)(O)2	123.6430	1.072	2	123.6430	1.149	2	120.5350	17.615	4	120.5350	17.615	4	120.5350	17.615	4	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3]	S	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5]Br)(C[3,5]C[3,5]C[5]S)(H)2	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3](C[3,5]C[3,5]C[5]Br)(C[3,5]C[3,5]C[5]S)(H)2{1|C<4>,1|O<1>,2|H<1>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	120.0115	1.143	2	120.0115	1.307	2	120.0091	1.852	7	120.0091	1.852	7	119.4229	3.816	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3]	S	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]N)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]S)(H)2	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]N)(SC[6a]OO){4|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	119.7510	0.000	1	119.7510	0.000	1	120.0091	1.852	7	120.0091	1.852	7	119.4229	3.816	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3]	S	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]S)(H)2	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]S)(H)2{1|C<4>,1|O<1>,2|H<1>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	120.2850	0.000	1	120.2850	0.000	1	120.0091	1.852	7	120.0091	1.852	7	119.4229	3.816	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3]	S	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]S)(H)2	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]S)(H)2{1|C<4>,1|O<1>,2|H<1>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	119.4865	2.840	2	119.4865	8.068	2	120.0091	1.852	7	120.0091	1.852	7	119.4229	3.816	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3]	S	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[5,5]C[3]C)(C[3]C[3,5]HH)(C[5]C[5]H)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5]S)(H)2	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[5,5]C[3]C)(C[3]C[3,5]HH)(C[5]C[5]H)(SC[6a]OO){3|C<3>}	C[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5]S)(H)2{1|H<1>,3|C<3>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	121.0320	0.000	1	121.0320	0.000	1	120.0091	1.852	7	120.0091	1.852	7	119.4229	3.816	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3]	S	4:4:3:4:	4:4:4:4:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]S)(CH3)2	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]S)(CH3)2{1|C<4>,1|O<1>,2|H<1>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	119.4229	3.816	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3]	S	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-4:S-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5]S)(C[3,5]C[3,5]O[5]H)(H)2	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,1|O<2>}	C[3](C[3,5]C[3,5]C[5]S)(C[3,5]C[3,5]O[5]H)(H)2{1|H<1>,2|C<4>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	116.5050	0.946	2	116.5050	0.895	2	117.2280	2.016	3	117.2280	2.016	3	119.4229	3.816	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,5]	C[3]	S	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[3,5]-4:C[3]-4:C[5]-4:S-4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[6a]-3:O-1:O-1:	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(SC[6a]OO)	C[3](C[3,5]C[3,5]C[5]S)(C[3,5]C[3,5]O[5]H)(H)2	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(SC[6a]OO){1|H<1>,1|O<2>}	C[3](C[3,5]C[3,5]C[5]S)(C[3,5]C[3,5]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>}	S(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(O)2	118.6740	0.000	1	118.6740	0.000	1	117.2280	2.016	3	117.2280	2.016	3	119.4229	3.816	11	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,6]	C[3,6,6]	S	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:S-4:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[3,6]-4:C[6a]-3:O-1:O-1:	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	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)	S(C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]2)(O)2	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,4|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>}	S(C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]2)(O)2	116.9680	0.000	1	116.9680	0.000	1	116.9680	0.000	1	116.9680	0.000	1	116.9680	0.000	1	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,6]	C[3,6]	S	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:S-4:	C[3,6,6]-4:C[3,6]-4:C[6]-4:H-1:	C[3,6]-4:C[6a]-3:O-1:O-1:	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]S)(C[6]C[6]HH)(H)	S(C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]2)(O)2	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]S)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	S(C[3,6]C[3,6,6]C[3,6]C[6])(C[6a]C[6a]2)(O)2	117.9110	0.000	1	117.9110	0.000	1	117.9110	0.000	1	117.9110	0.000	1	120.3845	12.236	2	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,6]	C[3,6]	S	4:4:3:4:	4:4:4:3:	4:3:1:1:	C[3,6]-4:C[3]-4:C[6]-3:S-4:	C[3,6]-4:C[3]-4:C[6]-4:C-3:	C[3,6]-4:C[6a]-3:O-1:O-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[3,6](C[3,6]C[3]C[6]S)(C[3]C[3,6]HH)(C[6]C[6]HH)(COO)	S(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]2)(O)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<4>,2|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>}	S(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]2)(O)2	122.8580	0.000	1	122.8580	0.000	1	122.8580	0.000	1	122.8580	0.000	1	120.3845	12.236	2	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3,6]	C[3]	S	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[3,6]-4:C[3]-4:C[6]-3:S-4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6a]-3:O-1:O-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]S)(H)2	S(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]2)(O)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<4>,2|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	S(C[3,6]C[3,6]C[3]C[6])(C[6a]C[6a]2)(O)2	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3,5,6]	S	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[3,5,6]-4:C[3,5,6]-4:S-4:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[3]-4:C[6a]-3:O-1:O-1:	C[3](C[3,5,6]C[3,5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[5,5,6]H)(SC[6a]OO)(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]C)(C[3]C[3,5,6]HS)(H)	S(C[3]C[3,5,6]2H)(C[6a]C[6a]2)(O)2	C[3](C[3,5,6]C[3,5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[5,5,6]H)(SC[6a]OO)(H){1|O<2>,4|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]C)(C[3]C[3,5,6]HS)(H){5|C<3>}	S(C[3]C[3,5,6]2H)(C[6a]C[6a]2)(O)2	118.8160	0.000	1	118.8160	0.000	1	118.8160	0.000	1	118.8160	0.000	1	119.1135	0.177	2	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3,5,6]	S	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[3,5,6]-4:C[3,5,6]-4:S-4:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:C-4:	C[3]-4:C[6a]-3:O-1:O-1:	C[3](C[3,5,6]C[3,5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[5,5,6]H)(SC[6a]OO)(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(CCHH)	S(C[3]C[3,5,6]2H)(C[6a]C[6a]2)(O)2	C[3](C[3,5,6]C[3,5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[5,5,6]H)(SC[6a]OO)(H){1|O<2>,4|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(CCHH){5|C<3>}	S(C[3]C[3,5,6]2H)(C[6a]C[6a]2)(O)2	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	119.1135	0.177	2	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3,6]	S	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[3,6]-4:C[3]-4:S-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[3]-4:C[6a]-3:O-1:O-1:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(SC[6a]OO)(H)	C[3,6](C[3]C[3]CH)(C[3]C[3]HS)(C[6]C[6]HH)2	S(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(O)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(SC[6a]OO)(H){2|C<4>,4|H<1>}	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>}	S(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(O)2	125.1030	0.000	1	125.1030	0.000	1	125.1030	0.000	1	125.1030	0.000	1	125.1030	0.000	1	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:2:4:3:	3:4:2:1:	4:4:1:1:	C[3]-4:O[3]-2:S-4:C-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:O-1:O-1:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(SC[3]OO)(CC[6a]O)	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	S(C[3]C[3]O[3]C)2(O)2	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(SC[3]OO)(CC[6a]O){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	S(C[3]C[3]O[3]C)2(O)2	113.7675	1.726	2	113.7675	2.979	2	113.7675	2.979	2	113.7675	2.979	2	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:3:4:1:	3:4:3:1:	4:3:1:1:	C[3]-4:N[3]-3:S-4:H-1:	C[6a]-3:C[3]-4:N[3]-3:H-1:	C[3]-4:C[6a]-3:O-1:O-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(SC[6a]OO)(H)	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H)	S(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)2	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(SC[6a]OO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]N[3]HS)(N[3]C[3]S)(H){2|C<3>,2|H<1>}	S(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)2	128.0600	0.000	1	128.0600	0.000	1	128.0600	0.000	1	128.0600	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:3:4:1:	4:3:1:1:	3:4:1:1:	C[3]-4:C[3]-3:S-4:H-1:	C[3]-4:C[3]-3:H-1:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]HH)(C[3]C[3]C)(SC[6a]OO)(H)	C[3](C[3]C[3]HS)(C[3]C[3]C)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[3]HH)(C[3]C[3]C)(SC[6a]OO)(H)	C[3](C[3]C[3]HS)(C[3]C[3]C)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	118.5130	0.000	1	118.5130	0.000	1	118.5130	0.000	1	118.5130	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[3]-4:N[3]-3:S-4:H-1:	C[3]-4:N[3]-3:H-1:H-1:	C[3]-4:C[6a]-3:O-1:O-1:	C[3](C[3]N[3]HH)(N[3]C[3]C)(SC[6a]OO)(H)	C[3](C[3]N[3]HS)(N[3]C[3]C)(H)2	S(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)2	C[3](C[3]N[3]HH)(N[3]C[3]C)(SC[6a]OO)(H)	C[3](C[3]N[3]HS)(N[3]C[3]C)(H)2	S(C[3]C[3]N[3]H)(C[6a]C[6a]2)(O)2	118.0670	0.000	1	118.0670	0.000	1	118.0670	0.000	1	118.0670	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:3:4:1:	4:3:2:1:	3:4:1:1:	C[3]-4:C[3]-3:S-4:H-1:	C[3]-4:C[3]-3:C-2:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)(C[3]C[3]C)(SC[6a]OO)(H)	C[3](C[3]C[3]HS)(C[3]C[3]C)(CN)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[3]CH)(C[3]C[3]C)(SC[6a]OO)(H)	C[3](C[3]C[3]HS)(C[3]C[3]C)(CN)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:3:4:1:	4:3:4:1:	3:4:1:1:	C[3]-4:C[3]-3:S-4:H-1:	C[3]-4:C[3]-3:S-4:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]HS)(C[3]C[3]C)(SC[6a]OO)(H)	C[3](C[3]C[3]HS)(C[3]C[3]C)(SC[6a]OO)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[3]HS)(C[3]C[3]C)(SC[6a]OO)(H)	C[3](C[3]C[3]HS)(C[3]C[3]C)(SC[6a]OO)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	115.0270	2.588	2	115.0270	6.698	2	115.0270	6.698	2	115.0270	6.698	2	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:3:4:3:	4:3:1:1:	3:4:1:1:	C[3]-4:C[3]-3:S-4:C-3:	C[3]-4:C[3]-3:H-1:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]HH)(C[3]C[3]C)(SC[6a]OO)(CCO)	C[3](C[3]C[3]CS)(C[3]C[3]C)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C[3](C[3]C[3]HH)(C[3]C[3]C)(SC[6a]OO)(CCO)	C[3](C[3]C[3]CS)(C[3]C[3]C)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	113.9040	0.000	1	113.9040	0.000	1	113.9040	0.000	1	113.9040	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:2:3:	4:2:4:1:	4:3:1:1:	C[3]-4:S-4:O[3]-2:S-3:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6a]-3:O-1:O-1:	C[3](C[3]O[3]CH)(SC[6a]OO)(O[3]C[3])(SC[6a]O)	C[3](C[3]O[3]SS)(O[3]C[3])(CCCH)(H)	S(C[3]C[3]O[3]S)(C[6a]C[6a]2)(O)2	C[3](C[3]O[3]CH)(SC[6a]OO)(O[3]C[3])(SC[6a]O)	C[3](C[3]O[3]SS)(O[3]C[3])(CCCH)(H)	S(C[3]C[3]O[3]S)(C[6a]C[6a]2)(O)2	116.5590	0.000	1	116.5590	0.000	1	116.5590	0.000	1	116.5590	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	3:4:4:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HS)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HS)(H){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	114.4760	0.658	2	114.4760	0.432	2	114.4760	0.432	2	114.4760	0.432	2	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C-4:O-1:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SCOO)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HS)(H)	S(C[3]C[3]2H)(CH3)(O)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SCOO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HS)(H){2|C<3>,2|H<1>}	S(C[3]C[3]2H)(CH3)(O)2	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]HH)(C[3]C[3]HO)(SC[6a]OO)(H)	C[3](C[3]C[3]HO)(C[3]C[3]HS)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[3]HH)(C[3]C[3]HO)(SC[6a]OO)(H)	C[3](C[3]C[3]HO)(C[3]C[3]HS)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	116.7370	0.000	1	116.7370	0.000	1	118.8257	3.289	3	118.8257	3.289	3	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(SC[6a]OO)(H){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(H)2{2|C<3>}	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	119.8700	0.185	2	119.8700	0.034	2	118.8257	3.289	3	118.8257	3.289	3	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N[6]-3:O-1:O-1:	C[3](C[3]C[3]HH)2(SN[6]OO)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HS)(H)2	S(C[3]C[3]2H)(N[6]C[6]2)(O)2	C[3](C[3]C[3]HH)2(SN[6]OO)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HS)(H)2	S(C[3]C[3]2H)(N[6]C[6]2)(O)2	118.6900	1.969	2	118.6900	3.875	2	118.6900	3.875	2	118.6900	3.875	2	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	4:4:2:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[3]-4:C[3]-4:O-2:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]HH)(C[3]C[3]HO)(SC[6a]OO)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HS)(OC)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[3]HH)(C[3]C[3]HO)(SC[6a]OO)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HS)(OC)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	121.4310	0.000	1	121.4310	0.000	1	121.4310	0.000	1	121.4310	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	4:4:3:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)2(SC[6a]OO)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CC[6a]O)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[3]CH)2(SC[6a]OO)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CC[6a]O)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	122.6980	0.000	1	122.6980	0.000	1	123.5515	1.457	2	123.5515	1.457	2	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	4:4:3:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)2(SC[6a]OO)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(COO)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[3]CH)2(SC[6a]OO)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(COO)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	124.4050	0.000	1	124.4050	0.000	1	123.5515	1.457	2	123.5515	1.457	2	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[3,6]-4:C[3]-4:S-4:H-1:	C[3,6]-4:C[3]-4:C-3:H-1:	C[3]-4:C[6a]-3:O-1:O-1:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(SC[6a]OO)(H)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HS)(COO)(H)	S(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(O)2	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)(SC[6a]OO)(H){2|C<4>,4|H<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HS)(COO)(H){2|C<4>,4|H<1>}	S(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(O)2	120.7710	0.000	1	120.7710	0.000	1	120.7710	0.000	1	120.7710	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	4:4:3:2:	4:4:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[3]-4:C[3]-4:C-3:C-2:	C[3]-4:C-4:O-1:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SCOO)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(COO)(CN)	S(C[3]C[3]2H)(CH3)(O)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SCOO)(H){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(COO)(CN){2|C<3>}	S(C[3]C[3]2H)(CH3)(O)2	124.1270	0.000	1	124.1270	0.000	1	124.1270	0.000	1	124.1270	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)2(SC[6a]OO)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CCHH)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[3]CH)2(SC[6a]OO)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CCHH)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	121.1080	0.000	1	121.1080	0.000	1	121.5528	7.693	4	121.5528	7.693	4	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)2(SC[6a]OO)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CCHO)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[3]CH)2(SC[6a]OO)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CCHO)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	125.6010	0.000	1	125.6010	0.000	1	121.5528	7.693	4	121.5528	7.693	4	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)2(SC[6a]OO)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CF3)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[3]CH)2(SC[6a]OO)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CF3)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	119.7770	0.000	1	119.7770	0.000	1	121.5528	7.693	4	121.5528	7.693	4	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)2(SC[6a]OO)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CH3)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	C[3](C[3]C[3]CH)2(SC[6a]OO)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CH3)(H)	S(C[6a]C[6a]2)(C[3]C[3]2H)(O)2	119.7250	0.000	1	119.7250	0.000	1	121.5528	7.693	4	121.5528	7.693	4	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:2:	3:4:4:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)(CN)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H)	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H){2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	114.4940	0.000	1	114.4940	0.000	1	114.4940	0.000	1	114.4940	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:2:	4:4:1:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:C-2:	C[3]-4:C[3]-4:F-1:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]FH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(F)(H)	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C[3](C[3]C[3]FH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(F)(H)	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	117.4490	0.000	1	117.4490	0.000	1	117.4490	0.000	1	118.3328	0.369	4	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:2:	4:4:1:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CH)(C[3]C[3]CS)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CH)(C[3]C[3]CS)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	118.7330	0.000	2	118.7330	0.000	2	118.6273	0.033	3	118.3328	0.369	4	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:2:	4:4:1:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]FH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CS)(C[3]C[3]FH)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C[3](C[3]C[3]FH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CS)(C[3]C[3]FH)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	118.4160	0.000	1	118.4160	0.000	1	118.6273	0.033	3	118.3328	0.369	4	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:2:	4:4:3:3:	3:4:1:1:	C[3]-4:C[3]-4:S-4:C-2:	C[3]-4:C[3]-4:C-3:C-3:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)(CN)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)(COO)2	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)(CN){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)(COO)2{2|C<3>}	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	121.5860	0.000	1	121.5860	0.000	1	121.5860	0.000	1	121.5860	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:2:	4:4:4:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:C-2:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(CF3)(H)	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(CF3)(H)	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	114.0800	0.000	2	114.0800	0.000	2	114.0800	0.000	2	114.0800	0.000	2	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:3:	4:4:1:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]HH)2(SC[6a]OO)(CCH)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C[3](C[3]C[3]HH)2(SC[6a]OO)(CCH)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	114.8752	1.035	4	114.8752	1.072	4	114.8752	1.072	4	114.8752	1.072	4	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CH3)	C[3](C[3]C[3]CH)(C[3]C[3]CS)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CH3)	C[3](C[3]C[3]CH)(C[3]C[3]CS)(H)2	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	115.7100	0.000	1	115.7100	0.000	1	115.7100	0.000	1	115.7100	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3]	C[3]	S	4:4:4:4:	4:4:4:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:C-4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CH3)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(CCCH)(H)	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CH3)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(CCCH)(H)	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	113.5410	0.000	1	113.5410	0.000	1	113.5410	0.000	1	113.5410	0.000	1	118.0170	13.999	41	122.1001	36.854	115
486	486	952	0:SP3_SP3_SP3	C[3x3]	C[3x3]	S	4:4:4:4:	4:4:4:4:	4:3:1:1:	C[3x3]-4:C[3x3]-4:C[3x3]-4:S-4:	C[3x3]-4:C[3x3]-4:C[3x3]-4:Si-4:	C[3x3]-4:C[6a]-3:O-1:O-1:	C[3x3](C[3x3]C[3x3]2Si)3(SC[6a]OO)	C[3x3](C[3x3]C[3x3]2Si)2(C[3x3]C[3x3]2S)(SiC3)	S(C[3x3]C[3x3]3)(C[6a]C[6a]2)(O)2	C[3x3](C[3x3]C[3x3]2Si)3(SC[6a]OO)	C[3x3](C[3x3]C[3x3]2Si)2(C[3x3]C[3x3]2S)(SiC3)	S(C[3x3]C[3x3]3)(C[6a]C[6a]2)(O)2	143.5543	4.842	3	143.5543	23.441	3	143.5543	23.441	3	143.5543	23.441	3	143.5543	23.441	3	122.1001	36.854	115
486	486	953	0:SP3_SP-NON_SP3	C[3]	C[3]	I	4:4:2:3:	4:4:1:1:	3:4:	C[3]-4:C[3]-4:I-2:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:	C[3](C[3]C[3]HH)2(IC[6a])(COO)	C[3](C[3]C[3]CI)(C[3]C[3]HH)(H)2	I(C[6a]C[6a]2)(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(IC[6a])(COO)	C[3](C[3]C[3]CI)(C[3]C[3]HH)(H)2	I(C[6a]C[6a]2)(C[3]C[3]2C)	118.0785	0.787	2	118.0785	0.619	2	118.0785	0.619	2	118.0785	0.619	2	118.0785	0.619	2	118.0785	0.619	2
486	486	955	5:SP3_SP3_SP3	C[3,5,5]	C[3,5]	P[5,5]	4:4:4:3:	4:4:3:1:	4:3:3:1:	C[3,5]-4:P[5,5]-4:C[3,5]-4:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5]-3:H-1:	C[3,5,5]-4:C[5,6a]-3:C[5]-3:Se-1:	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C[6a])(C[3,5,5]C[3,5]P[5,5]C[6a])(C[5]C[5]H)(H)	P[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Se)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[3,5](C[3,5]C[3,5,5]C[5,6a]C[6a])(C[3,5,5]C[3,5]P[5,5]C[6a])(C[5]C[5]H)(H){1|Se<1>,7|C<3>}	P[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Se){3|H<1>,7|C<3>}	103.4910	0.000	1	103.4910	0.000	1	103.4910	0.000	1	103.4910	0.000	1	104.4830	1.968	2	104.4830	1.968	2
486	486	955	5:SP3_SP3_SP3	C[3,5,5]	C[3,5]	P[5,5]	4:4:4:3:	4:4:3:3:	4:3:3:1:	C[3,5]-4:P[5,5]-4:C[3,5]-4:C[6a]-3:	C[3,5,5]-4:C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5,5]-4:C[5,6a]-3:C[5]-3:Se-1:	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2)	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	P[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Se)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C[6a])(P[5,5]C[5,6a]C[5]Se)(C[3,5]C[3,5]C[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[3,5](C[3,5,5]C[3,5]P[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|Se<1>,4|H<1>,7|C<3>}	P[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Se){3|H<1>,7|C<3>}	105.4750	0.000	1	105.4750	0.000	1	105.4750	0.000	1	105.4750	0.000	1	104.4830	1.968	2	104.4830	1.968	2
486	486	956	0:SP3_SP2_SP3	C[3,5]	C[3,5]	N	4:4:3:3:	4:4:4:1:	4:1:1:	C[3]-4:C[3,5]-4:C[5]-3:N-3:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:O-1:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(NOO)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]N)(C[5]O[5]HH)(H)	N(C[3,5]C[3,5]C[3]C[5])(O)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(NOO){2|C<3>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]N)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	N(C[3,5]C[3,5]C[3]C[5])(O)2	124.6620	0.635	2	124.6620	0.403	2	124.6620	0.403	2	124.6620	0.403	2	122.7833	4.841	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3,5]	C[3,5]	N	4:4:4:3:	4:4:4:1:	4:1:1:	C[3,5]-4:C[3]-4:C[5]-4:N-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(NOO)	C[3,5](C[3,5]C[3]C[5]N)(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	N(C[3,5]C[3,5]C[3]C[5])(O)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(NOO){2|C<3>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]N)(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[3,5]C[3,5]C[3]C[5])(O)2	120.9360	0.000	1	120.9360	0.000	1	120.9360	0.000	1	120.9045	0.002	2	122.7833	4.841	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3,5]	C[3,5]	N	4:4:4:3:	4:4:4:1:	4:1:1:	C[3,5]-4:C[5]-4:C[3]-4:N-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(NOO)	C[3,5](C[3,5]C[3]C[5]N)(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	N(C[3,5]C[3,5]C[3]C[5])(O)2	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(NOO){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[3]C[5]N)(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	N(C[3,5]C[3,5]C[3]C[5])(O)2	120.8730	0.000	1	120.8730	0.000	1	120.8730	0.000	1	120.9045	0.002	2	122.7833	4.841	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3,5]	C[3]	N	4:4:3:3:	4:4:3:1:	4:1:1:	C[3]-4:C[3,5]-4:C[5]-3:N-3:	C[3,5]-4:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:O-1:O-1:	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(NOO)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(C[6a]C[6a]2)(H)	N(C[3,5]C[3,5]C[3]C[5])(O)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]O)(NOO){2|C<3>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N(C[3,5]C[3,5]C[3]C[5])(O)2	116.3765	1.245	2	116.3765	1.551	2	116.3765	1.551	2	116.3765	1.551	2	114.6525	5.312	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3,5]	C[3]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[3,5]-4:C[3]-4:C[5]-4:N-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(NOO)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(H)2	N(C[3,5]C[3,5]C[3]C[5])(O)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(NOO){2|C<3>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(H)2{2|C<4>,3|H<1>}	N(C[3,5]C[3,5]C[3]C[5])(O)2	111.8110	0.000	1	111.8110	0.000	1	111.8110	0.000	1	112.9285	2.498	2	114.6525	5.312	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3,5]	C[3]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[3,5]-4:C[5]-4:C[3]-4:N-3:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:O-1:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(NOO)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(H)2	N(C[3,5]C[3,5]C[3]C[5])(O)2	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(NOO){2|H<1>,4|C<3>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]N)(H)2{1|C<3>,1|C<4>,3|H<1>}	N(C[3,5]C[3,5]C[3]C[5])(O)2	114.0460	0.000	1	114.0460	0.000	1	114.0460	0.000	1	112.9285	2.498	2	114.6525	5.312	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3,6]	C[3,6]	N	4:4:3:3:	3:4:4:1:	4:1:1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[6,6a]-3:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:O-1:O-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H)	N(C[3,6]C[3,6]C[3]C[6])(O)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO){1|H<1>,2|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]N)(C[3]C[3,6]CH)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[3,6]C[3,6]C[3]C[6])(O)2	117.0295	0.622	2	117.0295	0.386	2	117.0295	0.386	2	117.0295	0.386	2	116.0895	1.850	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3,6]	C[3,6]	N	4:4:3:3:	4:4:4:1:	4:1:1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:O-1:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO)	C[3,6](C[3,6]C[3]C[6]N)(C[3]C[3,6]HH)(C[6]C[6]HH)(H)	N(C[3,6]C[3,6]C[3]C[6])(O)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO){1|C<4>,3|H<1>}	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>}	N(C[3,6]C[3,6]C[3]C[6])(O)2	115.1495	1.276	2	115.1495	1.629	2	115.1495	1.629	2	115.1495	1.629	2	116.0895	1.850	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3,6]	C[3]	N	4:4:3:3:	4:4:1:1:	4:1:1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:O-1:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]N)(H)2	N(C[3,6]C[3,6]C[3]C[6])(O)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO){1|C<4>,3|H<1>}	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]N)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N(C[3,6]C[3,6]C[3]C[6])(O)2	118.3270	0.102	2	118.3270	0.010	2	118.3270	0.010	2	118.3270	0.010	2	117.3852	1.210	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3,6]	C[3]	N	4:4:3:3:	4:4:3:1:	4:1:1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:O-1:O-1:	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]N)(COO)(H)	N(C[3,6]C[3,6]C[3]C[6])(O)2	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO){1|H<1>,2|C<3>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]N)(COO)(H){1|H<1>,3|C<3>}	N(C[3,6]C[3,6]C[3]C[6])(O)2	116.4435	0.269	2	116.4435	0.073	2	116.4435	0.073	2	116.4435	0.073	2	117.3852	1.210	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3,4]	N	4:2:3:1:	4:4:3:2:	4:1:1:	C[3,4]-4:O[3]-2:N-3:H-1:	C[4]-4:C[3]-4:C[4]-3:O[3]-2:	C[3]-4:O-1:O-1:	C[3](C[3,4]C[4]2O[3])(O[3]C[3,4])(NOO)(H)	C[3,4](C[4]C[5]N[4]H)(C[3]O[3]HN)(C[4]N[4]O)(O[3]C[3])	N(C[3]C[3,4]O[3]H)(O)2	C[3](C[3,4]C[4]2O[3])(O[3]C[3,4])(NOO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3,4](C[4]C[5]N[4]H)(C[3]O[3]HN)(C[4]N[4]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[3]C[3,4]O[3]H)(O)2	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3,5]	N	4:4:3:1:	4:3:3:4:	4:1:1:	C[3]-4:C[3,5]-4:N-3:H-1:	C[3]-4:C[5]-3:C[5]-3:C[3]-4:	C[3]-4:O-1:O-1:	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(NOO)(H)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]HN)	N(C[3]C[3,5]C[3]H)(O)2	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(NOO)(H){2|O<1>,4|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]HN){4|C<3>}	N(C[3]C[3,5]C[3]H)(O)2	116.7310	0.000	1	116.7310	0.000	1	116.7310	0.000	1	116.7310	0.000	1	116.6575	5.368	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3,5]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[3,5]-4:C[3,5]-4:N-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3]-4:O-1:O-1:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(NOO)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HN)(C[5]S[5]HH)(H)	N(C[3]C[3,5]2H)(O)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(NOO)(H){1|C<3>,1|S<2>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HN)(C[5]S[5]HH)(H){1|C<3>,1|H<1>}	N(C[3]C[3,5]2H)(O)2	118.6870	0.000	1	118.6870	0.000	1	118.6870	0.000	1	118.6870	0.000	1	116.6575	5.368	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3,5]	N	4:4:3:1:	4:4:4:4:	4:1:1:	C[3,5]-4:C[3,5]-4:N-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[3]-4:O-1:O-1:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(NOO)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[5a]S[5]H)(C[3]C[3,5]HN)(CHHO)	N(C[3]C[3,5]2H)(O)2	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(NOO)(H){1|C<3>,1|S<2>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[5a]S[5]H)(C[3]C[3,5]HN)(CHHO){1|C<3>,1|O<2>,2|H<1>}	N(C[3]C[3,5]2H)(O)2	117.8160	0.000	1	117.8160	0.000	1	117.8160	0.000	1	117.8160	0.000	1	116.6575	5.368	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3,5]	N	4:4:4:3:	4:3:3:4:	4:1:1:	C[3]-4:C[3,5]-4:C-4:N-3:	C[3]-4:C[5]-3:C[5]-3:C[3]-4:	C[3]-4:O-1:O-1:	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CH3)(NOO)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CN)	N(C[3]C[3,5]C[3]C)(O)2	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CH3)(NOO){2|O<1>,4|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]O)2(C[3]C[3]CN){4|C<3>}	N(C[3]C[3,5]C[3]C)(O)2	113.3960	0.000	1	113.3960	0.000	1	113.3960	0.000	1	113.3960	0.000	1	116.6575	5.368	4	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3,6]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[3,6]-4:C[3,6]-4:N-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:O-1:O-1:	C[3](C[3,6]C[3,6]C[6]H)2(NOO)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]O)(H)	N(C[3]C[3,6]2H)(O)2	C[3](C[3,6]C[3,6]C[6]H)2(NOO)(H){1|O<1>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	N(C[3]C[3,6]2H)(O)2	115.7550	0.000	1	115.7550	0.000	1	115.7550	0.000	1	115.7550	0.000	1	116.1485	0.310	2	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3,6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[3,6]-4:C[3,6]-4:N-3:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:O-1:O-1:	C[3](C[3,6]C[3,6]C[6]H)2(NOO)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]HH)(H)	N(C[3]C[3,6]2H)(O)2	C[3](C[3,6]C[3,6]C[6]H)2(NOO)(H){1|O<1>,2|C<4>,2|H<1>}	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>}	N(C[3]C[3,6]2H)(O)2	116.5420	0.000	1	116.5420	0.000	1	116.5420	0.000	1	116.5420	0.000	1	116.1485	0.310	2	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:2:2:3:	4:4:2:1:	4:1:1:	C[3]-4:O[3]-2:S-2:N-3:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a])(NOO)	C[3](C[3]O[3]NS)(CC[6a]HO)(O[3]C[3])(H)	N(C[3]C[3]O[3]S)(O)2	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a])(NOO)	C[3](C[3]O[3]NS)(CC[6a]HO)(O[3]C[3])(H)	N(C[3]C[3]O[3]S)(O)2	114.0620	0.000	1	114.0620	0.000	1	114.0620	0.000	1	114.0620	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:2:3:3:	3:4:2:1:	4:3:4:	C[3]-4:O[3]-2:C-3:N-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C-3:C-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(NCC)	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	N(C[3]C[3]O[3]C)(CC[6a]O)(CH3)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(NCC){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	N(C[3]C[3]O[3]C)(CC[6a]O)(CH3)	123.7680	0.000	1	123.7680	0.000	1	123.7680	0.000	1	123.7680	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:2:4:3:	3:4:2:1:	4:1:1:	C[3]-4:O[3]-2:C-4:N-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO)	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	N(C[3]C[3]O[3]C)(O)2	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	N(C[3]C[3]O[3]C)(O)2	114.1670	0.000	1	114.1670	0.000	1	114.1670	0.000	1	114.1670	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:3:2:3:	4:3:2:1:	4:1:1:	C[3]-4:C[6a]-3:O[3]-2:N-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO)	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H)	N(C[3]C[6a]C[3]O[3])(O)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	N(C[3]C[6a]C[3]O[3])(O)2	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[3]-4:C[3]-4:N-3:H-1:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(NOO)(H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HN)(H)	N(C[3]C[3]2H)(O)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(NOO)(H){2|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HN)(H){1|H<1>,3|C<3>}	N(C[3]C[3]2H)(O)2	118.2960	0.000	2	118.2960	0.000	2	118.6047	0.286	3	118.6047	0.286	3	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	3:4:4:1:	4:1:1:	C[3]-4:C[3]-4:N-3:H-1:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(NOO)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HN)(H)	N(C[3]C[3]2H)(O)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(NOO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HN)(H){2|C<3>,2|H<1>}	N(C[3]C[3]2H)(O)2	119.2220	0.000	1	119.2220	0.000	1	118.6047	0.286	3	118.6047	0.286	3	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	3:4:4:3:	4:4:3:	C[3]-4:C[3]-4:N-3:H-1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C-4:C-3:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	N(C[3]C[3]2H)(CCHH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	N(C[3]C[3]2H)(CCHH)(COO)	119.0750	0.235	2	119.0750	0.055	2	119.0750	0.055	2	119.0750	0.055	2	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	3:4:4:4:	4:3:1:	C[3]-4:C[3]-4:N-3:H-1:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C-3:O-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCO)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CH3)	N(C[3]C[3]2H)(CC[6a]2)(O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CH3){2|C<3>,2|H<1>}	N(C[3]C[3]2H)(CC[6a]2)(O)	121.0460	0.000	1	121.0460	0.000	1	121.0460	0.000	1	121.0460	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:3:4:1:	4:4:3:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C-4:C-3:	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(NCC)(H)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HN)(H)	N(C[3]C[3]2H)(CCHH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(NCC)(H){4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HN)(H){2|H<1>,4|C<3>}	N(C[3]C[3]2H)(CCHH)(COO)	119.1020	0.034	2	119.1020	0.001	2	119.1020	0.001	2	119.1020	0.001	2	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:3:4:3:	4:4:3:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[3]-4:C-4:C-3:	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(NCC)(H)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HN)(CNO)	N(C[3]C[3]2H)(CCHH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(NCC)(H){4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HN)(CNO){2|H<1>,4|C<3>}	N(C[3]C[3]2H)(CCHH)(COO)	118.5405	0.453	2	118.5405	0.205	2	118.5405	0.205	2	118.5405	0.205	2	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	3:3:4:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6]-3:C[3]-4:	C[3](C[3]C[3]HH)2(NC[6a]C[6])(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[3]C[3]2H)	C[3](C[3]C[3]HH)2(NC[6a]C[6])(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[3]C[3]2H)	116.8285	0.161	2	116.8285	0.026	2	116.8285	0.026	2	116.1792	0.571	4	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	3:3:4:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]HH)2(NC[6a]2)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[3](C[3]C[3]HH)2(NC[6a]2)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	115.5300	0.040	2	115.5300	0.002	2	115.5300	0.002	2	116.1792	0.571	4	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6]-3:C[3]-4:H-1:	C[3](C[3]C[3]HH)2(NC[6]H)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6]C[6]N[6])(C[3]C[3]2H)(H)	C[3](C[3]C[3]HH)2(NC[6]H)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6]C[6]N[6])(C[3]C[3]2H)(H)	119.4385	1.590	2	119.4385	2.529	2	119.4385	2.529	2	118.7402	1.455	14	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:H-1:	C[3](C[3]C[3]HH)2(NC[6a]H)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	C[3](C[3]C[3]HH)2(NC[6a]H)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	118.4948	1.337	8	118.4948	1.789	8	118.6238	1.386	12	118.7402	1.455	14	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:H-1:	C[3](C[3]C[3]HH)2(NC[6a]H)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6a]C[6a]N[6a])(C[3]C[3]2H)(H)	C[3](C[3]C[3]HH)2(NC[6a]H)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6a]C[6a]N[6a])(C[3]C[3]2H)(H)	119.1160	1.191	2	119.1160	1.418	2	118.6238	1.386	12	118.7402	1.455	14	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	3:4:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:H-1:	C[3](C[3]C[3]HH)2(NC[6a]H)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6a]C[6a]S[6a])(C[3]C[3]2H)(H)	C[3](C[3]C[3]HH)2(NC[6a]H)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6a]C[6a]S[6a])(C[3]C[3]2H)(H)	118.6480	0.829	2	118.6480	0.687	2	118.6238	1.386	12	118.7402	1.455	14	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NCH)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]O)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NCH)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]O)(H)	118.3050	0.000	1	118.3050	0.000	1	119.4981	4.987	9	119.3538	4.641	10	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[3]HH)2(NCH)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[5a]H)(H)	C[3](C[3]C[3]HH)2(NCH)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[5a]H)(H)	120.5460	0.750	2	120.5460	0.562	2	119.4981	4.987	9	119.3538	4.641	10	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[3]HH)2(NCH)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]C[5])(H)	C[3](C[3]C[3]HH)2(NCH)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]C[5])(H)	117.6395	0.924	2	117.6395	0.854	2	119.4981	4.987	9	119.3538	4.641	10	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[3]HH)2(NCH)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]H)(H)	C[3](C[3]C[3]HH)2(NCH)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]H)(H)	122.5700	1.812	2	122.5700	3.282	2	119.4981	4.987	9	119.3538	4.641	10	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[3]HH)2(NCH)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]O)(H)	C[3](C[3]C[3]HH)2(NCH)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]O)(H)	117.8335	0.506	2	117.8335	0.256	2	119.4981	4.987	9	119.3538	4.641	10	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:O-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCO)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]2)(O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCO)(H){2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2{2|C<3>}	N(C[3]C[3]2H)(CC[6a]2)(O)	118.0550	0.000	1	118.0550	0.000	1	118.0550	0.000	1	119.3538	4.641	10	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:3:3:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:P-3:P-3:	C[3](C[3]C[3]HH)2(NPP)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(PC[6a]2)2	C[3](C[3]C[3]HH)2(NPP)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(PC[6a]2)2	119.5940	0.061	2	119.5940	0.004	2	119.5940	0.004	2	119.5940	0.004	2	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:3:4:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:C-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NCC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]O)(CCHH)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NCC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]O)(CCHH)	116.4700	0.000	2	116.4700	0.000	2	116.4700	0.000	2	116.4700	0.000	2	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-4:C-3:	C[3](C[3]C[3]HH)2(NCC)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CCHH)(CCO)	C[3](C[3]C[3]HH)2(NCC)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CCHH)(CCO)	117.8312	1.384	6	117.8312	1.916	6	119.1333	12.247	8	119.1333	12.247	8	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-4:C-3:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CCHH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H){2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2{2|C<3>}	N(C[3]C[3]2H)(CCHH)(COO)	123.0395	5.955	2	123.0395	35.457	2	119.1333	12.247	8	119.1333	12.247	8	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:S-4:S-4:	C[3](C[3]C[3]HH)2(NSS)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(SC[6a]OO)2	C[3](C[3]C[3]HH)2(NSS)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(SC[6a]OO)2	120.3940	0.453	2	120.3940	0.205	2	120.3940	0.205	2	120.3940	0.205	2	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:3:1:	4:1:1:	C[3]-4:C[3,5]-4:N-3:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(NOO)(H)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HN)(C[6a]C[6a]2)(H)	N(C[3]C[3,5]C[3]H)(O)2	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(NOO)(H){2|O<1>,4|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HN)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	N(C[3]C[3,5]C[3]H)(O)2	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:3:1:	4:3:4:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C-3:C-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NCC)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CN[6]O)(H)	N(C[3]C[3]2H)(CC[6a]O)(CCHH)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NCC)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CN[6]O)(H)	N(C[3]C[3]2H)(CC[6a]O)(CCHH)	120.0090	0.000	2	120.0090	0.000	2	120.0090	0.000	2	120.0090	0.000	2	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:3:3:	4:1:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:C-3:C-3:	C[3]-4:O-1:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(NOO)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HN)(COO)2	N(C[3]C[3]2H)(O)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(NOO)(H){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HN)(COO)2{2|C<3>}	N(C[3]C[3]2H)(O)2	119.2947	2.886	3	119.2947	8.330	3	119.2947	8.330	3	119.2947	8.330	3	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NCH)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CF3)(H)	N(C[3]C[3]2H)(CC[6a]O)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NCH)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CF3)(H)	N(C[3]C[3]2H)(CC[6a]O)(H)	119.8850	0.000	1	119.8850	0.000	1	119.8850	0.000	1	119.8850	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:2:	4:4:1:1:	4:4:1:	C[3]-4:C[3]-4:N-3:O-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:S-4:H-1:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(NHS)(OC)	C[3](C[3]C[3]CC)(C[3]C[3]NO)(H)2	N(C[3]C[3]2O)(SO3)(H)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(NHS)(OC)	C[3](C[3]C[3]CC)(C[3]C[3]NO)(H)2	N(C[3]C[3]2O)(SO3)(H)	121.0960	0.000	1	121.0960	0.000	1	121.0960	0.000	1	121.0960	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:2:	4:4:4:4:	4:4:1:	C[3]-4:C[3]-4:N-3:O-2:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:S-4:H-1:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(NHS)(OC)	C[3](C[3]C[3]HH)(C[3]C[3]NO)(CCHH)2	N(C[3]C[3]2O)(SO3)(H)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(NHS)(OC)	C[3](C[3]C[3]HH)(C[3]C[3]NO)(CCHH)2	N(C[3]C[3]2O)(SO3)(H)	121.4610	0.000	1	121.4610	0.000	1	121.4610	0.000	1	121.4610	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	3:4:4:1:	4:1:1:	C[3]-4:C[3]-4:C-3:N-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(NOO)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H)	N(C[3]C[3]2C)(O)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(NOO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	N(C[3]C[3]2C)(O)2	114.5110	0.000	2	114.5110	0.000	2	114.5110	0.000	2	114.5110	0.000	2	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	3:4:4:1:	4:3:1:	C[3]-4:C[3]-4:C-3:N-3:	C[5a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[5a]C[3]H)(C[3]C[6a]C[3]H)(COO)(NCH)	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)	N(C[3]C[3]2C)(CC[6a]O)(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[6a]C[3]H)(COO)(NCH){1|O<2>,3|C<3>}	C[3](C[5a]C[5a]O[5a])(C[3]C[6a]C[3]H)(C[3]C[3]CN)(H){1|H<1>,4|C<3>}	N(C[3]C[3]2C)(CC[6a]O)(H)	115.0110	0.000	1	115.0110	0.000	1	115.0110	0.000	1	117.3833	2.947	4	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	3:4:4:1:	4:3:1:	C[3]-4:C[3]-4:C-3:N-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(NCH)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H)	N(C[3]C[3]2C)(CC[5]O)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(NCH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	N(C[3]C[3]2C)(CC[5]O)(H)	118.4320	0.969	2	118.4320	0.938	2	118.1740	0.669	3	117.3833	2.947	4	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	3:4:4:1:	4:3:1:	C[3]-4:C[3]-4:C-3:N-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(NCH)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H)	N(C[3]C[3]2C)(COO)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(NCH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	N(C[3]C[3]2C)(COO)(H)	117.6580	0.000	1	117.6580	0.000	1	118.1740	0.669	3	117.3833	2.947	4	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	3:4:4:4:	4:3:1:	C[3]-4:C[3]-4:C-3:N-3:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(COO)(NCH)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(CH3)	N(C[3]C[3]2C)(CCO)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(COO)(NCH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	N(C[3]C[3]2C)(CCO)(H)	116.8125	0.783	2	116.8125	0.613	2	116.8125	0.613	2	116.8125	0.613	2	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	4:3:4:1:	4:3:1:	C[3]-4:C[3]-4:C-3:N-3:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[5a]C[3]H)(C[3]C[6a]C[3]H)(COO)(NCH)	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	N(C[3]C[3]2C)(CC[6a]O)(H)	C[3](C[3]C[5a]C[3]H)(C[3]C[6a]C[3]H)(COO)(NCH){1|O<2>,3|C<3>}	C[3](C[3]C[5a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){1|O<2>,2|H<1>,3|C<3>}	N(C[3]C[3]2C)(CC[6a]O)(H)	114.7910	0.000	1	114.7910	0.000	1	117.6440	6.663	3	117.6440	6.663	3	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	4:3:4:1:	4:3:1:	C[3]-4:C[3]-4:C-3:N-3:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]C[3]H)2(CNO)(NCH)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H)	N(C[3]C[3]2C)(CC[6a]O)(H)	C[3](C[3]C[6a]C[3]H)2(CNO)(NCH){4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CN)(H){2|H<1>,4|C<3>}	N(C[3]C[3]2C)(CC[6a]O)(H)	119.0705	1.057	2	119.0705	1.118	2	117.6440	6.663	3	117.6440	6.663	3	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	4:4:1:1:	4:1:1:	C[3]-4:C[3]-4:C-3:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(COO)(NOO)	C[3](C[3]C[3]CH)(C[3]C[3]CN)(H)2	N(C[3]C[3]2C)(O)2	C[3](C[3]C[3]CH)(C[3]C[3]HH)(COO)(NOO)	C[3](C[3]C[3]CH)(C[3]C[3]CN)(H)2	N(C[3]C[3]2C)(O)2	117.1070	0.000	1	117.1070	0.000	1	116.6264	4.374	5	116.6264	4.374	5	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	4:4:1:1:	4:1:1:	C[3]-4:C[3]-4:C-3:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[3]HH)2(CCH)(NOO)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(H)2	N(C[3]C[3]2C)(O)2	C[3](C[3]C[3]HH)2(CCH)(NOO)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(H)2	N(C[3]C[3]2C)(O)2	114.4425	0.414	2	114.4425	0.171	2	116.6264	4.374	5	116.6264	4.374	5	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	4:4:1:1:	4:1:1:	C[3]-4:C[3]-4:C-3:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(NOO)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)2	N(C[3]C[3]2C)(O)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(NOO){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)2{2|C<3>}	N(C[3]C[3]2C)(O)2	118.5700	0.000	2	118.5700	0.000	2	116.6264	4.374	5	116.6264	4.374	5	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C-3:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[3]HH)2(CNO)(NCH)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(H)2	N(C[3]C[3]2C)(CC[5]O)(H)	C[3](C[3]C[3]HH)2(CNO)(NCH)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(H)2	N(C[3]C[3]2C)(CC[5]O)(H)	117.1860	0.908	30	117.1860	0.825	30	117.2516	1.218	35	117.2516	1.218	35	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C-3:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(COO)(NCH)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CN)(H)2	N(C[3]C[3]2C)(CCO)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(COO)(NCH){2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CN)(H)2{2|C<3>}	N(C[3]C[3]2C)(CCO)(H)	118.9425	2.047	2	118.9425	4.191	2	117.2516	1.218	35	117.2516	1.218	35	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C-3:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(NCH)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)2	N(C[3]C[3]2C)(CC[5]O)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(NCH){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)2{2|C<3>}	N(C[3]C[3]2C)(CC[5]O)(H)	116.9845	2.560	2	116.9845	6.556	2	117.2516	1.218	35	117.2516	1.218	35	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C-3:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(NCH)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)2	N(C[3]C[3]2C)(COO)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(NCH){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)(H)2{2|C<3>}	N(C[3]C[3]2C)(COO)(H)	116.3730	0.000	1	116.3730	0.000	1	117.2516	1.218	35	117.2516	1.218	35	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	4:4:1:1:	4:3:3:	C[3]-4:C[3]-4:C-3:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:C-3:	C[3](C[3]C[3]CF)(C[3]C[3]HH)(COO)(NCC)	C[3](C[3]C[3]CF)(C[3]C[3]CN)(H)2	N(C[3]C[3]2C)(COO)2	C[3](C[3]C[3]CF)(C[3]C[3]HH)(COO)(NCC)	C[3](C[3]C[3]CF)(C[3]C[3]CN)(H)2	N(C[3]C[3]2C)(COO)2	117.1050	0.000	1	117.1050	0.000	1	117.1050	0.000	1	117.1050	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	4:4:4:1:	4:1:1:	C[3]-4:C[3]-4:C-3:N-3:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(COO)(NOO)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(CCHH)(H)	N(C[3]C[3]2C)(O)2	C[3](C[3]C[3]CH)(C[3]C[3]HH)(COO)(NOO)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(CCHH)(H)	N(C[3]C[3]2C)(O)2	115.2970	0.000	1	115.2970	0.000	1	115.2970	0.000	1	115.2970	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:3:3:	4:4:4:1:	4:3:3:	C[3]-4:C[3]-4:C-3:N-3:	C[3]-4:C[3]-4:C-4:F-1:	C[3]-4:C-3:C-3:	C[3](C[3]C[3]CF)(C[3]C[3]HH)(COO)(NCC)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(CCCH)(F)	N(C[3]C[3]2C)(COO)2	C[3](C[3]C[3]CF)(C[3]C[3]HH)(COO)(NCC)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(CCCH)(F)	N(C[3]C[3]2C)(COO)2	116.3390	0.000	1	116.3390	0.000	1	116.3390	0.000	1	116.3390	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:4:3:	3:4:4:4:	4:3:1:	C[3]-4:C[3]-4:P-4:N-3:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PO3)(NCH)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]NP)(CH3)	N(C[3]C[3]2P)(CCO)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PO3)(NCH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]NP)(CH3){2|C<3>,2|H<1>}	N(C[3]C[3]2P)(CCO)(H)	117.1170	1.073	4	117.1170	1.152	4	117.1170	1.152	4	117.1170	1.152	4	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[3]-4:C[3]-4:C-4:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[3]HH)2(CCHN)(NOO)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(H)2	N(C[3]C[3]2C)(O)2	C[3](C[3]C[3]HH)2(CCHN)(NOO)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(H)2	N(C[3]C[3]2C)(O)2	114.5673	1.300	4	114.5673	1.690	4	114.5673	1.690	4	114.5673	1.690	4	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:P-4:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PO3)(NCH)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]NP)(H)2	N(C[3]C[3]2P)(CCO)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PO3)(NCH){2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]NP)(H)2{2|C<3>}	N(C[3]C[3]2P)(CCO)(H)	118.6227	0.481	4	118.6227	0.231	4	118.6227	0.231	4	118.6227	0.231	4	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:4:3:	4:4:1:1:	4:4:4:	C[3]-4:C[3]-4:C-4:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-4:C-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC3)(NCC)	C[3](C[3]C[3]CH)(C[3]C[3]CN)(H)2	N(C[3]C[3]2C)(CCCH)2	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC3)(NCC)	C[3](C[3]C[3]CH)(C[3]C[3]CN)(H)2	N(C[3]C[3]2C)(CCCH)2	116.6360	0.000	1	116.6360	0.000	1	116.6360	0.000	1	116.6360	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:4:3:	4:4:3:1:	4:1:1:	C[3]-4:C[3,5]-4:C-4:N-3:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CH3)(NOO)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CN)(C[6a]C[6a]2)(H)	N(C[3]C[3,5]C[3]C)(O)2	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CH3)(NOO){2|O<1>,4|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CN)(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,4|C<3>}	N(C[3]C[3,5]C[3]C)(O)2	114.1420	0.000	1	114.1420	0.000	1	114.1420	0.000	1	114.1420	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP2_SP3	C[3]	C[3]	N	4:4:4:3:	4:4:3:1:	4:4:4:	C[3]-4:C[3]-4:C-4:N-3:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C-4:C-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC3)(NCC)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(COO)(H)	N(C[3]C[3]2C)(CCCH)2	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC3)(NCC)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(COO)(H)	N(C[3]C[3]2C)(CCCH)2	118.7810	0.000	1	118.7810	0.000	1	118.7810	0.000	1	118.7810	0.000	1	117.8523	4.541	134	117.7927	5.277	157
486	486	956	0:SP3_SP3_SP3	C[3,6]	C[3,6]	N	4:4:2:3:	4:4:4:4:	4:4:4:	C[3,6]-4:C[3]-4:S[6]-2:N-3:	P[6]-4:C[3,6]-4:C[3]-4:C-4:	C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]P[6]C)(C[3]C[3,6]CH)(S[6]C[6,6a])(NCC)	C[3,6](P[6]C[6,6a]C[6a]2)(C[3,6]C[3]S[6]N)(C[3]C[3,6]CH)(CCHH)	N(C[3,6]C[3,6]C[3]S[6])(CCHH)2	C[3,6](C[3,6]C[3]P[6]C)(C[3]C[3,6]CH)(S[6]C[6,6a])(NCC){4|C<3>}	C[3,6](P[6]C[6,6a]C[6a]2)(C[3,6]C[3]S[6]N)(C[3]C[3,6]CH)(CCHH){6|C<3>}	N(C[3,6]C[3,6]C[3]S[6])(CCHH)2	116.5610	0.000	1	116.5610	0.000	1	116.5610	0.000	1	116.5610	0.000	1	116.5610	0.000	1	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3,6]	C[3]	N	4:4:2:3:	4:4:4:1:	4:4:4:	C[3,6]-4:C[3]-4:S[6]-2:N-3:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C-4:C-4:	C[3,6](C[3,6]C[3]P[6]C)(C[3]C[3,6]CH)(S[6]C[6,6a])(NCC)	C[3](C[3,6]C[3,6]P[6]C)(C[3,6]C[3,6]S[6]N)(CCHH)(H)	N(C[3,6]C[3,6]C[3]S[6])(CCHH)2	C[3,6](C[3,6]C[3]P[6]C)(C[3]C[3,6]CH)(S[6]C[6,6a])(NCC){4|C<3>}	C[3](C[3,6]C[3,6]P[6]C)(C[3,6]C[3,6]S[6]N)(CCHH)(H){4|C<3>}	N(C[3,6]C[3,6]C[3]S[6])(CCHH)2	121.4800	0.000	1	121.4800	0.000	1	121.4800	0.000	1	121.4800	0.000	1	121.4800	0.000	1	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	3:4:4:3:	4:4:4:1:	4:4:1:	C[6a]-3:C[3]-4:C[3]-4:N-3:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:S-4:H-1:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(NHS)	C[3](C[3]C[6a]C[3]N)(C[3]C[3]CH)(CCHH)(H)	N(C[3]C[6a]C[3]2)(SO3)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(NHS){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]N)(C[3]C[3]CH)(CCHH)(H){2|C<3>}	N(C[3]C[6a]C[3]2)(SO3)(H)	118.9690	0.000	1	118.9690	0.000	1	116.9750	7.952	2	116.9750	7.952	2	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	3:4:4:3:	4:4:4:1:	4:4:1:	C[6a]-3:C[3]-4:C[3]-4:N-3:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:S-4:H-1:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(NHS)	C[3](C[3]C[6a]C[3]N)(C[3]C[3]CH)(CH3)(H)	N(C[3]C[6a]C[3]2)(SO3)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(NHS){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]N)(C[3]C[3]CH)(CH3)(H){2|C<3>}	N(C[3]C[6a]C[3]2)(SO3)(H)	114.9810	0.000	1	114.9810	0.000	1	116.9750	7.952	2	116.9750	7.952	2	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:1:	3:4:4:3:	4:4:3:	C[3]-4:C[3]-4:N-3:H-1:	C[6a]-3:C[3]-4:C[3]-4:C-3:	C[3]-4:C-4:C-3:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO)	N(C[3]C[3]2H)(CCHH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CNO){2|C<3>,2|H<1>}	N(C[3]C[3]2H)(CCHH)(COO)	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	3:3:4:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]HH)2(NC[6a]2)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[3](C[3]C[3]HH)2(NC[6a]2)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	116.1371	0.512	22	116.1371	0.262	22	116.1371	0.262	22	116.1371	0.262	22	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:S-4:H-1:	C[3](C[3]C[3]HH)2(NHS)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(SC[5]OO)(H)	C[3](C[3]C[3]HH)2(NHS)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(SC[5]OO)(H)	116.9510	0.803	2	116.9510	0.645	2	116.9510	0.645	2	117.0990	0.872	4	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:4:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6]-4:C[3]-4:H-1:	C[3](C[3]C[3]HH)2(NC[6]H)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6]C[5a]C[6]2)(C[3]C[3]2H)(H)	C[3](C[3]C[3]HH)2(NC[6]H)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[6]C[5a]C[6]2)(C[3]C[3]2H)(H)	117.2470	1.372	2	117.2470	1.882	2	117.2470	1.882	2	117.0990	0.872	4	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-4:C-3:	C[3](C[3]C[3]HH)2(NCC)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CCHH)(CCO)	C[3](C[3]C[3]HH)2(NCC)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CCHH)(CCO)	118.9755	1.545	2	118.9755	2.387	2	119.2163	1.368	3	119.2163	1.368	3	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:4:3:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-4:C-3:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CCHH)(COO)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(NCC)(H){2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HN)(H)2{2|C<3>}	N(C[3]C[3]2H)(CCHH)(COO)	119.6980	0.000	1	119.6980	0.000	1	119.2163	1.368	3	119.2163	1.368	3	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-4:C-4:	C[3](C[3]C[3]HH)2(NCC)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CN[6]HH)2	C[3](C[3]C[3]HH)2(NCC)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CN[6]HH)2	117.4085	0.411	2	117.4085	0.169	2	117.4085	0.169	2	119.2656	4.497	9	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-4:S-4:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(NCS)(H)	C[3](C[3]C[3]CC)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]HH)(SC[6a]OO)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(NCS)(H)	C[3](C[3]C[3]CC)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]HH)(SC[6a]OO)	121.3740	0.000	1	121.3740	0.000	1	118.9326	3.468	5	119.2656	4.497	9	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-4:S-4:	C[3](C[3]C[3]HH)2(NCS)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]HH)(SC[6a]OO)	C[3](C[3]C[3]HH)2(NCS)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(CC[6a]HH)(SC[6a]OO)	118.3222	1.463	4	118.3222	2.140	4	118.9326	3.468	5	119.2656	4.497	9	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:1:1:	4:4:4:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:S-4:C-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NCS)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(SC[6a]OO)(CCHH)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NCS)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HN)(H)2	N(C[3]C[3]2H)(SC[6a]OO)(CCHH)	121.9550	0.130	2	121.9550	0.017	2	121.9550	0.017	2	119.2656	4.497	9	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:3:1:	4:4:4:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:S-4:C-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NCS)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CNO)(H)	N(C[3]C[3]2H)(SC[6a]OO)(CCHH)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NCS)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CNO)(H)	N(C[3]C[3]2H)(SC[6a]OO)(CCHH)	117.5025	0.921	2	117.5025	0.849	2	117.5025	0.849	2	117.5025	0.849	2	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:1:	4:4:4:4:	4:4:4:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:S-4:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(NCS)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CCHH)(CCHO)	N(C[3]C[3]2H)(CC[6a]HH)(SC[6a]OO)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(NCS)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CCHH)(CCHO)	N(C[3]C[3]2H)(CC[6a]HH)(SC[6a]OO)	118.9600	0.000	1	118.9600	0.000	1	118.9600	0.000	1	118.9600	0.000	1	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:2:	3:4:4:2:	4:3:1:	C[3]-4:C[3]-4:N-3:O-2:	C[6a]-3:C[3]-4:C[3]-4:O-2:	C[3]-4:S-3:H-1:	C[3](C[3]C[6a]C[3]O)(C[3]C[3]CH)(NHS)(OC)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]NO)(OSi)	N(C[3]C[3]2O)(SCO)(H)	C[3](C[3]C[6a]C[3]O)(C[3]C[3]CH)(NHS)(OC){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]NO)(OSi){2|C<3>,2|H<1>}	N(C[3]C[3]2O)(SCO)(H)	120.1440	0.000	1	120.1440	0.000	1	120.1440	0.000	1	120.1440	0.000	1	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:2:	4:4:4:1:	4:3:1:	C[3]-4:C[3]-4:N-3:O-2:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:S-3:H-1:	C[3](C[3]C[6a]C[3]O)(C[3]C[3]CH)(NHS)(OC)	C[3](C[3]C[6a]C[3]O)(C[3]C[3]NO)(CH3)(H)	N(C[3]C[3]2O)(SCO)(H)	C[3](C[3]C[6a]C[3]O)(C[3]C[3]CH)(NHS)(OC){2|C<3>}	C[3](C[3]C[6a]C[3]O)(C[3]C[3]NO)(CH3)(H){2|C<3>}	N(C[3]C[3]2O)(SCO)(H)	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:3:	4:4:1:1:	4:4:4:	C[3]-4:C[3]-4:N-3:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[5]-4:C[3]-4:C-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NC[5]C)2	C[3](C[3]C[3]CH)(C[3]C[3]NN)(H)2	N(C[5]C[5]2Fe)(C[3]C[3]2N)(CCHH)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NC[5]C)2	C[3](C[3]C[3]CH)(C[3]C[3]NN)(H)2	N(C[5]C[5]2Fe)(C[3]C[3]2N)(CCHH)	115.7205	0.199	2	115.7205	0.039	2	115.7205	0.039	2	115.7205	0.039	2	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:3:3:	4:4:3:1:	4:4:4:	C[3]-4:C[3]-4:N-3:N-3:	C[3]-4:C[3]-4:C-3:H-1:	C[5]-4:C[3]-4:C-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NC[5]C)2	C[3](C[3]C[3]HH)(C[3]C[3]NN)(COO)(H)	N(C[5]C[5]2Fe)(C[3]C[3]2N)(CCHH)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NC[5]C)2	C[3](C[3]C[3]HH)(C[3]C[3]NN)(COO)(H)	N(C[5]C[5]2Fe)(C[3]C[3]2N)(CCHH)	115.8470	4.332	2	115.8470	18.764	2	115.8470	18.764	2	115.8470	18.764	2	117.0479	3.698	52	117.1210	3.928	54
486	486	956	0:SP3_SP3_SP3	C[3]	C[3]	N	4:4:4:3:	4:4:1:1:	4:4:4:	C[5]-4:C[3]-4:C[3]-4:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:S-4:C-4:	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(NCS)	C[3](C[3]C[3]C[5]N)(C[3]C[3]HH)(H)2	N(C[3]C[3]2C[5])(SC[6a]OO)(CH3)	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(NCS){4|C<3>}	C[3](C[3]C[3]C[5]N)(C[3]C[3]HH)(H)2{1|H<1>,2|C<3>}	N(C[3]C[3]2C[5])(SC[6a]OO)(CH3)	114.7795	1.633	2	114.7795	2.666	2	114.7795	2.666	2	114.7795	2.666	2	117.0479	3.698	52	117.1210	3.928	54
486	486	960	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:3:2:	4:4:3:1:	4:3:	C[3]-4:C[3]-4:C[5]-3:N[5]-2:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3,5]-4:C[5]-3:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)(N[5]C[5])	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	N[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5])	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.7900	0.000	1	121.7900	0.000	1	121.7900	0.000	1	121.7900	0.000	1	119.5160	10.342	2	119.5160	10.342	2
486	486	960	0:SP3_SP2_SP3	C[3,5]	C[3]	N[5]	4:4:3:2:	4:4:4:1:	4:3:	C[3]-4:C[3]-4:C[5]-3:N[5]-2:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3,5]-4:C[5]-3:	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)(N[5]C[5])	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CF3)(H)	N[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5])	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>}	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CF3)(H){1|N<3>,1|O<1>,3|C<3>}	N[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	117.2420	0.000	1	117.2420	0.000	1	117.2420	0.000	1	117.2420	0.000	1	119.5160	10.342	2	119.5160	10.342	2
486	486	961	0:SP3_SP3_SP3	C[3,6]	C[3]	S[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:S[6]-4:C-4:	C[3,6]-4:C[3,6]-4:Cl-1:Cl-1:	C[3,6]-4:C[6]-4:O-1:O-1:	C[3,6](C[3,6]C[3]O[6]C)(C[3]C[3,6]Cl2)(S[6]C[6]OO)(CH3)	C[3](C[3,6]C[3,6]O[6]C)(C[3,6]C[3,6]S[6]C)(Cl)2	S[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)2	C[3,6](C[3,6]C[3]O[6]C)(C[3]C[3,6]Cl2)(S[6]C[6]OO)(CH3){1|C<4>,2|H<1>}	C[3](C[3,6]C[3,6]O[6]C)(C[3,6]C[3,6]S[6]C)(Cl)2{2|C<4>,2|O<1>}	S[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)2{2|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	120.4260	0.000	1	120.4260	0.000	1	120.4260	0.000	1	120.4260	0.000	1	120.4260	0.000	1	120.4260	0.000	1
486	486	961	6:SP3_SP3_SP3	C[3,6]	C[3,6]	S[6]	4:4:4:4:	4:4:2:4:	4:4:1:1:	C[3,6]-4:C[3]-4:S[6]-4:C-4:	C[3,6]-4:C[3]-4:O[6]-2:C-4:	C[3,6]-4:C[6]-4:O-1:O-1:	C[3,6](C[3,6]C[3]O[6]C)(C[3]C[3,6]Cl2)(S[6]C[6]OO)(CH3)	C[3,6](C[3,6]C[3]S[6]C)(C[3]C[3,6]Cl2)(O[6]C[6])(CH3)	S[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)2	C[3,6](C[3,6]C[3]O[6]C)(C[3]C[3,6]Cl2)(S[6]C[6]OO)(CH3){1|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]S[6]C)(C[3]C[3,6]Cl2)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|O<1>}	S[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)2{2|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	118.5060	0.000	1	118.5060	0.000	1	118.5060	0.000	1	118.5060	0.000	1	118.5060	0.000	1	118.5060	0.000	1
486	486	962	0:SP3_SP3_SP3	C[3,3]	C[3]	O[3]	4:4:4:2:	4:4:1:1:	4:4:	C[3,4]-4:C[3]-4:C[3]-4:O[3]-2:	C[3,3]-4:C[3]-4:H-1:H-1:	C[3,3]-4:C[3,4]-4:	C[3,3](C[3,4]C[4]2O[3])(C[3]C[3]HH)2(O[3]C[3,4])	C[3](C[3,3]C[3,4]C[3]O[3])(C[3]C[3,3]HH)(H)2	O[3](C[3,3]C[3,4]C[3]2)(C[3,4]C[3,3]C[4]2)	C[3,3](C[3,4]C[4]2O[3])(C[3]C[3]HH)2(O[3]C[3,4]){1|N<3>,4|H<1>}	C[3](C[3,3]C[3,4]C[3]O[3])(C[3]C[3,3]HH)(H)2{2|C<4>}	O[3](C[3,3]C[3,4]C[3]2)(C[3,4]C[3,3]C[4]2){1|N<3>,8|H<1>}	131.5475	0.412	2	131.5475	0.170	2	131.5475	0.170	2	131.5475	0.170	2	131.5475	0.170	2	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]C[3]O[3])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]2H)	C[3,5](C[3,5]C[5,6]C[3]O[3])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|H<1>,3|C<4>}	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(O[3]C[3]){2|C<4>,2|H<1>,2|O<2>}	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]2H){2|O<2>,3|C<4>}	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	112.4950	2.266	4	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(CC[5]HH)	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCCH)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]2C)	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(CC[5]HH){3|H<1>}	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCCH){1|C<4>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]2C){1|O<2>,2|C<4>,2|H<1>}	113.2940	0.000	1	113.2940	0.000	1	112.0705	2.994	2	112.0705	2.994	2	112.4950	2.266	4	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCCH)	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(CC[5]HH)	O[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]2C)	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCCH){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(CC[5]HH){3|H<1>}	O[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]2C){1|O<2>,2|C<4>,2|H<1>}	110.8470	0.000	1	110.8470	0.000	1	112.0705	2.994	2	112.0705	2.994	2	112.4950	2.266	4	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(O[3]C[3])	C[3,5](C[3,5]C[5,6]C[3]O[3])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C[3])(C[3]C[3,5]HH)	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(O[3]C[3]){2|C<4>,2|H<1>,2|O<2>}	C[3,5](C[3,5]C[5,6]C[3]O[3])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,5]C[3,5]C[5,6]C[3])(C[3]C[3,5]HH){1|H<1>,1|O<2>,4|C<4>}	114.1610	0.000	1	114.1610	0.000	1	114.1610	0.000	1	114.1610	0.000	1	112.4950	2.266	4	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[3]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CH)(O[3]C[3,5]){1|C<4>,5|H<1>}	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,4|C<4>}	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C){1|O<2>,3|C<4>,4|H<1>}	110.6100	0.000	1	110.6100	0.000	1	116.0267	22.046	3	116.0267	22.046	3	116.0267	22.046	3	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[3]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CO)(O[3]C[3,5]){2|C<4>,4|H<1>}	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CC)(O[3]C[3])(H){1|O<2>,4|C<4>}	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C){2|O<2>,3|C<4>,3|H<1>}	118.7350	0.284	2	118.7350	0.081	2	116.0267	22.046	3	116.0267	22.046	3	116.0267	22.046	3	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:3:2:	4:4:4:2:	4:4:	C[3,6,6]-4:C[3,6]-4:C[6]-3:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])	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])	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6]){1|O<2>,3|H<1>,5|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>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	116.6860	0.000	1	116.6860	0.000	1	116.6860	0.000	1	116.6860	0.000	1	114.5667	4.938	6	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:4:2:	4:4:3:2:	4:4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6]-3:O[3]-2:	C[3,6,6]-4:C[3,6]-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])	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]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]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6]){1|O<2>,3|H<1>,5|C<4>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	114.5667	4.938	6	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:4:2:	4:4:4:2:	4:4:	C[3,6,6]-4:C[3,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	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])	O[3](C[3,6,6]C[3,6,6]C[3,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,5|C<4>,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>}	O[3](C[3,6,6]C[3,6,6]C[3,6]2)(C[3,6]C[3,6,6]C[6]H){2|H<1>,2|O<2>,5|C<4>}	116.7750	0.000	1	116.7750	0.000	1	116.7750	0.000	1	114.7200	4.212	4	114.5667	4.938	6	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:4:2:	4:4:4:2:	4:4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-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])	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]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]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,5|C<4>,5|H<1>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|H<1>,2|O<2>,6|C<4>}	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1	114.7200	4.212	4	114.5667	4.938	6	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:4:2:	4:4:4:2:	4:4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-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])	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]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]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|S<3>,2|O<2>,5|C<4>,5|H<1>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|H<1>,2|O<2>,6|C<4>}	112.5550	0.000	1	112.5550	0.000	1	112.5550	0.000	1	114.7200	4.212	4	114.5667	4.938	6	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:4:2:	4:4:4:2:	4:4:	C[3,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	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])	O[3](C[3,6,6]C[3,6,6]C[3,6]C[5,6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|S<3>,2|O<2>,5|C<4>,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>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[5,6])(C[3,6]C[3,6,6]C[6]H){2|H<1>,2|O<2>,5|C<4>}	116.1390	0.000	1	116.1390	0.000	1	116.1390	0.000	1	114.7200	4.212	4	114.5667	4.938	6	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:4:2:	4:4:	C[3,6,6]-4:C[3,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,6,6]C[3,6,6]C[3,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,5|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,6,6]C[3,6,6]C[3,6]2)(C[3,6]C[3,6,6]C[6]H){2|H<1>,2|O<2>,5|C<4>}	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:4:2:	4:4:4:2:	4:4:	C[3,6,6]-4:C[3,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:C[3,6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3])	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	O[3](C[3,6]C[3,6,6]C[3,6]C[3])(C[3]C[3,6]HH)	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,2|H<1>,3|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,5|C<4>,5|H<1>}	O[3](C[3,6]C[3,6,6]C[3,6]C[3])(C[3]C[3,6]HH){2|O<2>,4|C<4>}	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H)	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|O<2>,6|C<4>}	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O[3]C[3,6])(H){1|O<2>,3|C<4>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|H<1>,2|O<2>,6|C<4>}	117.5620	0.000	1	117.5620	0.000	1	118.4170	1.241	3	116.4060	3.301	16	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H)	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|O<2>,6|C<4>}	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(H){1|O<2>,3|C<4>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|H<1>,2|O<2>,6|C<4>}	119.6770	0.000	1	119.6770	0.000	1	118.4170	1.241	3	116.4060	3.301	16	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H)	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,5|C<4>}	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|O<1>,2|C<4>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	118.0120	0.000	1	118.0120	0.000	1	118.4170	1.241	3	116.4060	3.301	16	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O[3]C[3,6])(H){1|O<2>,3|C<4>}	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|O<2>,6|C<4>}	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H){1|H<1>,2|O<2>,3|C<4>}	116.5810	0.000	1	116.5810	0.000	1	114.2197	5.593	3	116.4060	3.301	16	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(H){1|O<2>,3|C<4>}	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|O<2>,6|C<4>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]2H){1|H<1>,2|O<2>,3|C<4>}	111.8510	0.000	1	111.8510	0.000	1	114.2197	5.593	3	116.4060	3.301	16	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|O<1>,2|C<4>}	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,5|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	114.2270	0.000	1	114.2270	0.000	1	114.2197	5.593	3	116.4060	3.301	16	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]C)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)2(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]C)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)2(O[3]C[3,6])(H){1|C<3>,1|H<1>,2|C<4>}	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H){1|O<2>,2|H<1>,3|C<4>}	118.6010	0.000	1	118.6010	0.000	1	116.4586	1.038	10	116.4060	3.301	16	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	116.1245	0.213	2	116.1245	0.045	2	116.4586	1.038	10	116.4060	3.301	16	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	116.1355	1.115	2	116.1355	1.243	2	116.4586	1.038	10	116.4060	3.301	16	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	116.0360	0.724	4	116.0360	0.524	4	116.4586	1.038	10	116.4060	3.301	16	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)2(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]C)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]2H)2	C[3,6](C[3,6]C[3,6]O[3]H)2(O[3]C[3,6])(H){1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3,6]O[3]C)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H){2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]2H)2{1|O<2>,2|H<1>,3|C<4>}	117.3210	0.000	1	117.3210	0.000	1	116.4586	1.038	10	116.4060	3.301	16	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:4:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(C[3]C[3,6]CH)(H)	O[3](C[3,6]C[3,6]2H)2	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(C[3]C[3,6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[3](C[3,6]C[3,6]2H)2{1|O<2>,2|H<1>,3|C<4>}	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:3:	4:4:4:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:C-3:	C[3,6]-4:C[3,6]-4:C[3]-4:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(COO)	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(C[3]C[3,6]CH)(H)	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(COO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(C[3]C[3,6]CH)(H){1|C<4>,1|O<2>,2|H<1>}	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H){1|O<2>,2|H<1>,3|C<4>}	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:4:2:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6,6]-4:C[3,6]-4:C[3]-4:O[3]-2:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6,6]C[3]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH)	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6,6]C[3]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH){2|C<4>,2|O<2>,3|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H){1|H<1>,2|O<2>,3|C<4>}	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:4:	4:4:	C[3,6,6]-4:C[3,6]-4:C[3]-4:O[3]-2:	C[3,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3]-4:	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3])	C[3,6](C[3,6]C[3,6,6]C[3]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH)	O[3](C[3,6]C[3,6,6]C[3,6]C[3])(C[3]C[3,6]HH)	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3,6,6]C[3]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH){2|C<4>,2|O<2>,3|H<1>}	O[3](C[3,6]C[3,6,6]C[3,6]C[3])(C[3]C[3,6]HH){2|O<2>,4|C<4>}	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:4:2:	4:4:4:2:	4:4:	C[3,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6])	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6])	O[3](C[3,6]C[3,6]2C[6])(C[3,6]C[3,6]C[6]O)	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	O[3](C[3,6]C[3,6]2C[6])(C[3,6]C[3,6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	115.4693	0.584	8	115.4693	0.341	8	115.4693	0.341	8	115.4693	0.341	8	115.9305	3.228	28	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5]-4:C[3]-4:O[3]-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3]-4:C[3]-4:	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CC)(O[3]C[3])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CC)	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CC)(O[3]C[3])(H){1|O<2>,4|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CO)(O[3]C[3,5]){2|C<4>,4|H<1>}	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CC){1|O<2>,2|C<4>}	120.0180	0.020	2	120.0180	0.000	2	118.9797	3.235	3	118.9797	3.235	3	118.9797	3.235	3	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5]-4:C[3]-4:O[3]-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3]-4:C[3]-4:	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CH)(O[3]C[3])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CH)	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,4|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CH)(O[3]C[3,5]){1|C<4>,5|H<1>}	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CH){1|O<2>,2|C<4>}	116.9030	0.000	1	116.9030	0.000	1	118.9797	3.235	3	118.9797	3.235	3	118.9797	3.235	3	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(C[3]C[5]O[3]H)(O[3]C[3])(H)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]2H)	C[3](C[3]C[3]O[3]H)(C[3]C[5]O[3]H)(O[3]C[3])(H){2|C<3>,2|C<4>}	C[3](C[3]C[3]O[3]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]2H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	114.9010	0.000	1	114.9010	0.000	1	117.3380	3.295	4	117.3380	3.295	4	117.3380	3.295	4	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[3]O[3]H)(C[3]C[5]O[3]H)(O[3]C[3])(H)	O[3](C[3]C[3]2H)(C[3]C[3]CC)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>}	C[3](C[3]C[3]O[3]H)(C[3]C[5]O[3]H)(O[3]C[3])(H){2|C<3>,2|C<4>}	O[3](C[3]C[3]2H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	117.1430	0.000	1	117.1430	0.000	1	117.3380	3.295	4	117.3380	3.295	4	117.3380	3.295	4	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3]2H)(C[3]C[3]CH)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<3>,1|H<1>}	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|H<1>}	O[3](C[3]C[3]2H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	119.1250	0.000	1	118.6540	0.444	2	117.3380	3.295	4	117.3380	3.295	4	117.3380	3.295	4	116.2675	15.273	52
486	486	962	0:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3]2H)(C[3]C[3]CH)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|H<1>}	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<3>,1|H<1>}	O[3](C[3]C[3]2H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	118.1830	0.000	1	118.6540	0.444	2	117.3380	3.295	4	117.3380	3.295	4	117.3380	3.295	4	116.2675	15.273	52
486	486	962	3:SP3_SP3_SP3	C[3,3]	C[3,4]	O[3]	4:4:4:2:	4:4:4:2:	4:4:	C[3,4]-4:C[3]-4:C[3]-4:O[3]-2:	C[3,3]-4:C[4]-4:C[4]-4:O[3]-2:	C[3,3]-4:C[3,4]-4:	C[3,3](C[3,4]C[4]2O[3])(C[3]C[3]HH)2(O[3]C[3,4])	C[3,4](C[3,3]C[3]2O[3])(C[4]N[4]HH)2(O[3]C[3,3])	O[3](C[3,3]C[3,4]C[3]2)(C[3,4]C[3,3]C[4]2)	C[3,3](C[3,4]C[4]2O[3])(C[3]C[3]HH)2(O[3]C[3,4]){1|N<3>,4|H<1>}	C[3,4](C[3,3]C[3]2O[3])(C[4]N[4]HH)2(O[3]C[3,3]){1|C<4>,4|H<1>}	O[3](C[3,3]C[3,4]C[3]2)(C[3,4]C[3,3]C[4]2){1|N<3>,8|H<1>}	60.6215	0.000	1	60.6215	0.000	1	60.6215	0.000	1	60.6215	0.000	1	60.6215	0.000	1	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,3x6]	C[3,5,6,6]	O[3]	4:4:4:2:	4:3:4:2:	4:4:	C[3,5,6,6]-4:C[3x6]-4:C[6,6]-4:O[3]-2:	C[5,6,6]-4:C[5,6,6a]-3:C[3,3x6]-4:O[3]-2:	C[3,5,6,6]-4:C[3,3x6]-4:	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6])	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6])	O[3](C[3,5,6,6]C[5,6,6a]C[3,3x6]C[5,6,6])(C[3,3x6]C[3,5,6,6]C[3x6]C[6,6])	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6]){1|N<4>,2|C<4>,3|O<2>,5|C<3>}	O[3](C[3,5,6,6]C[5,6,6a]C[3,3x6]C[5,6,6])(C[3,3x6]C[3,5,6,6]C[3x6]C[6,6]){1|N<4>,3|C<4>,3|O<2>,4|C<3>}	58.0666	0.000	1	58.0666	0.000	1	58.0666	0.000	1	58.0666	0.000	1	58.0666	0.000	1	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,3x6]	C[3,6,6]	O[3]	4:4:3:2:	4:4:2:1:	4:4:	C[5,4x6]-4:C[3,6,6]-4:C[6]-3:O[3]-2:	C[3,3x6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,3x6]-4:C[3,6,6]-4:	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6])	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)	O[3](C[3,3x6]C[3,6,6]C[5,4x6]C[6])(C[3,6,6]C[3,3x6]C[3x6]H)	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6]){1|O<2>,2|H<1>,3|C<3>,3|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>}	O[3](C[3,3x6]C[3,6,6]C[5,4x6]C[6])(C[3,6,6]C[3,3x6]C[3x6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	59.4505	0.179	2	59.4505	0.032	2	59.4505	0.032	2	59.4505	0.032	2	59.4505	0.032	2	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,3x6]	C[3,6]	O[3]	4:4:4:2:	4:3:2:1:	4:4:	C[5,4x6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,3x6]-4:C[6,6a]-3:O[3]-2:H-1:	C[3,3x6]-4:C[3,6]-4:	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[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H)	O[3](C[3,3x6]C[5,4x6]C[3,6]C[6,6])(C[3,6]C[3,3x6]C[6,6a]H)	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>}	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	O[3](C[3,3x6]C[5,4x6]C[3,6]C[6,6])(C[3,6]C[3,3x6]C[6,6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	61.3336	0.000	1	61.3336	0.000	1	61.3336	0.000	1	61.3336	0.000	1	61.3336	0.000	1	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,4,6]	C[3,6]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[4,6]-4:C[4,6]-4:C[3,6]-4:O[3]-2:	C[3,4,6]-4:O[3]-2:C[6]-4:H-1:	C[3,4,6]-4:C[3,6]-4:	C[3,4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,4,6]C[4,6]2O[3])(O[3]C[3,4,6])(C[6]C[6]HH)(H)	O[3](C[3,4,6]C[3,6]C[4,6]2)(C[3,6]C[3,4,6]C[6]H)	C[3,4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,3|C<4>,4|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>}	O[3](C[3,4,6]C[3,6]C[4,6]2)(C[3,6]C[3,4,6]C[6]H){1|O<2>,3|C<4>,4|H<1>}	60.8266	0.000	1	60.8266	0.000	1	60.8266	0.000	1	60.8266	0.000	1	60.8266	0.000	1	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,4]	C[3,3]	O[3]	4:4:4:2:	4:4:4:2:	4:4:	C[3,3]-4:C[4]-4:C[4]-4:O[3]-2:	C[3,4]-4:C[3]-4:C[3]-4:O[3]-2:	C[3,3]-4:C[3,4]-4:	C[3,4](C[3,3]C[3]2O[3])(C[4]N[4]HH)2(O[3]C[3,3])	C[3,3](C[3,4]C[4]2O[3])(C[3]C[3]HH)2(O[3]C[3,4])	O[3](C[3,3]C[3,4]C[3]2)(C[3,4]C[3,3]C[4]2)	C[3,4](C[3,3]C[3]2O[3])(C[4]N[4]HH)2(O[3]C[3,3]){1|C<4>,4|H<1>}	C[3,3](C[3,4]C[4]2O[3])(C[3]C[3]HH)2(O[3]C[3,4]){1|N<3>,4|H<1>}	O[3](C[3,3]C[3,4]C[3]2)(C[3,4]C[3,3]C[4]2){1|N<3>,8|H<1>}	59.8502	0.000	1	59.8502	0.000	1	59.8502	0.000	1	59.8502	0.000	1	59.8502	0.000	1	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,4]	C[3,4]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,4]-4:C[4,4]-4:O[3]-2:H-1:	C[4,4,5]-4:C[3,4]-4:O[3]-2:H-1:	C[3,4]-4:C[3,4]-4:	C[3,4](C[3,4]C[4,4,5]O[3]H)(C[4,4]C[4,4,5]C[4]H)(O[3]C[3,4])(H)	C[3,4](C[4,4,5]C[4,4]C[4,5]C[5])(C[3,4]C[4,4]O[3]H)(O[3]C[3,4])(H)	O[3](C[3,4]C[4,4,5]C[3,4]H)(C[3,4]C[3,4]C[4,4]H)	C[3,4](C[3,4]C[4,4,5]O[3]H)(C[4,4]C[4,4,5]C[4]H)(O[3]C[3,4])(H){1|C<3>,1|H<1>,2|C<4>}	C[3,4](C[4,4,5]C[4,4]C[4,5]C[5])(C[3,4]C[4,4]O[3]H)(O[3]C[3,4])(H){1|O<2>,2|C<4>,4|H<1>}	O[3](C[3,4]C[4,4,5]C[3,4]H)(C[3,4]C[3,4]C[4,4]H){1|H<1>,3|C<4>}	59.1289	0.000	1	59.1289	0.000	1	59.1289	0.000	1	59.2673	0.038	2	59.2673	0.038	2	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,4]	C[3,4]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[4,4,5]-4:C[3,4]-4:O[3]-2:H-1:	C[3,4]-4:C[4,4]-4:O[3]-2:H-1:	C[3,4]-4:C[3,4]-4:	C[3,4](C[4,4,5]C[4,4]C[4,5]C[5])(C[3,4]C[4,4]O[3]H)(O[3]C[3,4])(H)	C[3,4](C[3,4]C[4,4,5]O[3]H)(C[4,4]C[4,4,5]C[4]H)(O[3]C[3,4])(H)	O[3](C[3,4]C[4,4,5]C[3,4]H)(C[3,4]C[3,4]C[4,4]H)	C[3,4](C[4,4,5]C[4,4]C[4,5]C[5])(C[3,4]C[4,4]O[3]H)(O[3]C[3,4])(H){1|O<2>,2|C<4>,4|H<1>}	C[3,4](C[3,4]C[4,4,5]O[3]H)(C[4,4]C[4,4,5]C[4]H)(O[3]C[3,4])(H){1|C<3>,1|H<1>,2|C<4>}	O[3](C[3,4]C[4,4,5]C[3,4]H)(C[3,4]C[3,4]C[4,4]H){1|H<1>,3|C<4>}	59.4057	0.000	1	59.4057	0.000	1	59.4057	0.000	1	59.2673	0.038	2	59.2673	0.038	2	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,4]	C[3]	O[3]	4:4:3:2:	4:2:3:1:	4:4:	C[4]-4:C[3]-4:C[4]-3:O[3]-2:	C[3,4]-4:O[3]-2:N-3:H-1:	C[3,4]-4:C[3]-4:	C[3,4](C[4]C[5]N[4]H)(C[3]O[3]HN)(C[4]N[4]O)(O[3]C[3])	C[3](C[3,4]C[4]2O[3])(O[3]C[3,4])(NOO)(H)	O[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HN)	C[3,4](C[4]C[5]N[4]H)(C[3]O[3]HN)(C[4]N[4]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3](C[3,4]C[4]2O[3])(O[3]C[3,4])(NOO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HN){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	58.2383	0.000	1	58.2383	0.000	1	58.2383	0.000	1	58.2383	0.000	1	58.2383	0.000	1	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,5]	C[3,5]	O[3]	4:4:2:3:	4:4:2:1:	4:4:	C[5,5,6]-4:C[3,5]-4:O[3]-2:C[5]-3:	C[3,5,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5,5]-4:C[3,5]-4:	C[3,5,5](C[5,5,6]C[5,6]2C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)	C[3,5](C[3,5,5]C[5,5,6]C[5]O[3])(C[5]C[5,6]HH)(O[3]C[3,5,5])(H)	O[3](C[3,5,5]C[5,5,6]C[3,5]C[5])(C[3,5]C[3,5,5]C[5]H)	C[3,5,5](C[5,5,6]C[5,6]2C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O){1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[5,5,6]C[5]O[3])(C[5]C[5,6]HH)(O[3]C[3,5,5])(H){1|O<1>,2|O<2>,3|C<4>}	O[3](C[3,5,5]C[5,5,6]C[3,5]C[5])(C[3,5]C[3,5,5]C[5]H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	59.8628	0.155	2	59.8628	0.024	2	59.8628	0.024	2	59.8628	0.024	2	59.8628	0.024	2	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6,6]	C[3,3x6]	O[3]	4:3:4:2:	4:4:4:2:	4:4:	C[5,6,6]-4:C[5,6,6a]-3:C[3,3x6]-4:O[3]-2:	C[3,5,6,6]-4:C[3x6]-4:C[6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[3,3x6]-4:	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6])	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6])	O[3](C[3,5,6,6]C[5,6,6a]C[3,3x6]C[5,6,6])(C[3,3x6]C[3,5,6,6]C[3x6]C[6,6])	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6]){1|N<4>,2|C<4>,3|O<2>,5|C<3>}	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	O[3](C[3,5,6,6]C[5,6,6a]C[3,3x6]C[5,6,6])(C[3,3x6]C[3,5,6,6]C[3x6]C[6,6]){1|N<4>,3|C<4>,3|O<2>,4|C<3>}	58.5280	0.000	1	58.5280	0.000	1	58.5280	0.000	1	58.5280	0.000	1	58.5280	0.000	1	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6,6]	C[3,5,6,6]	O[3]	3:3:4:2:	4:3:3:2:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O[3]-2:	C[3,5,6,6]-4:C[3,5,6,6]-4:	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6])	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6]){1|N<3>,2|C<4>,7|C<3>}	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	59.9184	0.000	1	59.9184	0.000	1	59.9184	0.000	1	59.9184	0.000	1	58.8379	0.569	6	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6,6]	C[3,5,6,6]	O[3]	4:3:3:2:	3:3:4:2:	4:4:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O[3]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[3,5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6])	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6])	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6]){1|N<3>,2|C<4>,7|C<3>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3,5,6,6]C[5,6,6]2O[3])(O[3]C[3,5,6,6]){2|C<4>,6|C<3>}	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[3,5,6,6]C[3,5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	57.8366	0.000	1	57.8366	0.000	1	57.8366	0.000	1	57.8366	0.000	1	58.8379	0.569	6	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6,6]	C[3,5,6,6]	O[3]	4:3:4:2:	4:4:3:2:	4:4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3x6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:O[3]-2:	C[3,5,6,6]-4:C[3,5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6])	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3x6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6]){2|O<2>,3|C<4>,5|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6]){1|C<4>,1|N<4>,1|O<2>,7|C<3>}	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3x6]){1|N<4>,1|O<2>,2|C<4>,5|C<3>}	58.3764	0.000	1	58.3764	0.000	1	58.3764	0.000	1	58.3764	0.000	1	58.8379	0.569	6	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6,6]	C[3,5,6,6]	O[3]	4:4:3:2:	4:3:4:2:	4:4:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:O[3]-2:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3x6]-4:O[3]-2:	C[3,5,6,6]-4:C[3,5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6])	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3x6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6]){1|C<4>,1|N<4>,1|O<2>,7|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6]){2|O<2>,3|C<4>,5|C<3>}	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[5,6,6])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3x6]){1|N<4>,1|O<2>,2|C<4>,5|C<3>}	59.1914	0.000	1	59.1914	0.000	1	59.1914	0.000	1	59.1914	0.000	1	58.8379	0.569	6	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6,6]	C[3,5,6,6]	O[3]	4:4:3:2:	4:4:4:2:	4:4:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[3,5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6])	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6]){2|C<4>,2|O<2>,6|C<3>}	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)2{2|C<4>,3|O<2>,5|C<3>}	58.4424	0.000	1	58.4424	0.000	1	58.4424	0.000	1	58.4424	0.000	1	58.8379	0.569	6	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6,6]	C[3,5,6,6]	O[3]	4:4:4:2:	4:4:3:2:	4:4:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:O[3]-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O[3]-2:	C[3,5,6,6]-4:C[3,5,6,6]-4:	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6])	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6])	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)2	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6]){2|C<4>,2|O<2>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	O[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6]2)2{2|C<4>,3|O<2>,5|C<3>}	59.2621	0.000	1	59.2621	0.000	1	59.2621	0.000	1	59.2621	0.000	1	58.8379	0.569	6	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[5,6,6]-4:C[5,5,6]-4:C[3,6]-4:O[3]-2:	C[3,5,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,5,6,6]-4:C[3,6]-4:	C[3,5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	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)	O[3](C[3,5,6,6]C[5,5,6]C[5,6,6]C[3,6])(C[3,6]C[3,5,6,6]C[6]H)	C[3,5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,6|H<1>,7|C<4>}	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>}	O[3](C[3,5,6,6]C[5,5,6]C[5,6,6]C[3,6])(C[3,6]C[3,5,6,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	60.8124	0.267	3	60.8124	0.071	3	60.8124	0.071	3	60.8124	0.071	3	60.8124	0.071	3	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:2:4:4:	4:2:4:4:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH)	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,6|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,7|H<1>}	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	59.5260	0.000	1	59.5260	0.000	1	59.7107	0.068	2	59.7107	0.068	2	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:2:4:4:	4:2:4:4:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH)	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,7|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,6|H<1>}	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	59.8954	0.000	1	59.8954	0.000	1	59.7107	0.068	2	59.7107	0.068	2	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:3:3:2:	4:4:3:2:	4:4:	C[3,5,6]-4:C[5]-3:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6]){1|H<1>,2|C<3>,2|C<4>,3|O<1>}	58.9190	0.000	1	58.9190	0.000	1	58.9190	0.000	1	58.6051	0.197	2	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:3:3:2:	4:4:3:2:	4:4:	C[3,5,6]-4:C[6,6a]-3:C[5,6]-3:O[3]-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[6,6a]C[5,6])(C[3,5,6]C[3,5,6]C[5,6]C[6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,2|H<1>,5|C<3>}	O[3](C[3,5,6]C[3,5,6]C[6,6a]C[5,6])(C[3,5,6]C[3,5,6]C[5,6]C[6]){1|O<1>,2|C<4>,5|C<3>}	58.2913	0.000	1	58.2913	0.000	1	58.2913	0.000	1	58.6051	0.197	2	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]N[5,6]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(H){1|N<3>,1|O<1>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]N[5,6]H)(O[3]C[3,5,6])(H){2|C<3>,3|H<1>}	O[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	59.5626	0.000	1	59.5626	0.000	1	59.8591	0.176	2	59.8389	0.091	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]N[5,6]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]N[5,6]H)(O[3]C[3,5,6])(H){2|C<3>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(H){1|N<3>,1|O<1>,3|H<1>}	O[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	60.1555	0.000	1	60.1555	0.000	1	59.8591	0.176	2	59.8389	0.091	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[3x5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5,6]C[3x5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H)	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	O[3](C[3,5,6]C[3,5,6]C[3x5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H){1|H<1>,1|O<2>,3|C<4>}	59.2760	0.000	1	59.5876	0.194	2	59.5876	0.194	2	59.8389	0.091	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[3x5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5,6]C[3x5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H)	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>}	O[3](C[3,5,6]C[3,5,6]C[3x5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H){1|H<1>,1|O<2>,3|C<4>}	59.8991	0.000	1	59.5876	0.194	2	59.5876	0.194	2	59.8389	0.091	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[5,5,6,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5,5,6,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[5,5,6,6]C[3,5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H)	C[3,5,6](C[3,5,6]C[5,5,6,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	C[3,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|O<2>,3|C<4>,3|H<1>}	O[3](C[3,5,6]C[5,5,6,6]C[3,5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H){1|H<1>,1|O<2>,3|C<4>}	59.8704	0.157	2	59.8704	0.025	2	59.8704	0.025	2	59.8389	0.091	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3x5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5,6]C[3x5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H)	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	O[3](C[3,5,6]C[3,5,6]C[3x5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H){1|H<1>,1|O<2>,3|C<4>}	60.3845	0.000	1	60.0528	0.220	2	60.0528	0.220	2	59.8389	0.091	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3x5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5,6]C[3x5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H)	C[3,5,6](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|Cl<1>,1|N<3>,2|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	O[3](C[3,5,6]C[3,5,6]C[3x5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H){1|H<1>,1|O<2>,3|C<4>}	59.7210	0.000	1	60.0528	0.220	2	60.0528	0.220	2	59.8389	0.091	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,5,6]C[5,5,6,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[5,5,6,6]C[3,5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H)	C[3,5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|O<2>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	O[3](C[3,5,6]C[5,5,6,6]C[3,5,6]H)(C[3,5,6]C[3,5,6]C[5,5,6]H){1|H<1>,1|O<2>,3|C<4>}	59.6638	0.015	2	59.6638	0.000	2	59.6638	0.000	2	59.8389	0.091	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|H<1>,3|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){4|C<3>}	O[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2{1|H<1>,1|N<3>,3|C<3>}	59.8392	0.000	1	59.8392	0.000	1	60.0001	0.052	2	59.8389	0.091	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){4|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|H<1>,3|C<3>}	O[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2{1|H<1>,1|N<3>,3|C<3>}	60.1610	0.000	1	60.1610	0.000	1	60.0001	0.052	2	59.8389	0.091	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:C-4:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:C-4:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5,5,6]O[3]C)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(CCHH)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[3,5,6]C[5,5,6]O[3]C)(O[3]C[3,5,6])(CH3)	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2	C[3,5,6](C[3,5,6]C[5,5,6]O[3]C)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(CCHH){1|C<3>,1|C<4>,4|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[3,5,6]C[5,5,6]O[3]C)(O[3]C[3,5,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2{1|C<3>,1|H<1>,3|C<4>}	59.6168	0.261	5	59.6168	0.068	5	59.6168	0.068	5	59.7742	0.075	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,5,6]-4:C[6]-4:O[3]-2:C[5]-4:	C[3,5,6]-4:C[6]-4:O[3]-2:C[5]-4:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH)	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH){1|C<4>,1|N<3>,7|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH){1|C<4>,1|N<3>,7|H<1>}	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2{3|C<4>,8|H<1>}	59.8224	0.159	2	59.8224	0.025	2	59.8224	0.025	2	59.7742	0.075	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:C-4:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:C-4:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[3,5,6]C[5,5,6]O[3]C)(O[3]C[3,5,6])(CH3)	C[3,5,6](C[3,5,6]C[5,5,6]O[3]C)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(CCHH)	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2	C[3,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[3,5,6]C[5,5,6]O[3]C)(O[3]C[3,5,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]O[3]C)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(CCHH){1|C<3>,1|C<4>,4|H<1>}	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2{1|C<3>,1|H<1>,3|C<4>}	59.9123	0.277	5	59.9123	0.077	5	59.9123	0.077	5	59.7742	0.075	12	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:3:2:	4:3:3:2:	4:4:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5]-3:C[6]-3:O[3]-2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6]){1|H<1>,2|C<3>,2|C<4>,3|O<1>}	58.9534	0.000	1	58.9534	0.000	1	58.9534	0.000	1	59.6342	0.927	2	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:3:2:	4:3:3:2:	4:4:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[6,6a]-3:C[5,6]-3:O[3]-2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[6,6a]C[5,6])(C[3,5,6]C[3,5,6]C[5,6]C[6])	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,2|H<1>,5|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[3]C[3,5,6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	O[3](C[3,5,6]C[3,5,6]C[6,6a]C[5,6])(C[3,5,6]C[3,5,6]C[5,6]C[6]){1|O<1>,2|C<4>,5|C<3>}	60.3149	0.000	1	60.3149	0.000	1	60.3149	0.000	1	59.6342	0.927	2	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:3:2:	4:4:3:2:	4:4:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[5,6]C[6])2	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,1|O<2>,7|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,2|O<2>,5|C<3>}	O[3](C[3,5,6]C[3,5,6]C[5,6]C[6])2{1|C<4>,1|O<2>,2|O<1>,5|C<3>}	59.2878	0.000	1	59.2878	0.000	1	59.1239	0.054	2	59.3033	0.115	4	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:3:2:	4:4:3:2:	4:4:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[5,6]C[6])2	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,2|O<2>,5|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,1|O<2>,7|C<3>}	O[3](C[3,5,6]C[3,5,6]C[5,6]C[6])2{1|C<4>,1|O<2>,2|O<1>,5|C<3>}	58.9600	0.000	1	58.9600	0.000	1	59.1239	0.054	2	59.3033	0.115	4	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:3:2:	4:4:3:2:	4:4:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,3|H<1>,4|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6]){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	59.7668	0.000	1	59.7668	0.000	1	59.7668	0.000	1	59.3033	0.115	4	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:3:2:	4:4:3:2:	4:4:	C[3,5,6]-4:C[5]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6])	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,3|H<1>,4|C<3>}	O[3](C[3,5,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[5]C[6]){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	59.1987	0.000	1	59.1987	0.000	1	59.1987	0.000	1	59.3033	0.115	4	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:4:2:	4:4:4:2:	4:4:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[3,5,6]-4:	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[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6])	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2	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>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6]){2|H<1>,3|C<3>,3|C<4>}	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2{1|N<3>,4|C<4>,6|H<1>}	59.3549	0.000	1	59.3549	0.000	1	59.7680	0.341	2	59.7680	0.341	2	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5,6]	O[3]	4:4:4:2:	4:4:4:2:	4:4:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6])	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])	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6]){2|H<1>,3|C<3>,3|C<4>}	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>}	O[3](C[3,5,6]C[3,5,6]C[5]C[6])2{1|N<3>,4|C<4>,6|H<1>}	60.1811	0.000	1	60.1811	0.000	1	59.7680	0.341	2	59.7680	0.341	2	59.6668	0.200	36	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	3:4:4:2:	4:2:4:1:	4:4:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6]-4:C[3,5]-4:	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5])	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(O[3]C[3,5,6])(C[5]C[5]CC)(H)	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5]){5|C<3>,5|H<1>}	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(O[3]C[3,5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5]H){1|H<1>,2|C<4>,4|C<3>}	58.7623	0.195	2	58.7623	0.038	2	58.7623	0.038	2	58.7623	0.038	2	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	4:3:2:3:	4:2:4:4:	4:4:	C[3,5]-4:C[5,6]-3:O[3]-2:C[6]-3:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5,6]-4:C[3,5]-4:	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O){1|C<3>,6|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H){1|O<2>,2|C<3>,2|H<1>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	58.1709	0.000	1	58.1709	0.000	1	58.1709	0.000	1	58.1709	0.000	1	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	4:3:4:2:	4:4:2:3:	4:4:	C[3,5]-4:C[6,6a]-3:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[5,6]-4:O[3]-2:C[6a]-3:	C[3,5,6]-4:C[3,5]-4:	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2)	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5,6]C[6a])	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5,6]C[6a]){4|C<4>,5|C<3>}	59.3998	0.000	1	59.3998	0.000	1	59.3998	0.000	1	59.3998	0.000	1	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-3:H-1:	C[3,5,6]-4:C[3,5]-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])	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]O)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]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]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]O)(H){1|C<3>,1|H<1>,5|C<4>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){1|O<1>,6|C<4>}	58.7401	0.000	1	58.7401	0.000	1	58.7401	0.000	1	58.7401	0.000	1	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6]-4:C[3,5]-4:	C[3,5,6](C[3,5]C[5]O[3]H)(C[5,6]C[5]O[6]C)(C[6]O[6]HH)(O[3]C[3,5])	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)	C[3,5,6](C[3,5]C[5]O[3]H)(C[5,6]C[5]O[6]C)(C[6]O[6]HH)(O[3]C[3,5]){1|C<4>,1|O<2>,3|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|C<4>,3|H<1>,3|O<2>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H){2|C<4>,2|O<2>,4|H<1>}	59.4804	0.174	2	59.4804	0.030	2	59.4804	0.030	2	59.3131	0.116	9	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6]-4:C[3,5]-4:	C[3,5,6](C[6,6]C[3,6,6]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[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5,6](C[6,6]C[3,6,6]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<2>,2|C<3>,2|C<4>,6|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){1|C<3>,2|H<1>,5|C<4>}	59.6271	0.057	2	59.6271	0.003	2	59.2654	0.137	7	59.3131	0.116	9	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6]-4:C[3,5]-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])	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]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]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){2|H<1>,6|C<4>}	58.5994	0.000	1	59.0255	0.090	4	59.2654	0.137	7	59.3131	0.116	9	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6]-4:C[3,5]-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])	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]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]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){1|C<3>,2|H<1>,5|C<4>}	59.1675	0.120	3	59.0255	0.090	4	59.2654	0.137	7	59.3131	0.116	9	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5,6]-4:C[3,5]-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])	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]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]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(H){1|C<3>,2|H<1>,4|C<4>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){1|O<2>,2|H<1>,5|C<4>}	59.5015	0.000	1	59.5015	0.000	1	59.2654	0.137	7	59.3131	0.116	9	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	4:4:4:2:	4:2:4:4:	4:4:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5,6]-4:C[3,5]-4:	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5])	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3){1|H<1>,2|C<4>,2|O<2>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C){2|C<4>,2|H<1>,4|O<2>}	59.8822	0.000	1	59.8822	0.000	1	59.8822	0.000	1	59.3856	0.493	2	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	4:4:4:2:	4:2:4:4:	4:4:	C[5,6]-4:C[3,5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5,6]-4:C[3,5]-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])	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCCH)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)	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>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCCH){1|C<3>,3|C<4>,3|H<1>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C){1|C<3>,3|H<1>,4|C<4>}	58.8891	0.000	1	58.8891	0.000	1	58.8891	0.000	1	59.3856	0.493	2	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,5]-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])	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(C[5,6]C[5,6]C[6]O)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5,6]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]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(C[5,6]C[5,6]C[6]O)(O[3]C[3,5,6])(H){1|C<3>,1|H<1>,7|C<4>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5,6]H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	59.8685	0.000	1	59.8685	0.000	1	59.8685	0.000	1	59.6381	0.106	2	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,5]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,5]-4:	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[3,5](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,6]2H)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5,6]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]){1|O<2>,3|C<4>,5|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,6]2H)(O[3]C[3,5,6])(H){4|H<1>,6|C<4>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5,6]H){3|H<1>,5|C<4>}	59.4077	0.000	1	59.4077	0.000	1	59.4077	0.000	1	59.6381	0.106	2	59.2056	0.225	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,6,6]	O[3]	4:4:2:4:	4:4:4:2:	4:4:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[5]-4:	C[3,5,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[3,6,6]-4:	C[3,5,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(O[3]C[3,6,6])(C[5]C[5]HH)	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])	O[3](C[3,5,6]C[3,6,6]C[5,6]C[5])(C[3,6,6]C[3,5,6]C[6,6]C[6])	C[3,5,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(O[3]C[3,6,6])(C[5]C[5]HH){1|O<2>,4|C<4>,7|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>}	O[3](C[3,5,6]C[3,6,6]C[5,6]C[5])(C[3,6,6]C[3,5,6]C[6,6]C[6]){1|O<2>,4|H<1>,7|C<4>}	59.5890	0.000	1	59.5890	0.000	1	59.5890	0.000	1	59.5890	0.000	1	59.5890	0.000	1	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,6]	O[3]	4:3:2:2:	4:4:2:1:	4:4:	C[3,6]-4:C[5,6]-3:O[3]-2:O[5]-2:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5])	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)	O[3](C[3,5,6]C[3,6]C[5,6]O[5])(C[3,6]C[3,5,6]C[6,6]H)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|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>}	O[3](C[3,5,6]C[3,6]C[5,6]O[5])(C[3,6]C[3,5,6]C[6,6]H){1|H<1>,2|C<3>,3|C<4>}	61.9256	0.000	1	61.9256	0.000	1	61.9256	0.000	1	61.9256	0.000	1	59.9936	0.483	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,6]	O[3]	4:4:2:3:	4:4:2:1:	4:4:	C[3,6]-4:C[5,6]-4:O[3]-2:C[5]-3:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C)	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)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6,6]H)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C){1|O<2>,3|C<4>,3|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>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6,6]H){1|C<3>,2|O<2>,5|C<4>}	59.5245	0.000	1	59.5245	0.000	1	59.5245	0.000	1	59.5245	0.000	1	59.9936	0.483	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,6]	O[3]	4:4:3:2:	4:2:4:1:	4:4:	C[5,6]-4:C[3,6]-4:C[5]-3:O[3]-2:	C[3,5,6]-4:O[3]-2:C[6]-4:H-1:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6])	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)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6]){1|N<3>,4|C<4>,4|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>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|O<1>,2|H<1>,5|C<4>}	59.6194	0.000	1	59.6194	0.000	1	59.6194	0.000	1	59.6194	0.000	1	59.9936	0.483	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,6]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6]){2|C<4>,2|O<1>,3|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]O)(H){1|C<3>,3|C<4>,4|H<1>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	59.3056	0.000	1	59.3056	0.000	1	59.3056	0.000	1	59.7394	0.114	4	59.9936	0.483	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,6]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[4,5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[6]-3:H-1:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6](C[4,5,6]C[4,5,6]C[6]O[4])(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6])	C[3,6](C[3,5,6]C[4,5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H)	O[3](C[3,5,6]C[4,5,6]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H)	C[3,5,6](C[4,5,6]C[4,5,6]C[6]O[4])(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[4,5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,5,6]C[4,5,6]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	59.8840	0.215	3	59.8840	0.046	3	59.8840	0.046	3	59.7394	0.114	4	59.9936	0.483	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,6]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[6]-4:H-1:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6])	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)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6]){1|C<4>,1|O<2>,2|C<3>,4|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>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|N<3>,3|C<4>,5|H<1>}	60.2780	0.221	2	60.2780	0.049	2	60.2780	0.049	2	60.2780	0.049	2	59.9936	0.483	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,6]	O[3]	4:4:4:2:	4:2:4:4:	4:4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:C[6]-4:C-4:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6](C[3,6]C[6]O[3]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(O[3]C[3,6])	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)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C)	C[3,5,6](C[3,6]C[6]O[3]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(O[3]C[3,6]){1|O<2>,2|C<4>,6|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]CO)(CH3){1|O<2>,3|C<4>,4|H<1>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C){2|H<1>,2|O<2>,5|C<4>}	59.9385	0.185	2	59.9385	0.034	2	59.9385	0.034	2	59.9385	0.034	2	59.9936	0.483	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5]CO)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(O[3]C[3,5,6])(H)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[5,6]H)	C[3,5,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5]CO)(O[3]C[3,6]){1|O<2>,4|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(O[3]C[3,5,6])(H){1|O<2>,3|H<1>,5|C<4>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[5,6]H){1|H<1>,2|O<2>,6|C<4>}	59.8810	0.000	1	59.8810	0.000	1	59.8810	0.000	1	59.5806	0.181	2	59.9936	0.483	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6])	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)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	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>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	59.2801	0.000	1	59.2801	0.000	1	59.2801	0.000	1	59.5806	0.181	2	59.9936	0.483	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:4:	4:4:	C[5,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:O[3]-2:C-4:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6])	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)	O[3](C[3,5,6]C[5,6,6]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6]C)	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6]){2|C<3>,3|C<4>,6|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>}	O[3](C[3,5,6]C[5,6,6]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6]C){2|H<1>,2|O<2>,5|C<4>}	60.9331	0.000	1	60.9331	0.000	1	60.9331	0.000	1	60.1416	1.253	2	59.9936	0.483	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:4:	4:4:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[6]-4:O[3]-2:C-4:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6](C[5,6]C[3,6]C[5]H)(C[3,6]C[6]O[3]C)(C[5]C[5]CC)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C)	C[3,5,6](C[5,6]C[3,6]C[5]H)(C[3,6]C[6]O[3]C)(C[5]C[5]CC)(O[3]C[3,6]){1|O<2>,4|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO){1|O<2>,2|H<1>,5|C<4>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C){2|H<1>,7|C<4>}	59.3502	0.000	1	59.3502	0.000	1	59.3502	0.000	1	60.1416	1.253	2	59.9936	0.483	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[5,5,6,6]-4:C[5,6,6]-4:C[3]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:H-1:H-1:	C[3,5,6]-4:C[3]-4:	C[3,5,6](C[5,5,6,6]C[3x5,6]C[3x6]C[5])(C[5,6,6]C[5,5,6]C[6,6]C)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5,6]C[5,5,6,6]C[5,6,6]O[3])(O[3]C[3,5,6])(H)2	O[3](C[3,5,6]C[5,5,6,6]C[5,6,6]C[3])(C[3]C[3,5,6]HH)	C[3,5,6](C[5,5,6,6]C[3x5,6]C[3x6]C[5])(C[5,6,6]C[5,5,6]C[6,6]C)(C[3]O[3]HH)(O[3]C[3]){1|O<1>,2|H<1>,4|C<4>,4|O<2>}	C[3](C[3,5,6]C[5,5,6,6]C[5,6,6]O[3])(O[3]C[3,5,6])(H)2{1|C<3>,5|C<4>}	O[3](C[3,5,6]C[5,5,6,6]C[5,6,6]C[3])(C[3]C[3,5,6]HH){1|C<3>,5|C<4>}	60.4184	0.491	4	60.4184	0.241	4	60.4184	0.241	4	60.0641	0.146	14	60.0641	0.146	14	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:H-1:H-1:	C[3,5,6]-4:C[3]-4:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5,6]C[5,6]2O[3])(O[3]C[3,5,6])(H)2	O[3](C[3,5,6]C[5,6]2C[3])(C[3]C[3,5,6]HH)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<4>,3|H<1>}	C[3](C[3,5,6]C[5,6]2O[3])(O[3]C[3,5,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[3](C[3,5,6]C[5,6]2C[3])(C[3]C[3,5,6]HH){1|H<1>,1|O<2>,4|C<4>}	59.9003	0.232	9	59.9224	0.053	10	59.9224	0.053	10	60.0641	0.146	14	60.0641	0.146	14	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5,6]-4:O[3]-2:H-1:H-1:	C[3,5,6]-4:C[3]-4:	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5,6]C[5,6]2O[3])(O[3]C[3,5,6])(H)2	O[3](C[3,5,6]C[5,6]2C[3])(C[3]C[3,5,6]HH)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3]){2|H<1>,2|O<2>,3|C<4>}	C[3](C[3,5,6]C[5,6]2O[3])(O[3]C[3,5,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[3](C[3,5,6]C[5,6]2C[3])(C[3]C[3,5,6]HH){1|H<1>,1|O<2>,4|C<4>}	60.1218	0.000	1	59.9224	0.053	10	59.9224	0.053	10	60.0641	0.146	14	60.0641	0.146	14	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,5]	O[3]	4:4:2:1:	4:4:2:3:	4:4:	C[3,5,5]-4:C[5]-4:O[3]-2:H-1:	C[5,5,6]-4:C[3,5]-4:O[3]-2:C[5]-3:	C[3,5,5]-4:C[3,5]-4:	C[3,5](C[3,5,5]C[5,5,6]C[5]O[3])(C[5]C[5,6]HH)(O[3]C[3,5,5])(H)	C[3,5,5](C[5,5,6]C[5,6]2C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)	O[3](C[3,5,5]C[5,5,6]C[3,5]C[5])(C[3,5]C[3,5,5]C[5]H)	C[3,5](C[3,5,5]C[5,5,6]C[5]O[3])(C[5]C[5,6]HH)(O[3]C[3,5,5])(H){1|O<1>,2|O<2>,3|C<4>}	C[3,5,5](C[5,5,6]C[5,6]2C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O){1|O<2>,2|C<4>,3|H<1>}	O[3](C[3,5,5]C[5,5,6]C[3,5]C[5])(C[3,5]C[3,5,5]C[5]H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	58.2726	0.164	2	58.2726	0.027	2	58.2726	0.027	2	58.2726	0.027	2	58.2726	0.027	2	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-3:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]O)(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])	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]O)(H){1|C<3>,1|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>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){1|O<1>,6|C<4>}	59.8262	0.000	1	59.8262	0.000	1	59.8262	0.000	1	59.8262	0.000	1	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:2:4:1:	3:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(O[3]C[3,5,6])(C[5]C[5]CC)(H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5])	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(O[3]C[3,5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5]){5|C<3>,5|H<1>}	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5]H){1|H<1>,2|C<4>,4|C<3>}	61.3000	0.172	2	61.3000	0.030	2	61.3000	0.030	2	61.3000	0.030	2	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	C[3,5,6](C[3,5]C[5]O[3]H)(C[5,6]C[5]O[6]C)(C[6]O[6]HH)(O[3]C[3,5])	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|C<4>,3|H<1>,3|O<2>}	C[3,5,6](C[3,5]C[5]O[3]H)(C[5,6]C[5]O[6]C)(C[6]O[6]HH)(O[3]C[3,5]){1|C<4>,1|O<2>,3|H<1>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H){2|C<4>,2|O<2>,4|H<1>}	60.0834	0.092	2	60.0834	0.008	2	60.0834	0.008	2	60.1506	0.085	9	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	C[3,5,6](C[6,6]C[3,6,6]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<2>,2|C<3>,2|C<4>,6|H<1>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){1|C<3>,2|H<1>,5|C<4>}	59.7604	0.126	2	59.7604	0.016	2	60.1698	0.110	7	60.1506	0.085	9	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]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])	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|C<3>,1|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>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){2|H<1>,6|C<4>}	60.4302	0.000	1	60.3653	0.052	4	60.1698	0.110	7	60.1506	0.085	9	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]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])	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|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|O<1>,2|C<3>,2|C<4>,6|H<1>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){1|C<3>,2|H<1>,5|C<4>}	60.3437	0.273	3	60.3653	0.052	4	60.1698	0.110	7	60.1506	0.085	9	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(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])	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(H){1|C<3>,2|H<1>,4|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>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5]H){1|O<2>,2|H<1>,5|C<4>}	60.2065	0.000	1	60.2065	0.000	1	60.1698	0.110	7	60.1506	0.085	9	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:2:4:4:	4:3:2:3:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5]-4:C[5,6]-3:O[3]-2:C[6]-3:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H){1|O<2>,2|C<3>,2|H<1>}	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O){1|C<3>,6|H<1>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	60.3305	0.000	1	60.3305	0.000	1	60.3305	0.000	1	60.3305	0.000	1	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5])	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3){1|H<1>,2|C<4>,2|O<2>}	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C){2|C<4>,2|H<1>,4|O<2>}	59.1419	0.000	1	59.1419	0.000	1	59.1419	0.000	1	59.6658	0.549	2	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[5,6]-4:C[3,5]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCCH)	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])	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCCH){1|C<3>,3|C<4>,3|H<1>}	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>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C){1|C<3>,3|H<1>,4|C<4>}	60.1897	0.000	1	60.1897	0.000	1	60.1897	0.000	1	59.6658	0.549	2	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(C[5,6]C[5,6]C[6]O)(O[3]C[3,5,6])(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])	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5,6]H)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(C[5,6]C[5,6]C[6]O)(O[3]C[3,5,6])(H){1|C<3>,1|H<1>,7|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>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6,6])(C[3,5]C[3,5,6]C[5,6]H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	60.1371	0.000	1	60.1371	0.000	1	60.1371	0.000	1	60.1441	0.000	2	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,6]2H)(O[3]C[3,5,6])(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])	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5,6]H)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,6]2H)(O[3]C[3,5,6])(H){4|H<1>,6|C<4>}	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>}	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5,6]H){3|H<1>,5|C<4>}	60.1510	0.000	1	60.1510	0.000	1	60.1510	0.000	1	60.1441	0.000	2	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5,6]	O[3]	4:4:2:3:	4:3:4:2:	4:4:	C[3,5,6]-4:C[5,6]-4:O[3]-2:C[6a]-3:	C[3,5]-4:C[6,6a]-3:C[5,6]-4:O[3]-2:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2)	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5])	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5,6]C[6a])	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]2)(O[3]C[3,5,6])(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	O[3](C[3,5,6]C[6,6a]C[3,5]C[5,6])(C[3,5]C[3,5,6]C[5,6]C[6a]){4|C<4>,5|C<3>}	59.8058	0.000	1	59.8058	0.000	1	59.8058	0.000	1	59.8058	0.000	1	60.1965	0.270	18	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	3:4:2:1:	4:4:2:4:	4:4:	C[5,6a]-3:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5,5]C)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	O[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5,5]C){1|N<3>,1|O<2>,2|C<3>}	59.2831	0.000	1	59.2831	0.000	1	59.2831	0.000	1	59.2831	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:2:2:1:	4:4:2:1:	4:4:	C[3,5]-4:O[3]-2:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H)	C[3,5](C[3,5]O[3]O[5]H)(C[5,5]C[5]3)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]O[5]H)	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H){1|O<1>,2|C<4>}	C[3,5](C[3,5]O[3]O[5]H)(C[5,5]C[5]3)(O[3]C[3,5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]O[5]H){1|C<3>,2|C<4>}	61.9691	0.404	2	61.9691	0.163	2	61.9691	0.163	2	61.9691	0.163	2	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:2:3:1:	4:3:4:2:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[6a]C[5]O[3])(O[3]C[3,5])(C[5]N[5]C)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[6a]C[5]O[3])(O[3]C[3,5])(C[5]N[5]C)(H){1|S<4>,2|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5]){1|S<4>,2|H<1>,3|C<3>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H){1|N<3>,2|H<1>,3|C<3>}	59.0205	0.000	1	59.0205	0.000	1	59.0205	0.000	1	59.0205	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:2:3:1:	4:4:2:1:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]C[5]O)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]C[5]C)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]C[5]O)(H){2|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]C[5]C)(O[3]C[3,5])(H){1|O<1>,2|C<3>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|O<1>,2|C<3>}	58.5893	0.000	1	58.5893	0.000	1	58.5893	0.000	1	58.5893	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:2:3:3:	4:4:2:1:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCH){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	58.6768	0.000	1	58.6768	0.000	1	58.6768	0.000	1	58.6768	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:2:3:4:	4:4:2:1:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]N[5]O)(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|H<1>,1|O<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	59.4671	0.000	1	59.4671	0.000	1	59.2767	0.120	10	59.2767	0.120	10	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:2:3:4:	4:4:2:1:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	59.2538	0.244	4	59.2538	0.059	4	59.2767	0.120	10	59.2767	0.120	10	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:2:3:4:	4:4:2:1:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	58.7633	0.118	2	58.7633	0.014	2	59.2767	0.120	10	59.2767	0.120	10	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:2:3:4:	4:4:2:1:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHO)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	59.7046	0.000	1	59.7046	0.000	1	59.2767	0.120	10	59.2767	0.120	10	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:2:3:4:	4:4:2:1:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	59.5269	0.133	2	59.5269	0.018	2	59.2767	0.120	10	59.2767	0.120	10	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-3:O[3]-2:H-1:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]O)(O[3]C[3,5])(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]O)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|H<1>,1|O<1>,4|C<4>}	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<1>,2|C<4>}	58.6758	0.133	2	58.6758	0.018	2	58.6758	0.018	2	58.6758	0.018	2	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:3:2:1:	4:4:3:2:	4:4:	C[3,5]-4:C[5,6a]-3:O[3]-2:H-1:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H){1|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5]){2|H<1>,6|C<3>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H){6|C<3>}	58.8152	0.000	1	58.8152	0.000	1	58.8152	0.000	1	58.8152	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:3:2:2:	4:4:2:4:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:O[5]-2:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5])	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3)	O[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3){2|C<3>,2|H<1>}	O[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C){2|C<3>,3|C<4>}	61.7284	0.000	1	61.7284	0.000	1	61.7284	0.000	1	61.7284	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:3:2:3:	4:4:2:1:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:C[5]-3:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6]C[6]2N[5])(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6]C[6]2N[5])(O[3]C[3,5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5,6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	58.9876	0.000	1	58.9876	0.000	1	58.9876	0.000	1	58.9876	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:3:2:4:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HN)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO){1|C<4>,1|H<1>,2|N<2>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HN)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|O<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>}	58.7353	0.147	2	58.7353	0.022	2	58.7353	0.022	2	58.8525	0.052	3	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:3:2:4:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[5,5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO)	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(H)	O[3](C[3,5]C[5,5,6]C[3,5]H)(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO){2|C<4>,2|H<1>}	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[3](C[3,5]C[5,5,6]C[3,5]H)(C[3,5]C[3,5]C[5]C){1|H<1>,1|O<1>,2|C<4>}	59.0870	0.000	1	59.0870	0.000	1	59.0870	0.000	1	58.8525	0.052	3	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:3:4:2:	4:2:3:1:	4:4:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5])	C[3,5](C[3,5]C[6a]C[5]O[3])(O[3]C[3,5])(C[5]N[5]C)(H)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5]){1|S<4>,2|H<1>,3|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(O[3]C[3,5])(C[5]N[5]C)(H){1|S<4>,2|C<3>,2|H<1>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H){1|N<3>,2|H<1>,3|C<3>}	59.5808	0.000	1	59.5808	0.000	1	59.5808	0.000	1	59.5808	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:3:4:2:	4:4:2:1:	4:4:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5])	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]C[5]CC)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5]){3|H<1>,5|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<4>,2|C<3>,3|H<1>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H){1|H<1>,2|C<4>,4|C<3>}	58.8196	0.000	1	58.8196	0.000	1	58.8196	0.000	1	58.8196	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:2:2:1:	4:4:	C[3,5]-4:C[5,5]-4:O[3]-2:H-1:	C[3,5]-4:O[3]-2:O[5]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]O[3]O[5]H)(C[5,5]C[5]3)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]O[5]H)	C[3,5](C[3,5]O[3]O[5]H)(C[5,5]C[5]3)(O[3]C[3,5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H){1|O<1>,2|C<4>}	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]O[5]H){1|C<3>,2|C<4>}	57.7574	0.249	2	57.7574	0.062	2	57.7574	0.062	2	57.7574	0.062	2	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:2:3:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[3]-2:C[5]-3:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]C[5]C)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]C[5]O)(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]C[5]C)(O[3]C[3,5])(H){1|O<1>,2|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]C[5]O)(H){2|C<3>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|O<1>,2|C<3>}	59.9018	0.000	1	59.9018	0.000	1	59.9018	0.000	1	59.9018	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:2:3:3:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[3]-2:C[5]-3:C-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCH)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCH){1|C<4>,1|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	60.3686	0.000	1	60.3686	0.000	1	60.3686	0.000	1	60.3686	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:2:3:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	60.1660	0.127	4	60.1660	0.016	4	60.1911	0.031	10	60.1911	0.031	10	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:2:3:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	60.1535	0.137	2	60.1535	0.019	2	60.1911	0.031	10	60.1911	0.031	10	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:2:3:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]N[5]O)(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|H<1>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	60.1333	0.000	1	60.1333	0.000	1	60.1911	0.031	10	60.1911	0.031	10	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:2:3:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	60.4365	0.121	2	60.4365	0.015	2	60.1911	0.031	10	60.1911	0.031	10	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:2:3:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHO)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	59.9342	0.000	1	59.9342	0.000	1	60.1911	0.031	10	60.1911	0.031	10	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-3:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]O)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|H<1>,1|O<1>,4|C<4>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]O)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<1>,2|C<4>}	59.8284	0.068	2	59.8284	0.005	2	59.8284	0.005	2	59.8284	0.005	2	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:3:2:3:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[6a]-3:O[3]-2:C[5]-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6]C[6]2N[5])(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6]C[6]2N[5])(O[3]C[3,5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,5])(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5,6]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	59.8696	0.000	1	59.8696	0.000	1	59.8696	0.000	1	59.8696	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:3:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HN)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HN)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO){1|C<4>,1|H<1>,2|N<2>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>}	60.2020	0.008	2	60.2020	0.000	2	60.2020	0.000	2	60.1323	0.015	3	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:3:2:4:	4:4:	C[5,5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO)	O[3](C[3,5]C[5,5,6]C[3,5]H)(C[3,5]C[3,5]C[5]C)	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO){2|C<4>,2|H<1>}	O[3](C[3,5]C[5,5,6]C[3,5]H)(C[3,5]C[3,5]C[5]C){1|H<1>,1|O<1>,2|C<4>}	59.9928	0.000	1	59.9928	0.000	1	59.9928	0.000	1	60.1323	0.015	3	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:3:4:2:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]C[5]CC)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5]){3|H<1>,5|C<3>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H){1|H<1>,2|C<4>,4|C<3>}	60.8736	0.000	1	60.8736	0.000	1	60.8736	0.000	1	60.8736	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]C[3]O[3])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]2H)	C[3,5](C[3,5]C[5,6]C[3]O[3])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|H<1>,3|C<4>}	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]2H){2|O<2>,3|C<4>}	59.0921	0.000	1	59.0921	0.000	1	59.0921	0.000	1	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]C[3]O[3])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]2H)	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3,5](C[3,5]C[5,6]C[3]O[3])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]2H){2|O<2>,3|C<4>}	60.3311	0.000	1	60.3311	0.000	1	60.3311	0.000	1	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]N[5,6]C[6]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]N[5,6]C[6]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)2	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]N[5,6]C[6]H)(O[3]C[3,5])(H){3|H<1>,4|C<4>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]N[5,6]C[6]H)(O[3]C[3,5])(H){3|H<1>,4|C<4>}	O[3](C[3,5]C[3,5]C[5,6]H)2{1|N<4>,2|C<4>,2|H<1>}	60.1521	0.456	6	60.1521	0.208	6	59.9156	0.120	18	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)2	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H){1|C<4>,1|O<2>,3|H<1>}	O[3](C[3,5]C[3,5]C[5,6]H)2{1|O<2>,2|C<4>,2|H<1>}	59.8879	0.093	5	59.8194	0.013	10	59.9156	0.120	18	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)2	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H){1|C<4>,1|O<2>,3|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O[3](C[3,5]C[3,5]C[5,6]H)2{1|O<2>,2|C<4>,2|H<1>}	59.7509	0.090	5	59.8194	0.013	10	59.9156	0.120	18	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]O)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]N[6]C)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)2	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]O)(O[3]C[3,5])(H){1|C<3>,1|N<3>,3|C<4>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]N[6]C)(O[3]C[3,5])(H){1|C<3>,1|C<4>,2|O<2>}	O[3](C[3,5]C[3,5]C[5,6]H)2{1|N<3>,2|C<4>,2|O<2>}	59.2625	0.000	1	59.2625	0.000	1	59.9156	0.120	18	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]N[6]C)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]O)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)2	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]N[6]C)(O[3]C[3,5])(H){1|C<3>,1|C<4>,2|O<2>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]O)(O[3]C[3,5])(H){1|C<3>,1|N<3>,3|C<4>}	O[3](C[3,5]C[3,5]C[5,6]H)2{1|N<3>,2|C<4>,2|O<2>}	60.1122	0.000	1	60.1122	0.000	1	59.9156	0.120	18	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H)	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5,6]H){2|O<2>,3|C<4>}	59.6929	0.127	2	60.3843	0.686	6	60.3843	0.686	6	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H)	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5,6]H){2|O<2>,3|C<4>}	60.7300	0.812	4	60.3843	0.686	6	60.3843	0.686	6	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]C)(O[3]C[3,5])(H)	C[3,5](C[5,6,6]C[5,6]C[6,6]C[6])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]C)(O[3]C[3,5])(H){3|C<4>,4|H<1>}	C[3,5](C[5,6,6]C[5,6]C[6,6]C[6])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|C<3>,4|H<1>,5|C<4>}	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]H){5|C<4>}	59.7681	0.000	1	59.7681	0.000	1	59.7681	0.000	1	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(H){2|O<2>,5|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H){1|H<1>,1|O<2>,2|C<4>}	O[3](C[3,5]C[3,5]C[5]H)2{1|H<1>,4|C<4>}	60.0572	0.220	2	60.0572	0.048	2	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H){1|H<1>,1|O<2>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(H){2|O<2>,5|C<4>}	O[3](C[3,5]C[3,5]C[5]H)2{1|H<1>,4|C<4>}	60.3545	0.480	2	60.3545	0.230	2	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<3>,1|H<1>,3|C<4>}	60.4005	0.074	2	60.6881	0.051	10	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H){1|H<1>,1|O<2>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	O[3](C[3,5]C[3,5]C[5]H)2{1|H<1>,4|C<4>}	60.7600	0.189	8	60.6881	0.051	10	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<3>,1|H<1>,3|C<4>}	59.7604	0.053	2	59.7213	0.032	10	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H){1|H<1>,1|O<2>,2|C<4>}	O[3](C[3,5]C[3,5]C[5]H)2{1|H<1>,4|C<4>}	59.7116	0.201	8	59.7213	0.032	10	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){1|C<4>,3|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|N<3>,2|C<4>,2|H<1>}	59.6429	0.000	1	59.6429	0.000	1	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){4|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,3|H<1>}	60.0303	0.810	3	60.0303	0.656	3	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){1|C<4>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|N<3>,2|C<4>,2|H<1>}	59.8042	0.000	1	59.8042	0.000	1	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){4|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,3|H<1>}	59.4041	0.829	3	59.4041	0.687	3	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HO)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){1|O<2>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HO)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	59.4746	0.000	1	59.4746	0.000	1	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HO)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HO)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){1|O<2>,3|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	60.6217	0.000	1	60.6217	0.000	1	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]O[5]H)(O[3]C[3,5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H){1|C<4>,1|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	59.4276	0.000	1	59.4276	0.000	1	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]N[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]N[5]H)(O[3]C[3,5])(H){2|H<1>,3|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<3>,1|N<3>,3|H<1>}	59.6358	0.000	1	59.6358	0.000	1	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H){1|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<3>,1|N<3>,3|H<1>}	59.7835	0.000	1	59.7170	0.003	3	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H){1|S<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,3|H<1>}	59.6838	0.016	2	59.7170	0.003	3	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]N[5]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]N[5]H)(O[3]C[3,5])(H){2|H<1>,3|C<3>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<3>,1|N<3>,3|H<1>}	59.8637	0.000	1	59.8637	0.000	1	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H){1|S<4>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,3|H<1>}	59.6399	0.368	2	59.6848	0.074	3	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H){1|C<3>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<3>,1|N<3>,3|H<1>}	59.7746	0.000	1	59.6848	0.074	3	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5a]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5a]O[5]H)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|N<3>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	60.3944	0.291	3	60.3944	0.084	3	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[6a]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[6a]O[5]H)(O[3]C[3,5])(H){1|C<4>,1|H<1>,2|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|N<3>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	59.3389	0.000	1	59.3389	0.000	1	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5a]O[5]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|N<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5a]O[5]H)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	58.8727	0.821	3	58.8727	0.674	3	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[6a]O[5]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|N<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[6a]O[5]H)(O[3]C[3,5])(H){1|C<4>,1|H<1>,2|C<3>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	60.1765	0.000	1	60.1765	0.000	1	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|S<2>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H){1|C<4>,1|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	60.3111	0.000	1	60.3111	0.000	1	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]O[5]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]O[5]H)(O[3]C[3,5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	59.5567	0.000	1	59.5567	0.000	1	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H){1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|S<2>}	O[3](C[3,5]C[3,5]C[5]H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	59.3185	0.000	1	59.3185	0.000	1	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]P[5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]P[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]P[5]HH)(O[3]C[3,5])(H){1|N<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]P[5]HH)(O[3]C[3,5])(H){1|N<3>,1|O<1>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]H)2{1|P<4>,4|H<1>}	59.5211	0.288	2	59.5211	0.083	2	59.9186	0.359	56	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]C[5,5]HH)(O[3]C[3,5])(H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]C[5,5]HH)(O[3]C[3,5])(H){1|C<4>,1|O<2>,2|H<1>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|C<3>,1|O<2>,5|H<1>}	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H){2|C<4>,3|H<1>}	59.6435	0.000	1	59.6435	0.000	1	59.7319	0.016	2	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]N[5,5]HH)(O[3]C[3,5])(H)	C[3,5](C[5,5]N[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]N[5,5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<4>}	C[3,5](C[5,5]N[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|C<4>,3|H<1>}	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	59.8203	0.000	1	59.8203	0.000	1	59.7319	0.016	2	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]C[6a]H)(O[3]C[3,5])(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]C[6a]H)(O[3]C[3,5])(H){1|H<1>,2|C<3>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|C<3>,2|H<1>,4|C<4>}	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	60.0190	0.000	1	60.0190	0.000	1	60.0190	0.000	1	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5,6]H){2|O<2>,3|C<4>}	59.5639	0.233	2	58.9801	0.425	6	58.9801	0.425	6	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[5,5]C[5,6]C[5]O[5])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5,6]H){2|O<2>,3|C<4>}	58.6882	0.591	4	58.9801	0.425	6	58.9801	0.425	6	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]C[5,5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|C<3>,1|O<2>,5|H<1>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]C[5,5]HH)(O[3]C[3,5])(H){1|C<4>,1|O<2>,2|H<1>}	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H){2|C<4>,3|H<1>}	60.2993	0.000	1	60.2993	0.000	1	60.2200	0.013	2	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5]N[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]N[5,5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,5]N[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]N[5,5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<4>}	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	60.1407	0.000	1	60.1407	0.000	1	60.2200	0.013	2	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6,6]C[5,6]C[6,6]C[6])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]C)(O[3]C[3,5])(H)	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[5,6,6]C[5,6]C[6,6]C[6])(C[3,5]C[5,6]O[3]H)(O[3]C[3,5])(H){1|C<3>,4|H<1>,5|C<4>}	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]C)(O[3]C[3,5])(H){3|C<4>,4|H<1>}	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]H){5|C<4>}	59.3564	0.000	1	59.3564	0.000	1	59.3564	0.000	1	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]C[6a]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|C<3>,2|H<1>,4|C<4>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]C[6a]H)(O[3]C[3,5])(H){1|H<1>,2|C<3>,3|C<4>}	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	59.1024	0.000	1	59.1024	0.000	1	59.1024	0.000	1	59.8717	0.378	96	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:3:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C[5]-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]CC)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])(C[5]C[5]2)	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])(C[5]C[5]2){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]H){1|C<3>,1|O<2>,5|C<4>}	59.3692	0.000	1	59.3692	0.000	1	59.3692	0.000	1	59.8851	0.131	14	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:3:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[6]-4:O[3]-2:C[5]-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]C[6]O[3])(C[5]C[5]CH)(O[3]C[3,5])(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)	O[3](C[3,5]C[3,5]C[5]C[6])(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]C[6]O[3])(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	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>}	O[3](C[3,5]C[3,5]C[5]C[6])(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	60.5237	0.000	1	60.5237	0.000	1	60.5237	0.000	1	59.8851	0.131	14	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:3:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:C-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,5]O[3]C)(C[5]C[5,5]CH)(O[3]C[3,5])(H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(COO)	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5,5]O[3]C)(C[5]C[5,5]CH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,2|H<1>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(COO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	59.7041	0.000	1	59.7041	0.000	1	59.7041	0.000	1	59.8851	0.131	14	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:3:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO){1|C<3>,1|C<4>,5|H<1>}	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	59.9983	0.000	1	59.9177	0.102	10	59.8903	0.100	11	59.8851	0.131	14	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:3:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO){2|C<4>,5|H<1>}	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	59.9088	0.337	9	59.9177	0.102	10	59.8903	0.100	11	59.8851	0.131	14	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:3:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO){1|O<2>,2|C<4>,4|H<1>}	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<2>,3|C<4>}	59.6165	0.000	1	59.6165	0.000	1	59.8903	0.100	11	59.8851	0.131	14	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5,5]-4:O[3]-2:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,5]O[3]C)(C[5,5]C[3x5]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[5,5]C[3x5]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H)	C[3,5](C[3,5]C[5,5]O[3]C)(C[5,5]C[3x5]O[5]H)(O[3]C[3,5])(H){1|H<1>,4|C<4>}	C[3,5](C[5,5]C[3x5]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,3|C<4>,3|O<2>}	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H){1|O<2>,2|C<4>,2|H<1>}	60.0525	0.000	1	60.0525	0.000	1	60.0525	0.000	1	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6]2)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6]2)(O[3]C[3,5])(H){1|O<1>,2|C<4>,6|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<3>,1|C<4>,2|H<1>}	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	60.7420	0.000	1	60.7420	0.000	1	60.7420	0.000	1	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCCH)	O[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]2C)	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(H){1|O<2>,2|C<4>}	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCCH){1|C<4>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]2C){1|O<2>,2|C<4>,2|H<1>}	60.0209	0.000	1	60.0209	0.000	1	60.0209	0.000	1	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	59.5602	0.000	1	59.5602	0.000	1	60.1598	0.133	13	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(CCHH)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(CCHH){1|C<4>,3|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	60.8089	0.000	1	60.8089	0.000	1	60.1598	0.133	13	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HN)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HN)(O[3]C[3,5])(H){4|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|N<3>,3|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	60.1632	0.274	4	60.1632	0.075	4	60.1598	0.133	13	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HH)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){2|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HH)(O[3]C[3,5])(CH3){1|C<3>,1|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|O<2>,3|H<1>}	60.1945	0.111	2	60.1945	0.012	2	60.1598	0.133	13	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|S<4>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|N<3>,2|C<4>,2|H<1>}	60.2243	0.475	3	60.2243	0.226	3	60.1598	0.133	13	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|S<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|S<4>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	60.1608	0.000	1	60.1608	0.000	1	60.1598	0.133	13	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]HH)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]HH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3){1|S<4>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	59.8328	0.000	1	59.8328	0.000	1	60.1598	0.133	13	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCHO)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H){4|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCHO){1|C<3>,2|C<4>,4|H<1>}	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	59.7570	0.000	1	59.7570	0.000	1	59.9500	0.074	2	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CC[6]CH)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CC[6]CH){2|C<4>,2|O<2>,3|H<1>}	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<2>,3|C<4>}	60.1430	0.000	1	60.1430	0.000	1	59.9500	0.074	2	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HH)(O[3]C[3,5])(H)	C[3,5](C[5]C[5,5]C[6a]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[3,5](C[5]C[5,5]C[6a]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	60.0312	0.000	1	60.0312	0.000	1	60.0312	0.000	1	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,5]-4:P[5]-4:O[3]-2:H-1:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]C)(P[5]C[5,6]C[6a]W)(O[3]C[3,5])(H)	C[3,5](C[5,6]C[3,6]C[5,6]C)(C[3,5]O[3]P[5]H)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]P[5]H)	C[3,5](C[3,5]C[5,6]O[3]C)(P[5]C[5,6]C[6a]W)(O[3]C[3,5])(H){2|C<4>,3|C<3>}	C[3,5](C[5,6]C[3,6]C[5,6]C)(C[3,5]O[3]P[5]H)(O[3]C[3,5])(CH3){1|C<4>,1|O<2>,1|W<6>,3|C<3>}	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]P[5]H){1|W<6>,2|C<3>,2|C<4>}	59.2054	0.000	1	59.2054	0.000	1	59.2054	0.000	1	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5]C[3x5,6]O[5]H)(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	C[3,5](C[5,5]C[3x5,6]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H)	C[3,5](C[5,5]C[3x5,6]O[5]H)(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,4|C<4>}	C[3,5](C[5,5]C[3x5,6]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,3|C<4>,3|O<2>}	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H){1|O<2>,2|C<4>,2|H<1>}	60.0821	0.000	1	60.0821	0.000	1	60.0821	0.000	1	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[5,6,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6,6]C[5,6]C[6,6]C[6])(C[3,5]C[5,6]O[3]C)(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]O)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]C)	C[3,5](C[5,6,6]C[5,6]C[6,6]C[6])(C[3,5]C[5,6]O[3]C)(O[3]C[3,5])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]O)(O[3]C[3,5])(CH3){1|C<3>,2|C<4>,4|H<1>}	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]C){1|O<2>,4|C<4>}	61.6901	0.000	1	61.6901	0.000	1	61.6901	0.000	1	60.1728	0.257	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:3:2:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5,6]-4:C[3,5]-4:N[5a]-3:O[3]-2:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]N[5a]O[3])(C[5]C[5,6]HH)(O[3]C[3,5])(H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[5,6]N[5a])(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5,6]N[5a]O[3])(C[5]C[5,6]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>,3|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5]){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	O[3](C[3,5]C[3,5]C[5,6]N[5a])(C[3,5]C[3,5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	58.7561	0.000	1	58.7561	0.000	1	58.7561	0.000	1	59.3972	0.822	2	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:1:	4:4:3:2:	4:4:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[4,5,6,6]C[5,6]H)(C[3,5]C[5,6]C[6a]O[3])(O[3]C[3,5])(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[5,6]C[4,5,6,6]C[5,6]H)(C[3,5]C[5,6]C[6a]O[3])(O[3]C[3,5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5]){2|C<3>,3|C<4>,6|H<1>}	O[3](C[3,5]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5]C[5,6]H){2|C<3>,2|H<1>,3|C<4>}	60.0382	0.000	1	60.0382	0.000	1	60.0382	0.000	1	59.3972	0.822	2	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:3:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C[5]-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])(C[5]C[5]2)	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]CC)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])(C[5]C[5]2){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]H){1|C<3>,1|O<2>,5|C<4>}	59.3676	0.000	1	59.3676	0.000	1	59.3676	0.000	1	58.6900	0.230	13	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:3:	4:4:2:1:	4:4:	C[3,5]-4:C[6]-4:O[3]-2:C[5]-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-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)	C[3,5](C[3,5]C[5]C[6]O[3])(C[5]C[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C[6])(C[3,5]C[3,5]C[5]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){4|C<4>,6|H<1>}	C[3,5](C[3,5]C[5]C[6]O[3])(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]C[6])(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	59.3488	0.000	1	59.3488	0.000	1	59.3488	0.000	1	58.6900	0.230	13	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:3:	4:4:2:1:	4:4:	C[5,5]-4:C[3,5]-4:O[3]-2:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(COO)	C[3,5](C[3,5]C[5,5]O[3]C)(C[5]C[5,5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(COO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[3,5](C[3,5]C[5,5]O[3]C)(C[5]C[5,5]CH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,2|H<1>}	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	59.4961	0.000	1	59.4961	0.000	1	59.4961	0.000	1	58.6900	0.230	13	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:3:	4:4:2:1:	4:4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO){1|C<3>,1|C<4>,5|H<1>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	58.6573	0.000	1	58.4566	0.091	9	58.4758	0.085	10	58.6900	0.230	13	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:3:	4:4:2:1:	4:4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO){2|C<4>,5|H<1>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	58.4316	0.313	8	58.4566	0.091	9	58.4758	0.085	10	58.6900	0.230	13	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:3:	4:4:2:1:	4:4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO){1|O<2>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<2>,3|C<4>}	58.6483	0.000	1	58.6483	0.000	1	58.4758	0.085	10	58.6900	0.230	13	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:3:	4:4:3:2:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-3:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]O[5]CO)(O[3]C[3,5])(CNO)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]O[5]CO)(O[3]C[3,5])(CNO){1|O<2>,3|C<3>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C){1|C<4>,3|C<3>,3|O<2>}	59.8293	0.000	1	59.8293	0.000	1	59.8293	0.000	1	59.8293	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	3:4:2:1:	4:4:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[5,6a]-3:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	O[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5,5]C)	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5,5]C){1|N<3>,1|O<2>,2|C<3>}	60.1369	0.000	1	60.1369	0.000	1	60.1369	0.000	1	60.1369	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:3:2:2:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[6a]-3:O[3]-2:O[5]-2:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3)	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5])	O[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3){2|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	O[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C){2|C<3>,3|C<4>}	58.1722	0.000	1	58.1722	0.000	1	58.1722	0.000	1	58.1722	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCCH)	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]2C)	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCCH){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(H){1|O<2>,2|C<4>}	O[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]2C){1|O<2>,2|C<4>,2|H<1>}	58.6941	0.000	1	58.6941	0.000	1	58.6941	0.000	1	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:C-4:	C[5,6,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]O)(O[3]C[3,5])(CH3)	C[3,5](C[5,6,6]C[5,6]C[6,6]C[6])(C[3,5]C[5,6]O[3]C)(O[3]C[3,5])(H)	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]C)	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]O)(O[3]C[3,5])(CH3){1|C<3>,2|C<4>,4|H<1>}	C[3,5](C[5,6,6]C[5,6]C[6,6]C[6])(C[3,5]C[5,6]O[3]C)(O[3]C[3,5])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]C){1|O<2>,4|C<4>}	57.9465	0.000	1	57.9465	0.000	1	57.9465	0.000	1	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	C[3,5](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6]2)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6]2)(O[3]C[3,5])(H){1|O<1>,2|C<4>,6|H<1>}	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	57.9463	0.000	1	57.9463	0.000	1	57.9463	0.000	1	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	59.7689	0.000	1	59.7689	0.000	1	59.4893	0.431	13	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(CCHH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(CCHH){1|C<4>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	59.5844	0.000	1	59.5844	0.000	1	59.4893	0.431	13	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HN)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|N<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HN)(O[3]C[3,5])(H){4|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	59.2810	0.248	4	59.2810	0.062	4	59.4893	0.431	13	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|S<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|N<3>,2|C<4>,2|H<1>}	59.4269	0.295	3	59.4269	0.087	3	59.4893	0.431	13	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3){1|S<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]HH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	59.8297	0.000	1	59.8297	0.000	1	59.4893	0.431	13	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|S<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|S<4>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	59.6078	0.000	1	59.6078	0.000	1	59.4893	0.431	13	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HH)(O[3]C[3,5])(CH3){1|C<3>,1|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){2|C<3>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|O<2>,3|H<1>}	59.5827	2.097	2	59.5827	4.398	2	59.4893	0.431	13	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[5,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5]C[3x5]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5,5]O[3]C)(C[5,5]C[3x5]O[5]H)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H)	C[3,5](C[5,5]C[3x5]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,3|C<4>,3|O<2>}	C[3,5](C[3,5]C[5,5]O[3]C)(C[5,5]C[3x5]O[5]H)(O[3]C[3,5])(H){1|H<1>,4|C<4>}	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H){1|O<2>,2|C<4>,2|H<1>}	59.3553	0.000	1	59.3553	0.000	1	59.3553	0.000	1	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5]C[3x5,6]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3)	C[3,5](C[5,5]C[3x5,6]O[5]H)(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H)	C[3,5](C[5,5]C[3x5,6]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,3|C<4>,3|O<2>}	C[3,5](C[5,5]C[3x5,6]O[5]H)(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,4|C<4>}	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H){1|O<2>,2|C<4>,2|H<1>}	59.2383	0.000	1	59.2383	0.000	1	59.2383	0.000	1	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCHO)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCHO){1|C<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H){4|C<4>}	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	58.9020	0.000	1	58.9020	0.000	1	58.9294	0.002	2	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CC[6]CH)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CC[6]CH){2|C<4>,2|O<2>,3|H<1>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<2>,3|C<4>}	58.9568	0.000	1	58.9568	0.000	1	58.9294	0.002	2	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:P[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[3,6]C[5,6]C)(C[3,5]O[3]P[5]H)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5,6]O[3]C)(P[5]C[5,6]C[6a]W)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]P[5]H)	C[3,5](C[5,6]C[3,6]C[5,6]C)(C[3,5]O[3]P[5]H)(O[3]C[3,5])(CH3){1|C<4>,1|O<2>,1|W<6>,3|C<3>}	C[3,5](C[3,5]C[5,6]O[3]C)(P[5]C[5,6]C[6a]W)(O[3]C[3,5])(H){2|C<4>,3|C<3>}	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]P[5]H){1|W<6>,2|C<3>,2|C<4>}	58.8710	0.000	1	58.8710	0.000	1	58.8710	0.000	1	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5]C[5,5]C[6a]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5]C[5,5]C[6a]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	59.5430	0.000	1	59.5430	0.000	1	59.5430	0.000	1	59.2188	0.479	22	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(CC[5]HH)	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]2C)	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(CC[5]HH){3|H<1>}	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|O<2>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]2C){1|O<2>,2|C<4>,2|H<1>}	59.8795	0.000	1	59.8795	0.000	1	59.8795	0.000	1	59.9863	0.204	18	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(CC[5]HH)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]2C)	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|O<2>}	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(CC[5]HH){3|H<1>}	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]2C){1|O<2>,2|C<4>,2|H<1>}	59.1961	0.000	1	59.1961	0.000	1	59.1961	0.000	1	59.9863	0.204	18	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH){4|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<4>,3|H<1>}	O[3](C[3,5]C[3,5]C[5]C)2{2|C<4>,3|H<1>}	60.1063	0.347	6	60.1063	0.120	6	60.0423	0.185	16	59.9863	0.204	18	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HO)(O[3]C[3,5])(CCCH)	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH){1|O<2>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HO)(O[3]C[3,5])(CCCH){1|C<4>,3|H<1>}	O[3](C[3,5]C[3,5]C[5]C)2{1|O<2>,2|C<4>,2|H<1>}	59.6389	0.000	1	59.6389	0.000	1	60.0423	0.185	16	59.9863	0.204	18	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CO)(O[3]C[3,5])(CCHH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CO)(O[3]C[3,5])(CCHH){4|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<4>,1|O<2>,2|H<1>}	O[3](C[3,5]C[3,5]C[5]C)2{1|O<2>,2|C<4>,2|H<1>}	60.8882	0.000	1	60.8882	0.000	1	60.0423	0.185	16	59.9863	0.204	18	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH)	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<4>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH){4|H<1>}	O[3](C[3,5]C[3,5]C[5]C)2{2|C<4>,3|H<1>}	59.9806	0.450	6	59.9806	0.203	6	60.0423	0.185	16	59.9863	0.204	18	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CO)(O[3]C[3,5])(CCHH)	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<4>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CO)(O[3]C[3,5])(CCHH){4|H<1>}	O[3](C[3,5]C[3,5]C[5]C)2{1|O<2>,2|C<4>,2|H<1>}	59.5556	0.000	1	59.5556	0.000	1	60.0423	0.185	16	59.9863	0.204	18	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HO)(O[3]C[3,5])(CCCH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH)	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HO)(O[3]C[3,5])(CCCH){1|C<4>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH){1|O<2>,3|H<1>}	O[3](C[3,5]C[3,5]C[5]C)2{1|O<2>,2|C<4>,2|H<1>}	60.0727	0.000	1	60.0727	0.000	1	60.0423	0.185	16	59.9863	0.204	18	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:4:2:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CCCH){2|C<4>,2|O<2>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CO)(O[3]C[3,5]){2|C<4>,4|H<1>}	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C){2|O<2>,3|C<4>,3|H<1>}	58.9792	0.018	2	58.9792	0.000	2	59.4727	0.731	3	59.4553	0.366	5	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:4:2:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|O<2>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CH)(O[3]C[3,5]){1|C<4>,5|H<1>}	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C){1|O<2>,3|C<4>,4|H<1>}	60.4597	0.000	1	60.4597	0.000	1	59.4727	0.731	3	59.4553	0.366	5	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:2:4:	4:4:4:2:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]CH)(O[3]C[3,5])	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|O<2>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]CH)(O[3]C[3,5]){1|C<3>,2|C<4>,5|H<1>}	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]C){1|O<2>,3|C<4>,4|H<1>}	59.4291	0.005	2	59.4291	0.000	2	59.4291	0.000	2	59.4553	0.366	5	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:3:2:	4:3:2:1:	4:4:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[5,6a]-3:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5])	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H)	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5]){2|H<1>,6|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6a]C[5,6a]C[6a])(O[3]C[3,5])(H){1|H<1>,6|C<3>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[5,6a]C[3,5]H){6|C<3>}	60.2858	0.000	1	60.2858	0.000	1	60.2858	0.000	1	60.2858	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:3:2:	4:4:2:1:	4:4:	C[3,5]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5])	C[3,5](C[5,6]C[4,5,6,6]C[5,6]H)(C[3,5]C[5,6]C[6a]O[3])(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5]C[5,6]H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5]){2|C<3>,3|C<4>,6|H<1>}	C[3,5](C[5,6]C[4,5,6,6]C[5,6]H)(C[3,5]C[5,6]C[6a]O[3])(O[3]C[3,5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[3](C[3,5]C[3,5]C[5,6]C[6a])(C[3,5]C[3,5]C[5,6]H){2|C<3>,2|H<1>,3|C<4>}	59.0362	0.000	1	59.0362	0.000	1	59.0362	0.000	1	59.8490	1.321	2	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:3:2:	4:4:2:1:	4:4:	C[5,6]-4:C[3,5]-4:N[5a]-3:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5])	C[3,5](C[3,5]C[5,6]N[5a]O[3])(C[5]C[5,6]HH)(O[3]C[3,5])(H)	O[3](C[3,5]C[3,5]C[5,6]N[5a])(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5]){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[3,5](C[3,5]C[5,6]N[5a]O[3])(C[5]C[5,6]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>,3|C<4>}	O[3](C[3,5]C[3,5]C[5,6]N[5a])(C[3,5]C[3,5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	60.6617	0.000	1	60.6617	0.000	1	60.6617	0.000	1	59.8490	1.321	2	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:3:2:	4:4:2:3:	4:4:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:C-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5])	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]O[5]CO)(O[3]C[3,5])(CNO)	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]O[5]CO)(O[3]C[3,5])(CNO){1|O<2>,3|C<3>}	O[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]C){1|C<4>,3|C<3>,3|O<2>}	58.9667	0.000	1	58.9667	0.000	1	58.9667	0.000	1	58.9667	0.000	1	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:4:2:	4:4:2:4:	4:4:	C[3,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CH)(O[3]C[3,5]){1|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|O<2>,2|C<4>,4|H<1>}	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C){1|O<2>,3|C<4>,4|H<1>}	59.0289	0.000	1	59.0289	0.000	1	59.9203	0.603	3	59.9962	0.263	6	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:4:2:	4:4:2:4:	4:4:	C[3,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CO)(O[3]C[3,5]){2|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CCCH){2|C<4>,2|O<2>,3|H<1>}	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C){2|O<2>,3|C<4>,3|H<1>}	60.3660	0.120	2	60.3660	0.014	2	59.9203	0.603	3	59.9962	0.263	6	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3,5]	O[3]	4:4:4:2:	4:4:2:4:	4:4:	C[3,5]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]CH)(O[3]C[3,5])	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3)	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]CH)(O[3]C[3,5]){1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|O<2>,2|C<4>,4|H<1>}	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]C){1|O<2>,3|C<4>,4|H<1>}	60.0721	0.193	3	60.0721	0.037	3	60.0721	0.037	3	59.9962	0.263	6	59.7268	0.542	252	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	3:4:3:2:	4:2:1:1:	4:4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(H)2	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(H)2{1|N<3>,1|O<1>,2|C<3>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>}	59.2709	0.000	1	59.2709	0.000	1	59.2709	0.000	1	59.2709	0.000	1	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	3:4:3:2:	4:2:3:1:	4:4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<3>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	59.4967	0.000	1	59.1860	0.193	2	58.6959	0.152	8	58.6959	0.152	8	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	3:4:3:2:	4:2:3:1:	4:4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<3>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	58.8753	0.000	1	59.1860	0.193	2	58.6959	0.152	8	58.6959	0.152	8	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	3:4:3:2:	4:2:3:1:	4:4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CNO)(H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CNO)(H){1|N<3>,1|O<1>,2|C<3>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	58.4936	0.214	5	58.4936	0.046	5	58.6959	0.152	8	58.6959	0.152	8	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	3:4:3:2:	4:2:3:1:	4:4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-3:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(COO)(H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(COO)(H){1|N<3>,1|O<1>,2|C<3>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	58.7270	0.000	1	58.7270	0.000	1	58.6959	0.152	8	58.6959	0.152	8	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	3:4:3:2:	4:3:2:1:	4:4:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,4|C<3>}	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H){1|N<3>,1|O<1>,4|C<3>}	58.7314	0.000	1	58.7314	0.000	1	58.7314	0.000	1	58.7314	0.000	1	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:3:2:2:	4:2:4:1:	4:4:	C[3]-4:C[5]-3:O[3]-2:O[5]-2:	C[3,5]-4:O[3]-2:C-4:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5])	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H)	O[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]CH)	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5]){1|H<1>,1|O<1>}	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H){1|H<1>,2|C<3>}	O[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]CH){1|H<1>,2|C<3>}	61.0696	0.000	1	61.0696	0.000	1	61.0696	0.000	1	61.0696	0.000	1	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:3:3:2:	4:3:2:1:	4:4:	C[3]-4:C[5]-3:C[5]-3:O[3]-2:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[3,5]-4:	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	O[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3]){3|C<3>}	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	58.2615	0.424	3	58.2615	0.180	3	58.2615	0.180	3	58.2615	0.180	3	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:2:2:	4:3:2:1:	4:4:	C[5,5]-4:C[3]-4:O[5]-2:O[3]-2:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3])	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H)	O[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]C[6a]H)	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3]){1|C<4>,1|O<2>,5|C<3>}	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]C[6a]H){1|N<3>,1|O<2>,4|C<3>}	62.2832	0.312	2	62.2832	0.098	2	62.2832	0.098	2	62.2832	0.098	2	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:3:2:	4:2:4:4:	4:4:	C[3]-4:C[5]-4:C[5]-3:O[3]-2:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3,5]-4:C[3]-4:	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3]){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,2|H<1>}	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){1|C<4>,2|C<3>,2|H<1>}	59.3000	0.203	5	59.3000	0.041	5	59.3000	0.041	5	59.3000	0.041	5	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[3,5]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5]C[3,5]C[5,6]O[3])(O[3]C[3,5])(H)2	O[3](C[3,5]C[3,5]C[5,6]C[3])(C[3]C[3,5]HH)	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(O[3]C[3]){2|C<4>,2|H<1>,2|O<2>}	C[3](C[3,5]C[3,5]C[5,6]O[3])(O[3]C[3,5])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[3](C[3,5]C[3,5]C[5,6]C[3])(C[3]C[3,5]HH){1|H<1>,1|O<2>,4|C<4>}	59.8201	0.000	1	59.8201	0.000	1	59.8201	0.000	1	59.9194	0.041	6	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5,5,6]C[5,3x6]C[5,6]C[5])(C[5,6]C[5,6,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5]C[5,5,6]C[5,6]O[3])(O[3]C[3,5])(H)2	O[3](C[3,5]C[5,5,6]C[5,6]C[3])(C[3]C[3,5]HH)	C[3,5](C[5,5,6]C[5,3x6]C[5,6]C[5])(C[5,6]C[5,6,6]C[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[3](C[3,5]C[5,5,6]C[5,6]O[3])(O[3]C[3,5])(H)2{1|H<1>,2|C<3>,3|C<4>}	O[3](C[3,5]C[5,5,6]C[5,6]C[3])(C[3]C[3,5]HH){1|H<1>,2|C<3>,3|C<4>}	60.1787	0.025	2	60.1787	0.001	2	60.1787	0.001	2	59.9194	0.041	6	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[5,6]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(C[5]C[5]HH)(O[3]C[3])	C[3](C[3,5]C[5,6]C[5]O[3])(O[3]C[3,5])(H)2	O[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(C[5]C[5]HH)(O[3]C[3]){2|C<4>,5|H<1>}	C[3](C[3,5]C[5,6]C[5]O[3])(O[3]C[3,5])(H)2{2|H<1>,4|C<4>}	O[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH){2|H<1>,4|C<4>}	59.8162	0.000	1	59.8162	0.000	1	59.8162	0.000	1	59.9194	0.041	6	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[5,6]-4:C[5]-4:C[3]-4:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5]C[5,6]C[5]O[3])(O[3]C[3,5])(H)2	O[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH)	C[3,5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(C[3]O[3]HH)(O[3]C[3]){2|O<2>,3|C<4>}	C[3](C[3,5]C[5,6]C[5]O[3])(O[3]C[3,5])(H)2{1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH){1|O<2>,2|H<1>,3|C<4>}	59.7484	0.000	1	59.7484	0.000	1	59.7484	0.000	1	59.9194	0.041	6	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[5]-4:C[5]-4:C[3]-4:O[3]-2:	C[3,5]-4:O[3]-2:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(H)2	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)	C[3,5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(C[3]O[3]HH)(O[3]C[3]){2|C<3>}	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(H)2{1|H<1>,2|C<3>,3|C<4>}	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH){1|H<1>,2|C<3>,3|C<4>}	59.7743	0.000	1	59.7743	0.000	1	59.7743	0.000	1	59.9194	0.041	6	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[5,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:C-4:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3])	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H)	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H){1|H<1>,1|O<2>,4|C<4>}	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH){1|H<1>,1|O<2>,4|C<4>}	60.7217	0.000	2	60.6080	0.017	4	60.6080	0.017	4	60.6080	0.017	4	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[5,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:C-4:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3])	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H)	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3]){1|O<2>,2|C<3>,4|H<1>}	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H){1|H<1>,1|O<2>,4|C<4>}	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH){1|H<1>,1|O<2>,4|C<4>}	60.4944	0.000	2	60.6080	0.017	4	60.6080	0.017	4	60.6080	0.017	4	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:2:4:4:	4:4:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3,5]-4:C[3]-4:	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){1|C<4>,2|C<3>,3|H<1>}	59.7621	0.267	3	59.6722	0.080	4	59.6722	0.080	4	59.6722	0.080	4	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:2:4:4:	4:4:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3,5]-4:C[3]-4:	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3]){2|C<4>,2|O<2>,3|H<1>}	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){3|C<4>,3|H<1>}	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){3|C<4>,3|H<1>}	59.4024	0.000	1	59.6722	0.080	4	59.6722	0.080	4	59.6722	0.080	4	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:3:2:4:	4:4:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[3,5]-4:	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3)	O[3](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]2)	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3]){2|H<1>,4|C<3>}	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	O[3](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]2){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	60.0522	0.000	1	60.0522	0.000	1	60.0522	0.000	1	60.0522	0.000	1	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,5]	C[3]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3,5]-4:C[3]-4:	C[3,5](C[3]C[5]O[3]H)(C[5]C[5,5]CH)(C[5]C[5,5]HH)(O[3]C[3])	C[3](C[3,5]C[5]2O[3])(C[5]C[5]2O)(O[3]C[3,5])(H)	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[5]H)	C[3,5](C[3]C[5]O[3]H)(C[5]C[5,5]CH)(C[5]C[5,5]HH)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3](C[3,5]C[5]2O[3])(C[5]C[5]2O)(O[3]C[3,5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[5]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	58.9651	0.000	1	58.9651	0.000	1	58.9651	0.000	1	58.9651	0.000	1	59.5715	1.035	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,3x6]	O[3]	4:4:2:1:	4:4:3:2:	4:4:	C[3,3x6]-4:C[3x6]-4:O[3]-2:H-1:	C[5,4x6]-4:C[3,6,6]-4:C[6]-3:O[3]-2:	C[3,3x6]-4:C[3,6,6]-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)	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6])	O[3](C[3,3x6]C[3,6,6]C[5,4x6]C[6])(C[3,6,6]C[3,3x6]C[3x6]H)	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>}	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[3](C[3,3x6]C[3,6,6]C[5,4x6]C[6])(C[3,6,6]C[3,3x6]C[3x6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	59.7384	0.558	2	59.7384	0.311	2	59.7384	0.311	2	59.7384	0.311	2	59.7384	0.311	2	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,5,6]	O[3]	4:4:4:2:	4:4:2:4:	4:4:	C[3,5,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[5]-4:	C[3,5,6]-4:C[3,6,6]-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])	C[3,5,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(O[3]C[3,6,6])(C[5]C[5]HH)	O[3](C[3,5,6]C[3,6,6]C[5,6]C[5])(C[3,6,6]C[3,5,6]C[6,6]C[6])	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>}	C[3,5,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(O[3]C[3,6,6])(C[5]C[5]HH){1|O<2>,4|C<4>,7|H<1>}	O[3](C[3,5,6]C[3,6,6]C[5,6]C[5])(C[3,6,6]C[3,5,6]C[6,6]C[6]){1|O<2>,4|H<1>,7|C<4>}	59.4574	0.000	1	59.4574	0.000	1	59.4574	0.000	1	59.4574	0.000	1	59.4574	0.000	1	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:2:3:3:	4:4:2:3:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-3:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:C[3,6,6]-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]O)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)	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]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]O)2{1|C<3>,1|O<1>,2|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)(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>}	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2){2|C<3>,3|O<1>,4|C<4>}	58.4435	0.000	1	58.4435	0.000	1	58.4435	0.000	1	58.4435	0.000	1	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:2:3:4:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-4:	C[3,6,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6,6]-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)	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])	O[3](C[3,6,6]C[3,6,6]C[6]2)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){4|H<1>,5|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>}	O[3](C[3,6,6]C[3,6,6]C[6]2)2{1|N<3>,1|O<1>,4|H<1>,5|C<4>}	59.4203	0.000	1	59.4203	0.000	1	59.4203	0.000	1	59.4203	0.000	1	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:2:4:4:	4:2:4:4:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[3,6,6]-4:	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[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]C[6]HH)2	O[3](C[3,6,6]C[3,6,6]C[6]2)2	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>}	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>}	O[3](C[3,6,6]C[3,6,6]C[6]2)2{2|C<3>,2|C<4>,8|H<1>}	59.6932	0.302	2	59.6932	0.091	2	59.6932	0.091	2	59.6932	0.091	2	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:2:4:4:	4:4:2:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[4x6]-4:C[3,6,6]-4:O[3]-2:O[6]-2:	C[3,6,6]-4:C[3,6,6]-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	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])	O[3](C[3,6,6]C[3,6,6]C[4x6]O[6])(C[3,6,6]C[3,6,6]C[6]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{2|H<1>,6|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>}	O[3](C[3,6,6]C[3,6,6]C[4x6]O[6])(C[3,6,6]C[3,6,6]C[6]2){4|H<1>,6|C<4>}	58.2448	0.000	1	58.2448	0.000	1	58.2448	0.000	1	58.2448	0.000	1	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:2:4:4:	4:4:2:4:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[3,6,6]-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	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)	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]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{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>}	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2){5|C<4>,7|H<1>}	59.1855	0.000	1	59.1855	0.000	1	59.1855	0.000	1	59.1855	0.000	1	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6,6]-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	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])	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]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{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]C)(C[6]C[5,6]HH)(O[3]C[3,6,6]){2|O<2>,4|C<4>,7|H<1>}	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2){6|C<4>,6|H<1>}	59.2757	0.000	1	59.2757	0.000	1	59.2757	0.000	1	59.2757	0.000	1	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:3:2:4:	4:4:2:4:	4:4:	C[3,6,6]-4:C[6,6]-3:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[3,6,6]-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)	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)	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]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){4|C<4>,8|H<1>}	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>}	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2){1|C<3>,4|C<4>,6|H<1>}	61.1269	3.294	2	61.1269	10.853	2	61.1269	10.853	2	61.1269	10.853	2	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6,6]-4:	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[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)	O[3](C[3,6,6]C[3,6,6]C[3x6]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){3|C<4>,4|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>}	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{2|H<1>,4|C<4>}	59.7681	0.172	2	59.7681	0.029	2	59.6303	0.144	10	59.6949	0.178	18	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6,6]-4:	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[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]O[6,6]2H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]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){1|F<1>,2|O<2>,4|H<1>}	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]O[6,6]2H)(O[3]C[3,6,6])(H){1|H<1>,2|C<4>}	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{2|C<4>,2|H<1>,2|O<2>}	59.4966	0.000	1	59.4966	0.000	1	59.6303	0.144	10	59.6949	0.178	18	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6,6]-4:	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[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)	O[3](C[3,6,6]C[3,6,6]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){1|C<4>,1|F<1>,1|O<2>,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>}	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{2|C<4>,2|H<1>,2|O<2>}	59.5160	0.462	3	59.5961	0.240	6	59.6303	0.144	10	59.6949	0.178	18	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6,6]-4:	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[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)	O[3](C[3,6,6]C[3,6,6]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){1|C<4>,1|O<2>,3|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>}	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{2|C<4>,2|H<1>,2|O<2>}	59.6762	0.606	3	59.5961	0.240	6	59.6303	0.144	10	59.6949	0.178	18	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]O[6,6]2H)(O[3]C[3,6,6])(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)	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2	C[3,6,6](C[3,6,6]C[3x6]O[3]H)(C[3x6]O[6,6]2H)(O[3]C[3,6,6])(H){1|H<1>,2|C<4>}	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>}	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{2|C<4>,2|H<1>,2|O<2>}	59.6932	0.000	1	59.6932	0.000	1	59.6303	0.144	10	59.6949	0.178	18	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[5,3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6,6]-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)	C[3,6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[5,3x6]H)(C[3,6,6]C[3,6,6]C[3x6]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){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[3,6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|N<2>,1|N<3>,2|C<4>,4|H<1>}	O[3](C[3,6,6]C[3,6,6]C[5,3x6]H)(C[3,6,6]C[3,6,6]C[3x6]H){1|H<1>,2|N<2>,3|C<4>}	60.0738	0.000	1	60.0738	0.000	1	60.0738	0.000	1	59.6949	0.178	18	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6,6]-4:	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[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)	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2	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>}	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>}	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{1|N<3>,2|H<1>,3|C<4>}	59.8104	0.000	1	59.8104	0.000	1	59.6104	0.179	6	59.6949	0.178	18	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6,6]-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)	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)	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2	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>}	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>}	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{1|N<3>,2|H<1>,3|C<4>}	60.2853	0.000	1	60.2853	0.000	1	59.6104	0.179	6	59.6949	0.178	18	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|N<3>,2|C<3>,2|H<1>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|N<3>,2|C<3>,2|H<1>}	O[3](C[3,6,6]C[3,6,6]C[3x6]H)2{2|C<3>,2|H<1>,2|N<3>}	59.3917	0.263	4	59.3917	0.069	4	59.6104	0.179	6	59.6949	0.178	18	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(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)	O[3](C[3,6,6]C[3,6,6]C[5,3x6]H)(C[3,6,6]C[3,6,6]C[3x6]H)	C[3,6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|N<2>,1|N<3>,2|C<4>,4|H<1>}	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>}	O[3](C[3,6,6]C[3,6,6]C[5,3x6]H)(C[3,6,6]C[3,6,6]C[3x6]H){1|H<1>,2|N<2>,3|C<4>}	60.4691	0.000	1	60.4691	0.000	1	60.4691	0.000	1	59.6949	0.178	18	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:2:3:	4:4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-3:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(COO)	O[3](C[3,6,6]C[3,6,6]C[3x6]C)(C[3,6,6]C[3,6,6]C[3x6]H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(COO){1|N<3>,2|C<3>,2|H<1>}	O[3](C[3,6,6]C[3,6,6]C[3x6]C)(C[3,6,6]C[3,6,6]C[3x6]H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	58.6747	0.000	1	58.6747	0.000	1	58.6747	0.000	1	58.6747	0.000	1	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[5,4x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3x6]-4:O[3]-2:C-4:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H)	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)	O[3](C[3,6,6]C[3,6,6]C[5,4x6]H)(C[3,6,6]C[3,6,6]C[3x6]C)	C[3,6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,3|H<1>,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>}	O[3](C[3,6,6]C[3,6,6]C[5,4x6]H)(C[3,6,6]C[3,6,6]C[3x6]C){1|H<1>,5|C<4>}	59.7072	0.219	3	59.7072	0.048	3	59.7072	0.048	3	59.7072	0.048	3	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:2:	4:2:4:4:	4:4:	C[4x6]-4:C[3,6,6]-4:O[3]-2:O[6]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[3,6,6]-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])	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	O[3](C[3,6,6]C[3,6,6]C[4x6]O[6])(C[3,6,6]C[3,6,6]C[6]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]){1|C<3>,1|O<2>,6|C<4>,8|H<1>}	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>}	O[3](C[3,6,6]C[3,6,6]C[4x6]O[6])(C[3,6,6]C[3,6,6]C[6]2){4|H<1>,6|C<4>}	60.5241	0.000	1	60.5241	0.000	1	60.5241	0.000	1	60.5241	0.000	1	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:3:	4:2:3:3:	4:4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-3:	C[3,6,6]-4:C[3,6,6]-4:	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[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]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){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|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]O)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2){2|C<3>,3|O<1>,4|C<4>}	59.7141	0.000	1	59.7141	0.000	1	59.7141	0.000	1	59.7141	0.000	1	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:3:	4:4:2:1:	4:4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-3:	C[3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(COO)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3x6]C)(C[3,6,6]C[3,6,6]C[3x6]H)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(COO){1|N<3>,2|C<3>,2|H<1>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[3](C[3,6,6]C[3,6,6]C[3x6]C)(C[3,6,6]C[3,6,6]C[3x6]H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	59.5282	0.000	1	59.5282	0.000	1	59.5282	0.000	1	59.5282	0.000	1	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:4:	4:2:4:4:	4:4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[3,6,6]-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)	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	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]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){4|C<4>,9|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>}	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2){5|C<4>,7|H<1>}	59.4738	0.000	1	59.4738	0.000	1	59.4738	0.000	1	59.4738	0.000	1	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:4:	4:3:2:4:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-3:O[3]-2:C[6]-4:	C[3,6,6]-4:C[3,6,6]-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)	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)	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]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){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	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>}	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2){1|C<3>,4|C<4>,6|H<1>}	58.5400	1.736	2	58.5400	3.014	2	58.5400	3.014	2	58.5400	3.014	2	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3x6]-4:O[3]-2:C-4:	C[5,4x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6,6]-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)	C[3,6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[5,4x6]H)(C[3,6,6]C[3,6,6]C[3x6]C)	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>}	C[3,6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O[3](C[3,6,6]C[3,6,6]C[5,4x6]H)(C[3,6,6]C[3,6,6]C[3x6]C){1|H<1>,5|C<4>}	59.7213	0.165	3	59.7213	0.027	3	59.7213	0.027	3	59.7213	0.027	3	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[3,6,6]-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)	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)	O[3](C[3,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,6,6]C[6,6]C[6])	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>}	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>}	O[3](C[3,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,6,6]C[6,6]C[6]){4|H<1>,8|C<4>}	57.9295	0.000	1	57.9295	0.000	1	57.9295	0.000	1	59.4393	0.424	10	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[3,6,6]-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)	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)	O[3](C[3,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,6,6]C[6,6]C[6])	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>}	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>}	O[3](C[3,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,6,6]C[6,6]C[6]){4|H<1>,8|C<4>}	60.3645	0.000	1	60.3645	0.000	1	60.3645	0.000	1	59.4393	0.424	10	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[3,6,6]-4:	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[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)	O[3](C[3,6,6]C[3,6,6]C[6]2)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){1|N<3>,2|C<4>,7|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>}	O[3](C[3,6,6]C[3,6,6]C[6]2)2{4|C<4>,8|H<1>}	59.6153	0.091	2	59.6153	0.008	2	59.4908	0.118	6	59.4393	0.424	10	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[3,6,6]-4:	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[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)	O[3](C[3,6,6]C[3,6,6]C[6]2)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){1|C<3>,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){3|C<4>,7|H<1>}	O[3](C[3,6,6]C[3,6,6]C[6]2)2{4|C<4>,8|H<1>}	59.1080	0.281	2	59.4286	0.179	4	59.4908	0.118	6	59.4393	0.424	10	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6,6]-4:C[3,6,6]-4:	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[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)	O[3](C[3,6,6]C[3,6,6]C[6]2)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){3|C<4>,7|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>}	O[3](C[3,6,6]C[3,6,6]C[6]2)2{4|C<4>,8|H<1>}	59.7492	0.213	2	59.4286	0.179	4	59.4908	0.118	6	59.4393	0.424	10	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-4:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3)	O[3](C[3,6,6]C[3,6,6]C[3x6]C)2	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3){1|N<3>,2|C<3>,2|H<1>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3){1|N<3>,2|C<3>,2|H<1>}	O[3](C[3,6,6]C[3,6,6]C[3x6]C)2{2|C<3>,2|H<1>,2|N<3>}	59.5772	0.199	2	59.5772	0.040	2	59.5772	0.040	2	59.4393	0.424	10	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:4:2:	4:2:3:4:	4:4:	C[3,6,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-4:	C[3,6,6]-4:C[3,6,6]-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])	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)	O[3](C[3,6,6]C[3,6,6]C[6]2)2	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>}	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>}	O[3](C[3,6,6]C[3,6,6]C[6]2)2{1|N<3>,1|O<1>,4|H<1>,5|C<4>}	59.5202	0.000	1	59.5202	0.000	1	59.5202	0.000	1	59.5202	0.000	1	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6,6]	O[3]	4:4:4:2:	4:2:4:4:	4:4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:C[6]-4:	C[3,6,6]-4:C[3,6,6]-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])	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	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]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]){2|O<2>,4|C<4>,7|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>}	O[3](C[3,6,6]C[3,6,6]C[6,6]C[6])(C[3,6,6]C[3,6,6]C[6]2){6|C<4>,6|H<1>}	59.5546	0.000	1	59.5546	0.000	1	59.5546	0.000	1	59.5546	0.000	1	59.5667	0.658	52	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	3:4:4:2:	4:4:2:1:	4:4:	C[6,6]-3:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6])	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)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6]){1|C<3>,3|C<4>,3|H<1>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	58.8081	0.148	4	58.8081	0.022	4	58.8081	0.022	4	58.8081	0.022	4	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:3:2:3:	4:4:2:3:	4:4:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6])	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	60.4391	0.000	1	60.3673	0.070	3	60.3673	0.070	3	60.3673	0.070	3	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:3:2:3:	4:4:2:3:	4:4:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6])	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	60.3315	0.364	2	60.3673	0.070	3	60.3673	0.070	3	60.3673	0.070	3	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:3:4:2:	4:2:4:1:	4:4:	C[3,6]-4:C[3x6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6,6]-4:C[3,6]-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])	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)	O[3](C[3,6,6]C[3,6]C[3x6]C[6])(C[3,6]C[3,6,6]C[6]H)	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>}	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>}	O[3](C[3,6,6]C[3,6]C[3x6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	59.8154	0.000	1	59.8154	0.000	1	59.8154	0.000	1	59.8154	0.000	1	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:3:4:2:	4:4:2:1:	4:4:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	59.0638	0.000	1	59.0638	0.000	1	59.4917	0.143	3	59.4681	0.097	4	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:3:4:2:	4:4:2:1:	4:4:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	59.7056	0.102	2	59.7056	0.010	2	59.4917	0.143	3	59.4681	0.097	4	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:3:4:2:	4:4:2:1:	4:4:	C[5,6]-4:C[6,6]-3:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	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)	O[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,3|C<3>,4|C<4>,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>}	O[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,2|H<1>,5|C<4>}	59.3973	0.000	1	59.3973	0.000	1	59.3973	0.000	1	59.4681	0.097	4	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:2:3:	4:2:3:1:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:	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[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]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){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	58.6476	0.254	2	58.7517	0.065	3	58.7517	0.065	3	58.7517	0.065	3	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:2:3:	4:2:3:1:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:	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[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]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){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	58.9599	0.000	1	58.7517	0.065	3	58.7517	0.065	3	58.7517	0.065	3	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:2:3:	4:2:3:4:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6,6]-4:C[3,6]-4:	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[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)	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>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C){2|O<1>,5|C<4>}	60.1096	0.000	1	60.1096	0.000	1	60.1096	0.000	1	60.1096	0.000	1	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:3:2:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3,6]-4:C[6]-3:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])	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)	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6]){1|O<2>,3|H<1>,5|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>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	59.1468	0.000	1	59.1468	0.000	1	59.1468	0.000	1	59.1468	0.000	1	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[3,6]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	O[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)	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>}	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){2|H<1>,2|O<2>,4|C<4>}	O[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,2|O<2>,5|C<4>}	59.8431	0.000	1	59.8431	0.000	1	59.8431	0.000	1	59.2114	0.452	17	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	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>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	59.9458	0.000	1	59.9458	0.000	1	59.9458	0.000	1	59.2114	0.452	17	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]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]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	58.7331	0.000	1	58.6252	0.048	9	58.6252	0.048	9	59.2114	0.452	17	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]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]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,6|C<4>}	58.5208	0.209	5	58.6252	0.048	9	58.6252	0.048	9	59.2114	0.452	17	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]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]){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,6|C<4>}	58.7577	0.000	1	58.6252	0.048	9	58.6252	0.048	9	59.2114	0.452	17	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]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]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	58.7660	0.293	2	58.6252	0.048	9	58.6252	0.048	9	59.2114	0.452	17	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]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]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H){2|H<1>,2|O<2>,4|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	59.7797	0.000	1	59.7797	0.000	1	59.6170	0.053	2	59.2114	0.452	17	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]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]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H){2|C<3>,2|H<1>,3|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	59.4544	0.000	1	59.4544	0.000	1	59.6170	0.053	2	59.2114	0.452	17	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]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]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H){3|C<3>,5|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){3|C<3>,5|C<4>}	59.9861	0.108	4	59.9861	0.012	4	59.9861	0.012	4	59.2114	0.452	17	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6,6]-4:C[3,6]-4:	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[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]N[6]HH)(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	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>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]N[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	60.0545	0.000	1	60.0545	0.000	1	60.0545	0.000	1	59.3651	1.072	3	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[3,6]-4:C[6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6,6]-4:C[3,6]-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])	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)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]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]){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	59.8661	0.000	1	59.8661	0.000	1	59.8661	0.000	1	59.3651	1.072	3	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]HO)(H)	O[3](C[3,6,6]C[5,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)	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>}	C[3,6](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]HO)(H){1|C<3>,1|H<1>,5|C<4>}	O[3](C[3,6,6]C[5,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[6]H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	58.1746	0.000	1	58.1746	0.000	1	58.1746	0.000	1	59.3651	1.072	3	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:2:4:4:	4:4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C[6]-4:C-4:	C[3,6,6]-4:C[3,6]-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])	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)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)	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>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C){1|O<2>,3|H<1>,5|C<4>}	58.6579	0.000	1	58.6579	0.000	1	58.6579	0.000	1	58.6579	0.000	1	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:3:2:1:	4:4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]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]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	59.6597	0.000	1	59.6597	0.000	1	59.6597	0.000	1	59.4432	0.094	2	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:3:2:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[3,5,6]C[5])(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	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>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[3,5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	59.2268	0.000	1	59.2268	0.000	1	59.2268	0.000	1	59.4432	0.094	2	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	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)	O[3](C[3,6,6]C[3,6,6]C[3,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,5|C<4>,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>}	O[3](C[3,6,6]C[3,6,6]C[3,6]2)(C[3,6]C[3,6,6]C[6]H){2|H<1>,2|O<2>,5|C<4>}	59.4526	0.000	1	59.4526	0.000	1	59.4526	0.000	1	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]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]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|O<2>,6|C<4>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|H<1>,2|O<2>,6|C<4>}	59.8920	0.000	1	59.8920	0.000	1	59.4112	0.183	3	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]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]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|O<2>,6|C<4>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|H<1>,2|O<2>,6|C<4>}	59.0728	0.000	1	59.0728	0.000	1	59.4112	0.183	3	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]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]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,5|C<4>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	59.2689	0.000	1	59.2689	0.000	1	59.4112	0.183	3	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	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)	O[3](C[3,6,6]C[3,6,6]C[3,6]C[5,6])(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|S<3>,2|O<2>,5|C<4>,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>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[5,6])(C[3,6]C[3,6,6]C[6]H){2|H<1>,2|O<2>,5|C<4>}	59.6307	0.000	1	59.6307	0.000	1	59.6307	0.000	1	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	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)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[3x6]H)	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>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[3x6]H){3|H<1>,6|C<4>}	59.2360	0.000	1	59.2360	0.000	1	59.2360	0.000	1	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[5,6,6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6,6]-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])	C[3,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(H)	O[3](C[3,6]C[3,6,6]C[5,6,6]H)(C[3,6,6]C[3,6]C[6,6]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]){1|C<3>,5|H<1>,7|C<4>}	C[3,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(H){2|O<2>,3|H<1>,6|C<4>}	O[3](C[3,6]C[3,6,6]C[5,6,6]H)(C[3,6,6]C[3,6]C[6,6]2){3|H<1>,6|C<4>}	59.2968	0.263	2	59.2968	0.069	2	59.2968	0.069	2	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]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]){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|C<3>,4|C<4>,4|H<1>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|O<2>,4|C<4>,4|H<1>}	58.6177	0.000	1	58.6177	0.000	1	58.6177	0.000	1	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	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)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6,6]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]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6,6]H){1|C<3>,3|H<1>,5|C<4>}	59.2253	0.348	2	59.2253	0.121	2	59.2253	0.121	2	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]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]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){1|O<2>,3|H<1>,4|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<2>,3|H<1>,5|C<4>}	59.3500	0.000	1	59.3500	0.000	1	59.3050	0.343	8	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]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]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){2|H<1>,2|O<2>,4|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){2|O<2>,3|H<1>,4|C<4>}	59.5595	0.000	1	59.5595	0.000	1	59.3050	0.343	8	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	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)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]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]C[6]HH)(O[3]C[3,6]){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|Cl<1>,3|H<1>,5|C<4>}	58.5999	0.000	1	58.5999	0.000	1	59.3050	0.343	8	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	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)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]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]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	59.8931	0.087	2	59.2724	0.516	4	59.3050	0.343	8	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	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)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]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]C[6]HH)(O[3]C[3,6]){1|O<2>,3|C<4>,6|H<1>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){4|H<1>,5|C<4>}	58.6517	0.017	2	59.2724	0.516	4	59.3050	0.343	8	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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]HO)(O[3]C[3,6])	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)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]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]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	59.8406	0.000	1	59.8406	0.000	1	59.3050	0.343	8	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(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>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){2|C<3>,6|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){2|C<3>,2|H<1>,5|C<4>}	59.8500	0.173	2	59.8500	0.030	2	59.4659	0.223	7	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]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]){1|O<1>,5|H<1>,6|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,6|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	59.5583	0.000	1	59.2229	0.246	4	59.4659	0.223	7	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]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]){2|C<3>,3|C<4>,6|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|H<1>,3|C<3>,4|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){2|C<3>,3|H<1>,4|C<4>}	59.4105	0.225	2	59.2229	0.246	4	59.4659	0.223	7	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]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]){5|C<4>,8|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,6|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){3|H<1>,6|C<4>}	58.5125	0.000	1	59.2229	0.246	4	59.4659	0.223	7	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-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])	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]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]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|H<1>,3|C<3>,4|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){2|C<3>,3|H<1>,4|C<4>}	59.6691	0.000	1	59.6691	0.000	1	59.4659	0.223	7	59.3429	0.204	26	59.3134	0.341	66	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3]	O[3]	3:4:4:2:	4:2:1:1:	4:4:	C[6,6]-3:C[3x6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3]-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])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	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>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	59.7642	0.599	2	59.7642	0.359	2	59.7642	0.359	2	59.7642	0.359	2	59.7828	0.075	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3]	O[3]	4:3:4:2:	4:2:1:1:	4:4:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3]-4:	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[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	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>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	59.6269	0.244	3	59.6269	0.060	3	59.8054	0.056	9	59.8054	0.056	9	59.7828	0.075	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3]	O[3]	4:3:4:2:	4:2:1:1:	4:4:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3]-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])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	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>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	59.7458	0.050	3	59.7458	0.003	3	59.8054	0.056	9	59.8054	0.056	9	59.7828	0.075	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3]	O[3]	4:3:4:2:	4:2:1:1:	4:4:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3]-4:	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[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	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>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|N<3>,1|O<1>,3|C<4>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|N<3>,1|O<1>,3|C<4>}	60.0913	0.000	1	59.9809	0.024	2	59.8054	0.056	9	59.8054	0.056	9	59.7828	0.075	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3]	O[3]	4:3:4:2:	4:2:1:1:	4:4:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3]-4:	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[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	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<4>,1|H<1>,1|O<2>,2|C<3>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	59.8705	0.000	1	59.9809	0.024	2	59.8054	0.056	9	59.8054	0.056	9	59.7828	0.075	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3]	O[3]	4:3:4:2:	4:2:1:1:	4:4:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3]-4:	C[3,6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3,6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	60.1688	0.000	1	60.1688	0.000	1	59.8054	0.056	9	59.8054	0.056	9	59.7828	0.075	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[6,6]-4:C[3x6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3]-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])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	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>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	59.9978	0.000	1	59.9978	0.000	1	59.9978	0.000	1	59.9978	0.000	1	59.7828	0.075	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[3x6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C-4:H-1:	C[3,6,6]-4:C[3]-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])	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]CH)	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>}	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]CH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	59.5644	0.302	2	59.5644	0.091	2	59.5644	0.091	2	59.6555	0.070	3	59.7828	0.075	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6,6]	C[3]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[5,6,6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:O[3]-2:C-4:H-1:	C[3,6,6]-4:C[3]-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])	C[3](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	O[3](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]CH)	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>}	C[3](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[3](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]CH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	59.8378	0.000	1	59.8378	0.000	1	59.8378	0.000	1	59.6555	0.070	3	59.7828	0.075	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,3x6]	O[3]	4:3:2:1:	4:4:4:2:	4:4:	C[3,3x6]-4:C[6,6a]-3:O[3]-2:H-1:	C[5,4x6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,3x6]-4:C[3,6]-4:	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H)	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])	O[3](C[3,3x6]C[5,4x6]C[3,6]C[6,6])(C[3,6]C[3,3x6]C[6,6a]H)	C[3,6](C[3,3x6]C[5,4x6]C[6,6]O[3])(C[6,6a]C[6,6a]C[6a])(O[3]C[3,3x6])(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	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>}	O[3](C[3,3x6]C[5,4x6]C[3,6]C[6,6])(C[3,6]C[3,3x6]C[6,6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	58.1434	0.000	1	58.1434	0.000	1	58.1434	0.000	1	58.1434	0.000	1	58.1434	0.000	1	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,4,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,4,6]-4:O[3]-2:C[6]-4:H-1:	C[4,6]-4:C[4,6]-4:C[3,6]-4:O[3]-2:	C[3,4,6]-4:C[3,6]-4:	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[3,4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	O[3](C[3,4,6]C[3,6]C[4,6]2)(C[3,6]C[3,4,6]C[6]H)	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>}	C[3,4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,3|C<4>,4|H<1>}	O[3](C[3,4,6]C[3,6]C[4,6]2)(C[3,6]C[3,4,6]C[6]H){1|O<2>,3|C<4>,4|H<1>}	58.7148	0.000	1	58.7148	0.000	1	58.7148	0.000	1	58.7148	0.000	1	58.7148	0.000	1	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,5,6,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,5,6,6]-4:O[3]-2:C[6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[3,6]-4:O[3]-2:	C[3,5,6,6]-4:C[3,6]-4:	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[3,5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	O[3](C[3,5,6,6]C[5,5,6]C[5,6,6]C[3,6])(C[3,6]C[3,5,6,6]C[6]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){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[3,5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,6|H<1>,7|C<4>}	O[3](C[3,5,6,6]C[5,5,6]C[5,6,6]C[3,6])(C[3,6]C[3,5,6,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	58.5492	0.070	3	58.5492	0.005	3	58.5492	0.005	3	58.5492	0.005	3	58.5492	0.005	3	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[3,6]-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]O)(H)	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6])	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6]){2|C<4>,2|O<1>,3|H<1>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	59.8946	0.000	1	59.8946	0.000	1	59.8946	0.000	1	59.5005	0.107	4	59.1602	0.519	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[6]-3:H-1:	C[4,5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[3,6]-4:	C[3,6](C[3,5,6]C[4,5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H)	C[3,5,6](C[4,5,6]C[4,5,6]C[6]O[4])(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6])	O[3](C[3,5,6]C[4,5,6]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H)	C[3,6](C[3,5,6]C[4,5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,5,6](C[4,5,6]C[4,5,6]C[6]O[4])(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O[3](C[3,5,6]C[4,5,6]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	59.3691	0.238	3	59.3691	0.057	3	59.3691	0.057	3	59.5005	0.107	4	59.1602	0.519	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[3]	4:2:4:1:	4:4:3:2:	4:4:	C[3,5,6]-4:O[3]-2:C[6]-4:H-1:	C[5,6]-4:C[3,6]-4:C[5]-3:O[3]-2:	C[3,5,6]-4:C[3,6]-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]CH)(H)	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6])	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)	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>}	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6]){1|N<3>,4|C<4>,4|H<1>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|O<1>,2|H<1>,5|C<4>}	59.5262	0.000	1	59.5262	0.000	1	59.5262	0.000	1	59.5262	0.000	1	59.1602	0.519	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[6]-4:H-1:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[3,6]-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]HH)(H)	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6])	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)	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>}	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|N<3>,3|C<4>,5|H<1>}	58.8757	0.055	2	58.8757	0.003	2	58.8757	0.003	2	58.8757	0.003	2	59.1602	0.519	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:C[6]-4:C-4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[3,6]-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)	C[3,5,6](C[3,6]C[6]O[3]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(O[3]C[3,6])	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C)	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>}	C[3,5,6](C[3,6]C[6]O[3]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(O[3]C[3,6]){1|O<2>,2|C<4>,6|H<1>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C){2|H<1>,2|O<2>,5|C<4>}	58.9010	0.028	2	58.9010	0.001	2	58.9010	0.001	2	58.9010	0.001	2	59.1602	0.519	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[3]	4:4:2:1:	4:3:2:2:	4:4:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-3:O[3]-2:O[5]-2:	C[3,5,6]-4:C[3,6]-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)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5])	O[3](C[3,5,6]C[3,6]C[5,6]O[5])(C[3,6]C[3,5,6]C[6,6]H)	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>}	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,5,6]C[3,6]C[5,6]O[5])(C[3,6]C[3,5,6]C[6,6]H){1|H<1>,2|C<3>,3|C<4>}	57.2661	0.000	1	57.2661	0.000	1	57.2661	0.000	1	57.2661	0.000	1	59.1602	0.519	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:2:3:	4:4:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:C[5]-3:	C[3,5,6]-4:C[3,6]-4:	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[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C)	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6,6]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){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C){1|O<2>,3|C<4>,3|H<1>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6,6]H){1|C<3>,2|O<2>,5|C<4>}	59.3602	0.000	1	59.3602	0.000	1	59.3602	0.000	1	59.3602	0.000	1	59.1602	0.519	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[3,6]-4:	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(O[3]C[3,5,6])(H)	C[3,5,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5]CO)(O[3]C[3,6])	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[5,6]H)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(O[3]C[3,5,6])(H){1|O<2>,3|H<1>,5|C<4>}	C[3,5,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5]CO)(O[3]C[3,6]){1|O<2>,4|C<4>,4|H<1>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[5,6]H){1|H<1>,2|O<2>,6|C<4>}	59.7614	0.000	1	59.7614	0.000	1	59.7614	0.000	1	60.0076	0.121	2	59.1602	0.519	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[3,6]-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)	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6])	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H)	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>}	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	60.2538	0.000	1	60.2538	0.000	1	60.2538	0.000	1	60.0076	0.121	2	59.1602	0.519	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[3]	4:4:2:4:	4:4:4:2:	4:4:	C[3,5,6]-4:C[6,6]-4:O[3]-2:C-4:	C[5,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[3,5,6]-4:C[3,6]-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)	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6])	O[3](C[3,5,6]C[5,6,6]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6]C)	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>}	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	O[3](C[3,5,6]C[5,6,6]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6]C){2|H<1>,2|O<2>,5|C<4>}	58.2639	0.000	1	58.2639	0.000	1	58.2639	0.000	1	58.8396	0.663	2	59.1602	0.519	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,5,6]	O[3]	4:4:2:4:	4:4:4:2:	4:4:	C[3,5,6]-4:C[6]-4:O[3]-2:C-4:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[3,5,6]-4:C[3,6]-4:	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO)	C[3,5,6](C[5,6]C[3,6]C[5]H)(C[3,6]C[6]O[3]C)(C[5]C[5]CC)(O[3]C[3,6])	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO){1|O<2>,2|H<1>,5|C<4>}	C[3,5,6](C[5,6]C[3,6]C[5]H)(C[3,6]C[6]O[3]C)(C[5]C[5]CC)(O[3]C[3,6]){1|O<2>,4|C<4>,4|H<1>}	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C){2|H<1>,7|C<4>}	59.4153	0.000	1	59.4153	0.000	1	59.4153	0.000	1	58.8396	0.663	2	59.1602	0.519	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:3:1:	4:4:2:3:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(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)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	60.5278	0.197	3	60.3743	0.120	4	60.3743	0.120	4	60.3743	0.120	4	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:3:1:	4:4:2:3:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(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)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	59.9138	0.000	1	60.3743	0.120	4	60.3743	0.120	4	60.3743	0.120	4	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	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])	O[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){2|H<1>,2|O<2>,4|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>}	O[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,2|O<2>,5|C<4>}	59.2889	0.000	1	59.2889	0.000	1	59.2889	0.000	1	59.6360	0.122	17	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-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]O)(H)	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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	59.1100	0.000	1	59.1100	0.000	1	59.1100	0.000	1	59.6360	0.122	17	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(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])	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,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|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	60.0488	0.000	1	59.8682	0.093	9	59.8682	0.093	9	59.6360	0.122	17	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(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])	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,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<2>,2|O<1>,3|C<4>,4|H<1>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<1>,1|O<2>,5|C<4>}	59.9652	0.084	2	59.8682	0.093	9	59.8682	0.093	9	59.6360	0.122	17	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(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])	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|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>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,6|C<4>}	59.8586	0.379	5	59.8682	0.093	9	59.8682	0.093	9	59.6360	0.122	17	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(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])	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|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>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,6|C<4>}	59.5416	0.000	1	59.8682	0.093	9	59.8682	0.093	9	59.6360	0.122	17	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H){2|H<1>,2|O<2>,4|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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	59.4376	0.000	1	59.4376	0.000	1	59.3315	0.023	2	59.6360	0.122	17	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H){2|C<3>,2|H<1>,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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	59.2254	0.000	1	59.2254	0.000	1	59.3315	0.023	2	59.6360	0.122	17	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(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])	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H){3|C<3>,5|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>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){3|C<3>,5|C<4>}	59.4843	0.095	4	59.4843	0.009	4	59.4843	0.009	4	59.6360	0.122	17	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:3:4:	4:4:2:3:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[3,6,6]-4:C[3,6]-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]O)(CH3)	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)	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C){2|O<1>,5|C<4>}	58.4706	0.000	1	58.4706	0.000	1	58.4706	0.000	1	58.4706	0.000	1	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:4:1:	4:3:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6]-4:C[3x6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	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[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])	O[3](C[3,6,6]C[3,6]C[3x6]C[6])(C[3,6]C[3,6,6]C[6]H)	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>}	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>}	O[3](C[3,6,6]C[3,6]C[3x6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	59.8748	0.000	1	59.8748	0.000	1	59.8748	0.000	1	59.8748	0.000	1	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]N[6]HH)(H)	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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]N[6]HH)(H){1|O<2>,2|C<3>,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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	58.8410	0.000	1	58.8410	0.000	1	58.8410	0.000	1	59.8330	1.689	3	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[3,6]-4:C[6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-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)	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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	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>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	59.3540	0.000	1	59.3540	0.000	1	59.3540	0.000	1	59.8330	1.689	3	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]HO)(H)	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])	O[3](C[3,6,6]C[5,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]HO)(H){1|C<3>,1|H<1>,5|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>}	O[3](C[3,6,6]C[5,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[6]H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	61.3039	0.000	1	61.3039	0.000	1	61.3039	0.000	1	59.8330	1.689	3	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-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)	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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)	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>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C){1|O<2>,3|H<1>,5|C<4>}	59.1907	0.000	1	59.1907	0.000	1	59.1907	0.000	1	59.1907	0.000	1	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:3:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	59.0472	0.000	1	59.0472	0.000	1	59.0472	0.000	1	58.9990	0.005	2	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:3:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[3,5,6]C[5])(O[3]C[3,6,6])(H)	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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[3,5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	58.9508	0.000	1	58.9508	0.000	1	58.9508	0.000	1	58.9990	0.005	2	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	3:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-3:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-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)	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	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>}	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6]){1|C<3>,3|C<4>,3|H<1>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	59.7385	0.421	4	59.7385	0.177	4	59.7385	0.177	4	59.7385	0.177	4	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:3:4:2:	4:4:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	60.4742	0.000	1	60.4742	0.000	1	59.8235	0.329	3	59.9763	0.313	4	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:3:4:2:	4:4:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	59.4982	0.154	2	59.4982	0.024	2	59.8235	0.329	3	59.9763	0.313	4	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:3:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[6,6]-3:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	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[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]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){1|C<3>,1|H<1>,5|C<4>}	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	O[3](C[3,6,6]C[3,6]C[5,6]C[6,6])(C[3,6]C[3,6,6]C[6]H){1|C<3>,2|H<1>,5|C<4>}	60.4347	0.000	1	60.4347	0.000	1	60.4347	0.000	1	59.9763	0.313	4	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:3:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:O[3]-2:	C[3,6,6]-4:C[3,6]-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)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6])(C[3,6]C[3,6,6]C[6]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){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6]){1|O<2>,3|H<1>,5|C<4>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	59.0233	0.000	1	59.0233	0.000	1	59.0233	0.000	1	59.0233	0.000	1	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H)	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|O<2>,6|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>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|H<1>,2|O<2>,6|C<4>}	59.3195	0.000	1	59.3195	0.000	1	59.6120	0.078	3	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H)	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|O<2>,6|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>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|H<1>,2|O<2>,6|C<4>}	59.6391	0.000	1	59.6391	0.000	1	59.6120	0.078	3	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H)	C[3,6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6,6])(H){1|C<3>,1|O<2>,5|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>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[6,6])(C[3,6]C[3,6,6]C[3,6]H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	59.8773	0.000	1	59.8773	0.000	1	59.6120	0.078	3	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[3x6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	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[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])	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[3x6]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){3|H<1>,3|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>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[3x6]H){3|H<1>,6|C<4>}	60.3606	0.000	1	60.3606	0.000	1	60.3606	0.000	1	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|C<3>,4|C<4>,4|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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[5,6]H){1|O<2>,4|C<4>,4|H<1>}	60.7916	0.000	1	60.7916	0.000	1	60.7916	0.000	1	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-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)	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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6,6]H)	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>}	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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6,6]H){1|C<3>,3|H<1>,5|C<4>}	60.0065	0.391	2	60.0065	0.153	2	60.0065	0.153	2	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[3,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	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[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6,6]C[3,6]2)(C[3,6]C[3,6,6]C[6]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){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[3,6]C[3]O[3])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,5|C<4>,5|H<1>}	O[3](C[3,6,6]C[3,6,6]C[3,6]2)(C[3,6]C[3,6,6]C[6]H){2|H<1>,2|O<2>,5|C<4>}	58.9835	0.000	1	58.9835	0.000	1	58.9835	0.000	1	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	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[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6,6]C[3,6]C[5,6])(C[3,6]C[3,6,6]C[6]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){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|S<3>,2|O<2>,5|C<4>,5|H<1>}	O[3](C[3,6,6]C[3,6,6]C[3,6]C[5,6])(C[3,6]C[3,6,6]C[6]H){2|H<1>,2|O<2>,5|C<4>}	59.0457	0.000	1	59.0457	0.000	1	59.0457	0.000	1	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){1|O<2>,3|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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<2>,3|H<1>,5|C<4>}	59.2479	0.000	1	59.2479	0.000	1	59.7287	0.300	8	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){2|H<1>,2|O<2>,4|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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){2|O<2>,3|H<1>,4|C<4>}	59.7478	0.000	1	59.7478	0.000	1	59.7287	0.300	8	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-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)	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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]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){3|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]C[6]HH)(O[3]C[3,6]){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|Cl<1>,3|H<1>,5|C<4>}	60.5781	0.000	1	60.5781	0.000	1	59.7287	0.300	8	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-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)	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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]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){2|C<3>,3|C<4>,3|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>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	59.2668	0.231	2	59.7371	0.323	4	59.7287	0.300	8	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-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)	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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]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){3|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]C[6]HH)(O[3]C[3,6]){1|O<2>,3|C<4>,6|H<1>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){4|H<1>,5|C<4>}	60.2074	0.176	2	59.7371	0.323	4	59.7287	0.300	8	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-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)	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])	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]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){1|O<2>,2|C<3>,2|H<1>,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]HO)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	59.3077	0.000	1	59.3077	0.000	1	59.7287	0.300	8	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H)	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){2|C<3>,6|C<4>}	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(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>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){2|C<3>,2|H<1>,5|C<4>}	58.2124	0.399	2	58.2124	0.159	2	58.7750	0.200	7	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,6|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>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	59.0089	0.000	1	59.0373	0.042	4	58.7750	0.200	7	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|C<3>,1|H<1>,6|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>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){3|H<1>,6|C<4>}	59.2674	0.000	1	59.0373	0.042	4	58.7750	0.200	7	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|H<1>,3|C<3>,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>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){2|C<3>,3|H<1>,4|C<4>}	58.9365	0.229	2	59.0373	0.042	4	58.7750	0.200	7	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H)	C[3,6](C[3,6,6]C[6,6]2O[3])(C[6]C[5,6]HH)(O[3]C[3,6,6])(H){1|H<1>,3|C<3>,4|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>}	O[3](C[3,6,6]C[3,6]C[6,6]2)(C[3,6]C[3,6,6]C[6]H){2|C<3>,3|H<1>,4|C<4>}	58.8506	0.000	1	58.8506	0.000	1	58.7750	0.200	7	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[5,6,6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:O[3]-2:	C[3,6]-4:C[3,6,6]-4:	C[3,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(H)	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])	O[3](C[3,6]C[3,6,6]C[5,6,6]H)(C[3,6,6]C[3,6]C[6,6]2)	C[3,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(H){2|O<2>,3|H<1>,6|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>}	O[3](C[3,6]C[3,6,6]C[5,6,6]H)(C[3,6,6]C[3,6]C[6,6]2){3|H<1>,6|C<4>}	59.9526	0.068	2	59.9526	0.005	2	59.9526	0.005	2	59.5073	0.462	26	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:3:	4:3:2:3:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6])	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	57.2778	0.000	1	57.3280	0.019	3	57.3280	0.019	3	57.3280	0.019	3	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6,6]	O[3]	4:4:2:3:	4:3:2:3:	4:4:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6a]-3:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6])	C[3,6](C[3,6,6]N[6,6]C[6]O[3])(C[6]C[6,6a]HO)(O[3]C[3,6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O[3](C[3,6,6]C[3,6]N[6,6]C[6])(C[3,6]C[3,6,6]C[6a]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	57.3531	0.187	2	57.3280	0.019	3	57.3280	0.019	3	57.3280	0.019	3	59.5134	0.602	67	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	3:4:2:1:	4:3:2:1:	4:4:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|O<2>,3|C<3>}	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|O<1>,2|C<3>}	58.8192	0.335	2	58.8192	0.112	2	58.8192	0.112	2	58.8192	0.112	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	3:4:2:1:	4:4:2:1:	4:4:	C[5,6]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|N<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]HO)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	58.6878	0.299	2	58.6878	0.090	2	58.6878	0.090	2	58.7756	0.051	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	3:4:2:1:	4:4:2:1:	4:4:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	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>}	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	58.9911	0.000	1	58.9911	0.000	1	58.9911	0.000	1	58.7756	0.051	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	3:4:2:1:	4:4:2:1:	4:4:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[4,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[4,6]C[4,6,6]C[4]H)(C[3,6]C[6,6a]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[4,6]H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[4,6]C[4,6,6]C[4]H)(C[3,6]C[6,6a]O[3]H)(O[3]C[3,6])(H){1|H<1>,4|C<3>}	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[4,6]H){1|C<4>,1|H<1>,3|C<3>}	58.7358	0.000	1	58.7358	0.000	1	58.7358	0.000	1	58.7756	0.051	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	3:4:2:4:	4:4:2:1:	4:4:	C[6,6]-3:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]CO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3){1|C<3>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]CO)(O[3]C[3,6])(H){1|C<3>,1|O<1>,1|O<2>}	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,2|C<3>,2|O<2>}	58.4290	0.000	1	58.4290	0.000	1	58.4290	0.000	1	58.4290	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:1:	4:3:4:2:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6a]-3:C[6]-4:O[3]-2:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(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])	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	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>}	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	60.3208	0.000	1	60.3208	0.000	1	60.3208	0.000	1	60.3208	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:1:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|O<1>,2|C<3>,2|C<4>}	58.9873	0.000	2	58.9160	0.015	3	58.9160	0.015	3	59.0219	0.140	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:1:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,4|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|O<1>,3|C<4>}	58.7734	0.000	1	58.9160	0.015	3	58.9160	0.015	3	59.0219	0.140	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:1:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<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|C<3>,1|O<2>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	58.9245	0.000	1	58.9245	0.000	1	59.2212	0.172	5	59.0219	0.140	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:1:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,1|O<1>,3|C<4>}	59.1939	0.730	2	59.1939	0.532	2	59.2212	0.172	5	59.0219	0.140	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:1:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	59.3969	0.060	2	59.3969	0.004	2	59.2212	0.172	5	59.0219	0.140	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:1:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	58.5948	0.233	2	58.5948	0.054	2	58.5948	0.054	2	59.0219	0.140	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:1:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	59.1974	0.000	1	59.1974	0.000	1	59.1974	0.000	1	59.0219	0.140	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:1:	4:4:2:4:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<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])(CH3){1|C<3>,1|O<1>,1|O<2>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	59.4421	0.000	1	59.4421	0.000	1	59.4421	0.000	1	59.4421	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:2:	4:2:3:4:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:O-2:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC)	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]O)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]O){2|C<3>,2|O<1>}	60.3175	0.403	2	60.3175	0.162	2	60.3175	0.162	2	60.3175	0.162	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:3:	4:4:2:3:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-3:	C[5,6]-4:C[3,6]-4:O[3]-2:C-3:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(COO)	C[3,6](C[5,6]C[3,5]C[5,6]C)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(COO)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[5,6]C[3,5]C[5,6]C)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(COO){1|C<3>,1|O<1>,1|O<2>,1|P<4>,2|C<4>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|C<4>}	58.6570	0.000	1	58.6570	0.000	1	58.6570	0.000	1	58.6570	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:4:	4:2:3:2:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:O[3]-2:C[6]-3:O-2:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]O)	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]O){2|C<3>,2|O<1>}	57.9665	0.037	2	57.9665	0.001	2	57.9665	0.001	2	57.9665	0.001	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:4:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|O<1>,2|C<3>,2|C<4>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	58.6718	0.000	1	58.6718	0.000	1	58.8540	0.016	5	58.9887	0.160	9	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:4:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){1|C<3>,1|C<4>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	58.9753	0.000	2	58.8995	0.008	4	58.8540	0.016	5	58.9887	0.160	9	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:4:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){2|C<3>,2|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	58.8238	0.000	2	58.8995	0.008	4	58.8540	0.016	5	58.9887	0.160	9	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:4:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3){1|C<4>,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|H<1>,1|O<1>,2|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<1>,2|C<4>,2|H<1>}	59.4620	0.048	2	59.4620	0.002	2	59.4466	0.002	3	58.9887	0.160	9	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:4:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO){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|N<3>,1|O<1>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	59.4159	0.000	1	59.4159	0.000	1	59.4466	0.002	3	58.9887	0.160	9	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:2:3:4:	4:4:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO)	C[3,6](C[6,6]C[6,6]O[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO){1|C<3>,1|C<4>,2|O<2>}	C[3,6](C[6,6]C[6,6]O[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	58.2886	0.000	1	58.2886	0.000	1	58.2886	0.000	1	58.9887	0.160	9	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	3:4:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|O<2>,3|C<3>}	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|O<1>,2|C<3>}	58.9840	0.019	2	58.9840	0.000	2	58.9840	0.000	2	58.9840	0.000	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:3:2:1:	4:4:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)2	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<3>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<3>}	O[3](C[3,6]C[3,6]C[6,6]H)2{4|C<3>}	59.2648	0.322	2	59.2648	0.104	2	59.2648	0.104	2	59.2648	0.104	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:3:2:4:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,2|O<1>}	59.7670	0.223	4	59.7670	0.050	4	59.7670	0.050	4	59.7670	0.050	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)2	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|C<3>,2|H<1>,4|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)2{1|C<3>,1|H<1>,3|C<4>}	59.1794	0.000	1	59.1794	0.000	1	59.1794	0.000	1	58.9147	0.204	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,5,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H){1|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,5,6]CH)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	O[3](C[3,6]C[3,6]C[6]H)2{1|H<1>,1|O<1>,3|C<4>}	58.8856	0.017	2	58.8856	0.000	2	58.9640	0.070	9	58.9147	0.204	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	59.0990	0.333	4	58.9864	0.091	7	58.9640	0.070	9	58.9147	0.204	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	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|O<1>}	O[3](C[3,6]C[3,6]C[6]H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	58.7418	0.207	2	58.9864	0.091	7	58.9640	0.070	9	58.9147	0.204	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[3](C[3,6]C[3,6]C[6]H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	59.0253	0.000	1	58.9864	0.091	7	58.9640	0.070	9	58.9147	0.204	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[5,5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[4,6]O)(O[3]C[3,6])(H)	C[3,6](C[5,5,6]C[4,5,5,6]C[5]N[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[4,6]O)(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<4>}	C[3,6](C[5,5,6]C[4,5,5,6]C[5]N[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,2|H<1>,6|C<4>}	O[3](C[3,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|N<3>,1|O<1>,3|C<4>}	58.6179	0.000	1	58.6179	0.000	1	58.6179	0.000	1	58.9147	0.204	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|O<1>,1|O<2>,3|C<4>}	58.3310	0.184	2	58.3310	0.034	2	59.0633	0.458	5	58.9147	0.204	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6,6]O)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6,6]O)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<1>,3|C<4>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	59.5516	0.073	3	59.5516	0.005	3	59.0633	0.458	5	58.9147	0.204	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[5a,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H){1|C<4>,3|C<3>}	C[3,6](C[6,6]C[5a,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,4|C<3>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|O<1>,3|C<3>}	58.0938	0.000	1	58.0938	0.000	1	58.3376	0.119	2	58.9147	0.204	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|Br<1>,1|O<2>,3|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|O<1>,1|O<2>,3|C<4>}	58.5813	0.000	1	58.5813	0.000	1	58.3376	0.119	2	58.9147	0.204	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	59.2339	0.245	2	59.2339	0.060	2	59.2305	0.030	3	59.2305	0.030	3	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H){2|C<4>,2|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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	59.2236	0.000	1	59.2236	0.000	1	59.2305	0.030	3	59.2305	0.030	3	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:1:	4:4:3:2:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C[6a]-3:O[3]-2:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(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])	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	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>}	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	59.0788	0.000	1	59.0788	0.000	1	59.0788	0.000	1	59.0788	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:2:	4:4:4:2:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:O-2:	C[3,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC)	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6])	O[3](C[3,6]C[3,6]2C[6])(C[3,6]C[3,6]C[6]O)	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	O[3](C[3,6]C[3,6]2C[6])(C[3,6]C[3,6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	59.4060	0.164	8	59.4060	0.027	8	59.4060	0.027	8	59.4060	0.027	8	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:3:	4:4:2:1:	4:4:	C[3,6]-4:C[6a]-3:O[3]-2:N[6]-3:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S)	C[3,6](C[3,6]C[6a]N[6]O[3])(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6a]N[6])(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S){1|C<4>,1|O<1>,3|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>}	O[3](C[3,6]C[3,6]C[6a]N[6])(C[3,6]C[3,6]C[6]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	59.8688	0.000	1	59.8688	0.000	1	59.8688	0.000	1	59.8688	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:3:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:C-3:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6,6]H)(O[3]C[3,6])(CCO)	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6,6]H)(O[3]C[3,6])(CCO){1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	59.2564	0.000	1	59.2564	0.000	1	59.2564	0.000	1	59.2564	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:4:	4:3:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,2|O<1>}	59.4256	0.347	4	59.4256	0.120	4	59.4256	0.120	4	59.4256	0.120	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|O<1>,2|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	58.9043	0.000	1	58.9043	0.000	1	58.9043	0.000	1	58.9323	0.002	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO)	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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<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){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,1|O<2>,3|C<4>}	58.9604	0.000	1	58.9604	0.000	1	58.9604	0.000	1	58.9323	0.002	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:3:4:2:	4:2:3:1:	4:4:	C[3,6]-4:C[6a]-3:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H)	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]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]){4|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	58.7932	0.000	1	58.7932	0.000	1	58.7932	0.000	1	58.7932	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	3:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[5,6]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[5,6]C[5,6]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	60.8293	0.489	2	60.8293	0.239	2	60.8293	0.239	2	60.5072	0.417	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	3:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	59.6382	0.000	1	59.6382	0.000	1	59.6382	0.000	1	60.5072	0.417	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	3:4:2:1:	4:4:	C[4,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6a]-3:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[4,6]C[4,6,6]C[4]H)(C[3,6]C[6,6a]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[4,6]H)	C[3,6](C[4,6]C[4,6,6]C[4]H)(C[3,6]C[6,6a]O[3]H)(O[3]C[3,6])(H){1|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6,6a]C[6a])(C[3,6]C[4,6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	O[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[4,6]H){1|C<4>,1|H<1>,3|C<3>}	60.7319	0.000	1	60.7319	0.000	1	60.7319	0.000	1	60.5072	0.417	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	3:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-3:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]CO)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3)	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]CO)(O[3]C[3,6])(H){1|C<3>,1|O<1>,1|O<2>}	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3){1|C<3>,1|O<2>,3|C<4>}	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,2|C<3>,2|O<2>}	60.5627	0.000	1	60.5627	0.000	1	60.5627	0.000	1	60.5627	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:1:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]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){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,4|C<4>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|O<1>,3|C<4>}	59.5212	0.000	1	60.0683	0.225	3	60.0683	0.225	3	60.1781	0.374	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:1:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]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){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|O<1>,2|C<3>,2|C<4>}	60.3419	0.000	2	60.0683	0.225	3	60.0683	0.225	3	60.1781	0.374	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	O[3](C[3,6]C[3,6]C[6]H)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<4>,1|H<1>,1|O<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,4|C<4>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,1|O<1>,3|C<4>}	59.7129	0.088	2	59.7129	0.008	2	59.9206	0.226	5	60.1781	0.374	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	O[3](C[3,6]C[3,6]C[6]H)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<3>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	60.7431	0.000	1	60.7431	0.000	1	59.9206	0.226	5	60.1781	0.374	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	O[3](C[3,6]C[3,6]C[6]H)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>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	59.7169	0.221	2	59.7169	0.049	2	59.9206	0.226	5	60.1781	0.374	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:1:	4:4:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[3,6](C[3,6]C[5,6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	61.1507	0.131	2	61.1507	0.017	2	61.1507	0.017	2	60.1781	0.374	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	59.8494	0.000	1	59.8494	0.000	1	59.8494	0.000	1	60.1781	0.374	11	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:4:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|O<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	60.5354	0.000	1	60.5354	0.000	1	60.8016	0.048	5	60.3855	0.436	9	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:4:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){1|C<3>,1|C<4>,2|O<2>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	61.0285	0.000	2	60.8681	0.034	4	60.8016	0.048	5	60.3855	0.436	9	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:4:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]O[6]2)(O[3]C[3,6])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){2|C<3>,2|O<2>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	60.7077	0.000	2	60.8681	0.034	4	60.8016	0.048	5	60.3855	0.436	9	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<1>,2|C<4>,2|H<1>}	60.3216	0.088	2	60.3216	0.008	2	59.8493	0.673	3	60.3855	0.436	9	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	58.9048	0.000	1	58.9048	0.000	1	59.8493	0.673	3	60.3855	0.436	9	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:2:3:4:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6]C[6,6]O[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[6,6]C[6,6]O[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO){1|C<3>,1|C<4>,2|O<2>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	59.9136	0.000	1	59.9136	0.000	1	59.9136	0.000	1	60.3855	0.436	9	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,5,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,5,6]CH)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H){1|H<1>,4|C<4>}	O[3](C[3,6]C[3,6]C[6]H)2{1|H<1>,1|O<1>,3|C<4>}	59.7247	0.004	2	59.7247	0.000	2	60.0008	0.066	9	59.8530	0.138	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	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>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	60.1393	0.127	4	60.0797	0.056	7	60.0008	0.066	9	59.8530	0.138	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	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|O<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[3](C[3,6]C[3,6]C[6]H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	59.8398	0.312	2	60.0797	0.056	7	60.0008	0.066	9	59.8530	0.138	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	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>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	60.3215	0.000	1	60.0797	0.056	7	60.0008	0.066	9	59.8530	0.138	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[5,5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,5,6]C[4,5,5,6]C[5]N[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[4,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,5,6]C[4,5,5,6]C[5]N[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,2|H<1>,6|C<4>}	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[4,6]O)(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<4>}	O[3](C[3,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|N<3>,1|O<1>,3|C<4>}	59.6182	0.000	1	59.6182	0.000	1	59.6182	0.000	1	59.8530	0.138	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|O<1>,1|O<2>,3|C<4>}	59.5626	0.036	2	59.5626	0.001	2	59.6152	0.047	5	59.8530	0.138	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6,6]O)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	59.6502	0.298	3	59.6502	0.089	3	59.6152	0.047	5	59.8530	0.138	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)2	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>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|C<3>,2|H<1>,4|C<4>}	O[3](C[3,6]C[3,6]C[6,6]H)2{1|C<3>,1|H<1>,3|C<4>}	60.6840	0.000	1	60.6840	0.000	1	60.6840	0.000	1	59.8530	0.138	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6]C[5a,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[5a,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,4|C<3>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H){1|C<4>,3|C<3>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|O<1>,3|C<3>}	59.7353	0.000	1	59.7353	0.000	1	59.4847	0.126	2	59.8530	0.138	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]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){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|Br<1>,1|O<2>,3|C<4>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|O<1>,1|O<2>,3|C<4>}	59.2340	0.000	1	59.2340	0.000	1	59.4847	0.126	2	59.8530	0.138	18	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:3:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6a]-3:O[3]-2:N[6]-3:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6a]N[6]O[3])(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S)	O[3](C[3,6]C[3,6]C[6a]N[6])(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[3,6]C[6]O[3]H)(C[6a]C[6a]2)(O[3]C[3,6])(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[6a]N[6])(C[3,6]C[3,6]C[6]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	58.9230	0.000	1	58.9230	0.000	1	58.9230	0.000	1	58.9230	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:4:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|O<1>,2|C<4>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH){1|H<1>,2|C<4>,2|O<2>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	59.5965	0.000	1	59.5965	0.000	1	59.5965	0.000	1	59.8373	0.116	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:3:2:4:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:C[3,6]-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)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	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>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,1|O<2>,3|C<4>}	60.0781	0.000	1	60.0781	0.000	1	60.0781	0.000	1	59.8373	0.116	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)2(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]2H)2	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[3,6]O[3]H)2(O[3]C[3,6])(H){1|C<3>,1|H<1>,2|C<4>}	O[3](C[3,6]C[3,6]2H)2{1|O<2>,2|H<1>,3|C<4>}	59.3463	0.000	1	59.3463	0.000	1	59.5294	0.067	2	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)2(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]2H)2	C[3,6](C[3,6]C[3,6]O[3]H)2(O[3]C[3,6])(H){1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[3](C[3,6]C[3,6]2H)2{1|O<2>,2|H<1>,3|C<4>}	59.7126	0.000	1	59.7126	0.000	1	59.5294	0.067	2	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(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>}	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	59.7778	0.181	4	59.6496	0.061	6	59.6496	0.061	6	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(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])(H){1|C<4>,2|H<1>,2|O<2>}	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	59.3932	0.092	2	59.6496	0.061	6	59.6496	0.061	6	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[4,6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[4,6]C[4,6]C[4]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[4,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[4,6]H)(C[3,6]C[3,6]C[5,6]H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[4,6]C[4,6]C[4]H)(O[3]C[3,6])(H){1|H<1>,1|O<1>,4|C<4>}	C[3,6](C[3,6]C[4,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H){1|C<3>,3|C<4>,4|H<1>}	O[3](C[3,6]C[3,6]C[4,6]H)(C[3,6]C[3,6]C[5,6]H){1|C<3>,2|H<1>,3|C<4>}	59.5067	0.000	1	59.5067	0.000	1	59.5067	0.000	1	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[4,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[4,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[4,6]C[4,6]C[4]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[4,6]H)(C[3,6]C[3,6]C[5,6]H)	C[3,6](C[3,6]C[4,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H){1|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[4,6]C[4,6]C[4]H)(O[3]C[3,6])(H){1|H<1>,1|O<1>,4|C<4>}	O[3](C[3,6]C[3,6]C[4,6]H)(C[3,6]C[3,6]C[5,6]H){1|C<3>,2|H<1>,3|C<4>}	59.5853	0.000	1	59.5853	0.000	1	59.5853	0.000	1	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)2	C[3,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[3]C[3,6])(H){2|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[3]C[3,6])(H){2|C<4>,2|H<1>,2|O<2>}	O[3](C[3,6]C[3,6]C[5,6]H)2{2|C<4>,2|H<1>,2|O<2>}	59.6428	0.190	2	59.6428	0.036	2	59.6428	0.036	2	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(O[3]C[3,6])(H)	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)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6,6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(O[3]C[3,6])(H){2|C<3>,2|C<4>,4|H<1>}	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>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6,6]H){1|H<1>,5|C<4>}	59.3651	0.000	1	59.3651	0.000	1	59.3651	0.000	1	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H)	C[3,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[5,6]H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H){1|H<1>,2|O<2>,5|C<4>}	C[3,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(H){3|O<2>,4|C<4>,4|H<1>}	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[5,6]H){1|H<1>,5|C<4>}	57.3750	0.000	1	57.3750	0.000	1	57.3750	0.000	1	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-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)	C[3,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6,6]H)	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>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(O[3]C[3,6])(H){2|C<3>,2|C<4>,4|H<1>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6,6]H){1|H<1>,5|C<4>}	60.0784	0.000	1	60.0784	0.000	1	60.0784	0.000	1	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]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){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|N<3>,4|C<4>}	59.9680	0.000	1	59.9680	0.000	1	60.0738	0.022	2	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]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){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<2>,4|C<4>}	60.1796	0.000	1	60.1796	0.000	1	60.0738	0.022	2	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-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)	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)	O[3](C[3,6]C[3,6]C[6,6]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){1|C<3>,3|H<1>,4|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)2{1|H<1>,1|O<2>,4|C<4>}	59.7648	0.000	1	59.7648	0.000	1	59.7648	0.000	1	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H)	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>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	59.5146	0.213	3	59.6910	0.087	5	59.6910	0.087	5	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H)	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>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	O[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	59.9557	0.157	2	59.6910	0.087	5	59.6910	0.087	5	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|N<3>,4|C<4>}	59.9497	0.000	1	59.9497	0.000	1	59.5099	0.387	2	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<2>,4|C<4>}	59.0700	0.000	1	59.0700	0.000	1	59.5099	0.387	2	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{2|C<4>,4|H<1>}	59.5976	0.198	2	59.5976	0.039	2	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{2|C<4>,4|H<1>}	59.7163	1.166	2	59.5732	0.402	6	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{2|C<4>,4|H<1>}	59.3000	0.174	2	59.5732	0.402	6	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{2|C<4>,4|H<1>}	59.7032	0.627	2	59.5732	0.402	6	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{2|H<1>,4|C<4>}	59.9660	0.040	2	59.9660	0.002	2	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{2|C<4>,4|H<1>}	59.6557	0.415	6	59.6557	0.172	6	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H){2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HH)(O[3]C[3,6])(H){2|C<3>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{2|C<3>,4|H<1>}	59.8490	0.203	6	59.8490	0.041	6	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)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>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CO)(O[3]C[3,6])(H){3|C<4>}	O[3](C[3,6]C[3,6]C[6]H)2{2|O<2>,4|C<4>}	59.8391	0.000	1	59.8391	0.000	1	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{3|C<4>,3|H<1>}	58.2651	0.000	1	58.2651	0.000	1	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{3|C<4>,3|H<1>}	60.6501	0.000	1	60.6501	0.000	1	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{1|N<3>,2|C<4>,3|H<1>}	59.6074	0.424	3	59.6074	0.179	3	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<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<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{1|O<2>,2|C<3>,3|H<1>}	59.0336	0.000	1	59.0336	0.000	1	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HS)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{1|S<4>,2|C<4>,3|H<1>}	58.9396	0.000	1	58.9396	0.000	1	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H){1|N<3>,1|O<1>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,1|N<3>,4|H<1>}	59.5384	0.000	1	59.5384	0.000	1	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)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>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{1|N<3>,2|C<4>,3|H<1>}	59.6506	0.488	3	59.6506	0.238	3	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)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>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	58.7064	0.652	2	59.0703	0.319	4	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)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>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	59.4342	0.050	2	59.0703	0.319	4	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)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<3>,3|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<3>,1|O<2>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{1|O<2>,2|C<3>,3|H<1>}	60.4826	0.000	1	60.4826	0.000	1	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	59.4038	0.229	2	59.7537	0.258	4	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)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>,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>}	O[3](C[3,6]C[3,6]C[6]H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	60.1037	0.483	2	59.7537	0.258	4	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	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<3>,1|H<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|C<3>,1|O<2>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{2|C<3>,2|H<1>,2|O<2>}	60.0471	0.000	1	59.5781	0.092	6	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)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<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|Br<1>,1|C<3>,1|H<1>,1|O<2>}	O[3](C[3,6]C[3,6]C[6]H)2{2|C<3>,2|H<1>,2|O<2>}	59.3220	0.000	1	59.5781	0.092	6	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)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<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|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	O[3](C[3,6]C[3,6]C[6]H)2{2|C<3>,2|H<1>,2|O<2>}	59.3157	0.000	1	59.5781	0.092	6	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)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>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{2|C<4>,2|H<1>,2|O<2>}	59.7686	0.000	1	59.5781	0.092	6	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)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>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{2|C<4>,2|H<1>,2|O<2>}	59.3353	0.000	1	59.5781	0.092	6	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H){1|Cl<1>,1|C<3>,1|H<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|C<3>,1|O<2>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{2|C<3>,2|H<1>,2|O<2>}	59.6801	0.000	1	59.5781	0.092	6	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)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>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<4>,1|N<3>,1|O<2>,3|H<1>}	59.6794	0.122	2	59.6794	0.015	2	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HS)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{1|S<4>,2|C<4>,3|H<1>}	59.2826	0.000	1	59.2826	0.000	1	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H){1|C<3>,1|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])(H){1|N<3>,1|O<1>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,1|N<3>,4|H<1>}	60.3032	0.000	1	60.3032	0.000	1	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]N[6]HH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<4>,1|N<3>,1|O<2>,3|H<1>}	59.9476	0.057	2	59.9476	0.003	2	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CO)(O[3]C[3,6])(H){3|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{2|O<2>,4|C<4>}	59.3876	0.000	1	59.3876	0.000	1	59.6270	0.243	56	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	O[3](C[3,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	59.4239	0.000	1	59.4239	0.000	1	59.4239	0.000	1	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-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)	C[3,6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|O<2>,4|C<4>,5|H<1>}	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	59.5047	0.421	3	59.5047	0.177	3	59.5047	0.177	3	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[3,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]CH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[5,6]C[3,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,6|C<4>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	60.3934	0.000	1	60.3934	0.000	1	59.4819	0.168	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]FH)(O[3]C[3,6])(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]FH)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|F<1>,1|H<1>,2|C<4>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|F<1>,2|H<1>,2|O<2>}	59.6240	0.141	2	59.6240	0.020	2	59.4819	0.168	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HN)(O[3]C[3,6])(H)	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HN)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	59.6269	0.000	1	59.6269	0.000	1	59.4819	0.168	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|O<2>,3|H<1>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	59.6486	0.309	9	59.6486	0.096	9	59.4819	0.168	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,2|H<1>,3|O<2>}	59.3390	0.254	5	59.3390	0.065	5	59.4819	0.168	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	60.1041	0.000	1	60.1041	0.000	1	59.4819	0.168	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<2>,4|C<4>}	58.9654	0.223	4	58.9654	0.050	4	59.4819	0.168	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[5,6]C[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[5,6]C[5,6]C[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<4>,5|H<1>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	59.4253	0.000	1	59.4253	0.000	1	59.4819	0.168	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[5,6]N[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[5,6]N[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|N<3>,2|C<4>,3|H<1>}	59.4165	0.000	1	59.4165	0.000	1	59.4819	0.168	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-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)	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]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){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	58.9223	0.000	1	58.9223	0.000	1	59.4819	0.168	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<2>,4|C<4>}	60.0482	0.000	1	60.0482	0.000	1	59.8551	0.106	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6,6]CO)(O[3]C[3,6])(H)	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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6,6]CO)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,2|O<2>,3|C<4>}	59.7070	0.000	1	59.7070	0.000	1	59.8551	0.106	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	C[3,6](C[6,6]C[5,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){2|C<3>,3|C<4>}	C[3,6](C[6,6]C[5,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	59.2466	0.000	1	59.2466	0.000	1	59.8551	0.106	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	59.6146	0.000	1	59.9205	0.187	2	59.8551	0.106	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	60.2264	0.000	1	59.9205	0.187	2	59.8551	0.106	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CO)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<2>,4|C<4>}	60.2109	0.000	1	60.2109	0.000	1	59.8551	0.106	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.9331	0.385	4	59.9331	0.148	4	59.8551	0.106	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,2|O<2>,3|C<4>}	59.4836	0.000	1	59.4836	0.000	1	59.8551	0.106	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H)	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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H){4|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|N<3>,2|H<1>,3|C<4>}	59.9640	0.226	3	59.9597	0.034	4	59.8551	0.106	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H)	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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H){4|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|N<3>,2|H<1>,3|C<4>}	59.9469	0.000	1	59.9597	0.034	4	59.8551	0.106	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]O[6]HS)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]O[6]HS)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<2>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|S<3>,2|H<1>,2|O<2>}	59.5727	0.000	1	59.5727	0.000	1	59.8551	0.106	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,2|C<4>,3|H<1>}	59.1586	0.074	2	59.1586	0.005	2	59.3319	0.042	4	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(H)	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)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>}	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>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	59.5051	0.011	2	59.5051	0.000	2	59.3319	0.042	4	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	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>}	O[3](C[3,6]C[5,5,6]C[3,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	59.8818	0.000	1	59.8818	0.000	1	59.8818	0.000	1	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[5,6]H)	C[3,6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(H){3|O<2>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H){1|H<1>,2|O<2>,5|C<4>}	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[5,6]H){1|H<1>,5|C<4>}	61.2242	0.000	1	61.2242	0.000	1	61.2242	0.000	1	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|O<2>,4|C<4>,5|H<1>}	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>}	O[3](C[3,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	59.4597	0.373	3	59.4597	0.139	3	59.4597	0.139	3	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[3,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[3,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,6|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]CH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	59.6597	0.000	1	59.6597	0.000	1	59.6332	0.128	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6]C[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]C[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<4>,5|H<1>}	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>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	59.9777	0.000	1	59.9777	0.000	1	59.6332	0.128	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<3>,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>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	59.6872	0.000	1	59.6872	0.000	1	59.6332	0.128	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,2|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|O<2>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<2>,4|C<4>}	59.7564	0.153	4	59.7564	0.023	4	59.6332	0.128	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	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>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	59.6896	0.000	1	59.6896	0.000	1	59.6332	0.128	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]N[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]N[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	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>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|N<3>,2|C<4>,3|H<1>}	60.1025	0.000	1	60.1025	0.000	1	59.6332	0.128	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HN)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HN)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	59.4275	0.000	1	59.4275	0.000	1	59.6332	0.128	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|O<2>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	59.5725	0.538	9	59.5725	0.289	9	59.6332	0.128	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]FH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|F<1>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]FH)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|F<1>,2|H<1>,2|O<2>}	59.4965	0.097	2	59.4965	0.009	2	59.6332	0.128	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>}	O[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,2|H<1>,3|O<2>}	59.5496	0.245	5	59.5496	0.060	5	59.6332	0.128	26	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[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)	O[3](C[3,6]C[3,6]C[6,6]H)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)2{1|H<1>,1|O<2>,4|C<4>}	59.6222	0.000	1	59.6222	0.000	1	59.6222	0.000	1	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]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){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<2>,4|C<4>}	58.9350	0.000	1	58.9350	0.000	1	59.2252	0.061	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6,6]CO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6,6]CO)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,2|O<2>,3|C<4>}	59.1282	0.000	1	59.1282	0.000	1	59.2252	0.061	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6]C[5,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[5,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6]HO)(O[3]C[3,6])(H){2|C<3>,3|C<4>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	59.4544	0.000	1	59.4544	0.000	1	59.2252	0.061	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H){4|C<4>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|N<3>,2|H<1>,3|C<4>}	59.2518	0.417	3	59.2388	0.116	4	59.2252	0.061	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[5,6]HH)(O[3]C[3,6])(H){4|C<4>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|N<3>,2|H<1>,3|C<4>}	59.1996	0.000	1	59.2388	0.116	4	59.2252	0.061	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-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)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]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){2|C<3>,2|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){1|O<2>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	59.5359	0.000	1	59.3957	0.039	2	59.2252	0.061	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-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)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]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){4|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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	59.2554	0.000	1	59.3957	0.039	2	59.2252	0.061	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-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)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]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){1|O<2>,7|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<2>,4|C<4>}	59.0211	0.000	1	59.0211	0.000	1	59.2252	0.061	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-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)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]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){4|C<4>,4|H<1>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.2570	0.298	4	59.2570	0.089	4	59.2252	0.061	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]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){2|C<4>,2|O<2>,4|H<1>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|H<1>,2|O<2>,3|C<4>}	59.1771	0.000	1	59.1771	0.000	1	59.2252	0.061	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]H)(C[6]O[6]HS)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]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){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]O[6]HS)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<2>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H){1|C<4>,1|S<3>,2|H<1>,2|O<2>}	59.1130	0.000	1	59.1130	0.000	1	59.2252	0.061	16	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<3>,2|C<4>,3|H<1>}	59.7523	0.047	2	59.7523	0.002	2	59.4301	0.139	4	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]H)2	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>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>}	O[3](C[3,6]C[3,6]C[6]H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	59.1077	0.025	2	59.1077	0.001	2	59.4301	0.139	4	59.5793	0.211	183	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:3:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:C-3:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]C)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(COO)	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]C)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(COO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H){1|O<2>,2|H<1>,3|C<4>}	59.6420	0.000	1	59.6420	0.000	1	59.6420	0.000	1	59.4331	0.037	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:3:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CHH)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.5498	0.000	1	59.5498	0.000	1	59.3635	0.026	3	59.4331	0.037	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:3:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CH)(O[3]C[3,6])(CCO)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CH)(O[3]C[3,6])(CCO){1|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	59.2703	0.008	2	59.2703	0.000	2	59.3635	0.026	3	59.4331	0.037	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6,6]C[3]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH)	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O[3]C[3,6])(H){1|O<2>,3|C<4>}	C[3,6](C[3,6]C[3,6,6]C[3]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH){2|C<4>,2|O<2>,3|H<1>}	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H){1|H<1>,2|O<2>,3|C<4>}	60.3581	0.000	1	60.3581	0.000	1	60.3581	0.000	1	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(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])(CHHO){1|C<4>,2|H<1>,2|O<2>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	59.3611	0.004	2	59.3611	0.000	2	59.3611	0.000	2	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[3,6,6]C[5]O[5])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(H){1|O<2>,3|C<4>}	C[3,6](C[5,6]C[3,6,6]C[5]O[5])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH){1|S<3>,2|C<4>,3|H<1>,3|O<2>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]2H){1|H<1>,2|O<2>,3|C<4>}	59.2275	0.000	1	59.2275	0.000	1	59.2275	0.000	1	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-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)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<2>,2|H<1>,3|C<4>}	59.8999	0.000	1	59.8999	0.000	1	59.8999	0.000	1	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CBrHH)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.8408	0.000	1	59.8408	0.000	1	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.8016	0.419	4	59.8016	0.176	4	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH){1|C<4>,1|N<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	60.0108	0.000	1	60.0108	0.000	1	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	59.4071	0.000	1	59.7156	0.159	3	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|N<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	59.5739	0.000	1	59.7156	0.159	3	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	60.1657	0.000	1	59.7156	0.159	3	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|C<3>,1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	60.1917	0.000	1	60.3089	0.260	5	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	60.4020	0.697	3	60.3089	0.260	5	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	60.1465	0.000	1	60.3089	0.260	5	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H){1|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH){2|H<1>,3|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.3625	0.000	1	59.3625	0.000	1	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	58.9184	0.000	1	58.9184	0.000	1	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6a]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6a]HO)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(CH3){1|H<1>,1|O<2>,2|C<3>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	59.5354	0.000	1	59.5354	0.000	1	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.7415	0.281	3	59.7415	0.079	3	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CCHH)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	59.9495	0.000	1	59.9495	0.000	1	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	60.2995	0.000	1	60.1214	0.063	2	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	59.9433	0.000	1	60.1214	0.063	2	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	59.5460	0.166	2	59.6032	0.100	4	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	60.0201	0.000	1	59.6032	0.100	4	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	59.3009	0.000	1	59.6032	0.100	4	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CCHH)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CCHH){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	59.2720	0.000	1	59.2720	0.000	1	59.8095	0.203	28	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[5,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[5,6]C[5,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	60.1888	0.000	1	60.1888	0.000	1	59.9279	0.171	3	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){2|O<2>,3|C<4>,3|H<1>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|H<1>,3|C<4>}	60.1437	0.000	1	60.1437	0.000	1	59.9279	0.171	3	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	59.4511	0.000	1	59.4511	0.000	1	59.9279	0.171	3	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	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)	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.8066	0.000	1	59.8066	0.000	1	60.0540	0.232	5	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	59.9361	0.481	3	59.9361	0.231	3	60.0540	0.232	5	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(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)	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	60.6550	0.000	1	60.6550	0.000	1	60.0540	0.232	5	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-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)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	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>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|H<1>,2|O<2>,3|C<4>}	60.1939	0.000	1	60.1939	0.000	1	60.1939	0.000	1	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:2:4:	4:4:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<2>,1|C<3>,1|C<5>,1|C<6>,1|O<2>,2|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])(CH3){1|C<4>,1|C<7>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<7>,2|C<4>,3|H<1>}	60.9501	0.000	1	60.9501	0.000	1	60.9501	0.000	1	59.8621	0.225	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:3:2:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6])	O[3](C[3,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,6]C[6]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){1|C<4>,1|H<1>,7|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	O[3](C[3,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,6]C[6]H){1|H<1>,2|C<4>,5|C<3>}	59.1043	0.000	1	59.1043	0.000	1	59.1043	0.000	1	59.1043	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3,6]-4:	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[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])	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]2)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]2){1|C<2>,2|N<3>,3|C<4>,3|H<1>}	59.4243	0.000	1	59.4243	0.000	1	59.5415	0.027	2	59.5415	0.027	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3,6]-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)	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])	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]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){1|C<2>,2|C<4>,3|N<3>,5|H<1>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]2){1|C<2>,2|N<3>,3|C<4>,3|H<1>}	59.6587	0.000	1	59.6587	0.000	1	59.5415	0.027	2	59.5415	0.027	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:3:	4:2:3:3:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-3:	C[3,6]-4:O[3]-2:C[6]-3:C-3:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[3,5]C[5,6]C)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(COO)	C[3,6](C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(COO)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C)	C[3,6](C[5,6]C[3,5]C[5,6]C)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(COO){1|C<3>,1|O<1>,1|O<2>,1|P<4>,2|C<4>}	C[3,6](C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|C<4>}	59.6699	0.000	1	59.6699	0.000	1	59.6699	0.000	1	59.6699	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:3:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:C-3:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(COO)	C[3,6](C[3,6]C[3,6]O[3]C)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(COO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[3,6]O[3]C)(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(H){2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H){1|O<2>,2|H<1>,3|C<4>}	58.8284	0.000	1	58.8284	0.000	1	58.8284	0.000	1	59.1916	0.257	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:3:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.9343	0.000	1	59.9343	0.000	1	59.3126	0.298	3	59.1916	0.257	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:3:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CH)(O[3]C[3,6])(CCO)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CH)(O[3]C[3,6])(CCO){1|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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	59.0018	0.125	2	59.0018	0.016	2	59.3126	0.298	3	59.1916	0.257	4	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:3:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	59.2769	0.000	1	59.2769	0.000	1	59.2769	0.000	1	59.2769	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:2:3:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<3>,1|O<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	59.8174	0.000	1	59.8174	0.000	1	59.8174	0.000	1	59.8174	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:3:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H){2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	59.9980	0.000	1	59.9980	0.000	1	59.8866	0.010	3	59.8866	0.010	3	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:3:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	59.8309	0.043	2	59.8309	0.002	2	59.8866	0.010	3	59.8866	0.010	3	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:3:2:3:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-3:O[3]-2:C-3:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6,6]H)(O[3]C[3,6])(CCO)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C)	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6,6]H)(O[3]C[3,6])(CCO){1|C<3>,1|H<1>,2|C<4>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	59.9150	0.000	1	59.9150	0.000	1	59.9150	0.000	1	59.9150	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6,6]C[3]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6,6]C[3]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH){2|C<4>,2|O<2>,3|H<1>}	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O[3]C[3,6])(H){1|O<2>,3|C<4>}	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H){1|H<1>,2|O<2>,3|C<4>}	59.3317	0.000	1	59.3317	0.000	1	59.3317	0.000	1	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO)	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H)	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>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	59.8464	0.301	2	59.8464	0.090	2	59.8464	0.090	2	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6,6]C[6,6]2O)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<2>,2|H<1>,3|C<4>}	59.1192	0.000	1	59.1192	0.000	1	59.1192	0.000	1	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	59.2833	0.000	1	59.2833	0.000	1	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	60.1882	0.000	1	59.6044	0.256	3	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	59.3217	0.000	1	59.6044	0.256	3	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|N<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	59.3032	0.000	1	59.6044	0.256	3	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H){1|H<1>,4|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.6964	0.000	1	59.6964	0.000	1	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|C<3>,1|H<1>,3|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	59.0943	0.000	1	59.1260	0.125	5	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|H<1>,2|C<3>,2|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	59.2219	0.451	3	59.1260	0.125	5	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|H<1>,2|C<3>,2|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	58.8700	0.000	1	59.1260	0.125	5	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	59.3374	0.000	1	59.3374	0.000	1	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6a]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(CH3){1|H<1>,1|O<2>,2|C<3>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6a]HO)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<3>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	59.5756	0.000	1	59.5756	0.000	1	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CBrHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.5527	0.000	1	59.5527	0.000	1	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	60.2307	0.000	1	60.2307	0.000	1	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.5081	0.504	4	59.5081	0.254	4	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.4265	0.236	3	59.4265	0.056	3	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	59.4612	0.000	1	59.5435	0.014	2	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	59.6259	0.000	1	59.5435	0.014	2	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CCHH){1|C<2>,1|C<4>,1|H<1>,1|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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	59.8365	0.000	1	59.8365	0.000	1	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	59.0669	0.000	1	59.3793	0.060	4	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	59.3222	0.000	1	59.3793	0.060	4	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	59.5640	0.099	2	59.3793	0.060	4	59.4597	0.134	28	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO)	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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<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){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|H<1>,2|O<2>,3|C<4>}	59.4701	0.000	1	59.4701	0.000	1	59.4701	0.000	1	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	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>}	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<2>,1|C<3>,1|C<5>,1|C<6>,1|O<2>,2|H<1>,4|C<4>}	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<7>,2|C<4>,3|H<1>}	59.5319	0.000	1	59.5319	0.000	1	59.5319	0.000	1	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[3,6,6]C[5]O[5])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH)	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]2H)	C[3,6](C[5,6]C[3,6,6]C[5]O[5])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH){1|S<3>,2|C<4>,3|H<1>,3|O<2>}	C[3,6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(H){1|O<2>,3|C<4>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]2H){1|H<1>,2|O<2>,3|C<4>}	59.5892	0.000	1	59.5892	0.000	1	59.5892	0.000	1	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.0990	0.000	1	59.0990	0.000	1	59.1952	0.095	3	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HO)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){2|O<2>,3|C<4>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[5,6]HO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|H<1>,3|C<4>}	58.9466	0.000	1	58.9466	0.000	1	59.1952	0.095	3	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,2|H<1>}	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	59.5400	0.000	1	59.5400	0.000	1	59.1952	0.095	3	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	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>}	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>}	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.2644	0.000	1	59.2644	0.000	1	59.0197	0.341	5	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-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)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]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){3|C<4>,5|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>}	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	58.8749	0.776	3	58.8749	0.602	3	59.0197	0.341	5	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-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)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]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){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>}	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	59.2093	0.000	1	59.2093	0.000	1	59.0197	0.341	5	59.4021	0.161	43	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:3:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCH)	O[3](C[3,6]C[3,6]C[6]C)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	58.7891	0.000	1	58.7891	0.000	1	58.7891	0.000	1	58.7891	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]C)2{2|C<4>,4|H<1>}	59.5955	0.153	4	59.5955	0.023	4	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]C)2{2|C<4>,4|H<1>}	60.1396	0.042	2	60.1396	0.002	2	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)2{2|C<4>,4|H<1>}	59.2683	0.107	2	59.5142	0.088	4	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)2{2|C<4>,4|H<1>}	59.7600	0.097	2	59.5142	0.088	4	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	59.4441	0.000	1	59.4441	0.000	1	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	59.8126	0.000	1	59.8126	0.000	1	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(CC[3]HO)	O[3](C[3,6]C[3,6]C[6]C)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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)2{1|H<1>,1|O<2>,4|C<4>}	58.0842	0.000	1	58.0842	0.000	1	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2	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>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	O[3](C[3,6]C[3,6]C[6]C)2{1|N<4>,2|H<1>,3|C<4>}	59.2556	0.000	1	59.2556	0.000	1	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH)	O[3](C[3,6]C[3,6]C[6]C)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	59.3534	0.000	1	59.3534	0.000	1	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO)	O[3](C[3,6]C[3,6]C[6]C)2	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>}	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>}	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	58.9860	0.000	1	58.9860	0.000	1	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH)	O[3](C[3,6]C[3,6]C[6]C)2	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>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH){2|C<4>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]C)2{1|N<4>,2|C<4>,3|H<1>}	59.5934	0.000	1	59.5934	0.000	1	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-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)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO)	O[3](C[3,6]C[3,6]C[6]C)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){2|H<1>,3|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6]C)2{1|H<1>,1|O<2>,4|C<4>}	60.0284	0.000	1	60.0284	0.000	1	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH){2|C<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])(CH3){1|C<4>,1|N<4>,3|H<1>}	O[3](C[3,6]C[3,6]C[6]C)2{1|N<4>,2|C<4>,3|H<1>}	59.1911	0.000	1	59.1911	0.000	1	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:2:4:	4:4:2:4:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3){2|H<1>,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>}	O[3](C[3,6]C[3,6]C[6]C)2{1|N<4>,2|H<1>,3|C<4>}	59.7045	0.000	1	59.7045	0.000	1	59.5085	0.214	20	59.5085	0.214	20	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:3:2:	4:3:2:1:	4:4:	C[3,6]-4:C[6]-4:C[6a]-3:O[3]-2:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	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[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]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]){1|C<4>,3|C<3>,4|H<1>}	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	O[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[3,6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	59.7514	0.000	1	59.7514	0.000	1	59.7514	0.000	1	59.7514	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:3:2:	4:4:2:1:	4:4:	C[3,6]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6])	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)	O[3](C[3,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	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>}	O[3](C[3,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,6]C[6]H){1|H<1>,2|C<4>,5|C<3>}	58.2400	0.000	1	58.2400	0.000	1	58.2400	0.000	1	58.2400	0.000	1	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:4:2:	4:3:2:2:	4:4:	C[3,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6]-3:O[3]-2:O-2:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6])	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC)	O[3](C[3,6]C[3,6]2C[6])(C[3,6]C[3,6]C[6]O)	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[3,6]C[6]O[3]O)(C[6]C[6,6a]HO)(O[3]C[3,6]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[3](C[3,6]C[3,6]2C[6])(C[3,6]C[3,6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	59.0993	0.123	8	59.0993	0.015	8	59.0993	0.015	8	59.0993	0.015	8	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-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])	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)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]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]){3|H<1>,6|C<4>}	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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]2){1|C<2>,2|N<3>,3|C<4>,3|H<1>}	59.6653	0.000	1	59.6653	0.000	1	59.5123	0.047	2	59.5123	0.047	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3,6]	O[3]	4:4:4:2:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[3,6]-4:C[3,6]-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])	C[3,6](C[6,6]C[3x6]C[6]H)(C[3,6]C[6]2O[3])(O[3]C[3,6])(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]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]){3|H<1>,6|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>}	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]2){1|C<2>,2|N<3>,3|C<4>,3|H<1>}	59.3593	0.000	1	59.3593	0.000	1	59.5123	0.047	2	59.5123	0.047	2	59.5369	0.303	447	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	3:3:4:2:	4:2:1:1:	4:4:	C[6,6a]-3:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6]C[6,6a]C[6,6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[6,6a]C[6,6]C[3])(C[3]C[3,6]HH)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3]){1|H<1>,2|C<4>,3|C<3>}	C[3](C[3,6]C[6,6a]C[6,6]O[3])(O[3]C[3,6])(H)2{1|O<2>,3|C<3>}	O[3](C[3,6]C[6,6a]C[6,6]C[3])(C[3]C[3,6]HH){1|O<2>,3|C<3>}	58.1686	0.000	1	58.1686	0.000	1	58.1686	0.000	1	58.1686	0.000	1	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	3:4:3:2:	4:2:1:1:	4:4:	C[6]-3:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<1>,2|C<3>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){1|H<1>,1|O<1>,2|C<3>}	57.1377	0.000	1	57.1377	0.000	1	57.1377	0.000	1	57.1377	0.000	1	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	3:4:4:2:	4:2:1:1:	4:4:	C[5a,6]-3:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-4:	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[3](C[3,6]C[5a,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[5a,6]C[3]C[6])(C[3]C[3,6]HH)	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>}	C[3](C[3,6]C[5a,6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[3](C[3,6]C[5a,6]C[3]C[6])(C[3]C[3,6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	59.1744	0.000	1	59.1744	0.000	1	59.1744	0.000	1	59.1744	0.000	1	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	3:4:4:2:	4:2:4:1:	4:4:	C[6]-3:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	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>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	58.8121	0.000	1	58.8121	0.000	1	58.8121	0.000	1	58.8121	0.000	1	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:3:2:2:	4:2:4:1:	4:4:	C[3]-4:C[6]-3:O[3]-2:O[6]-2:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6])	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H)	O[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	O[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH){1|C<4>,1|N<3>,1|O<1>}	60.6743	0.000	1	60.6743	0.000	1	60.6743	0.000	1	60.6743	0.000	1	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:3:3:2:	4:3:2:1:	4:4:	C[3]-4:C[6]-3:N[6]-3:O[3]-2:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3])	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	O[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]C[6a]H)	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3]){1|O<1>,2|C<3>,2|C<4>}	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	60.1560	0.249	2	60.1560	0.062	2	60.1560	0.062	2	59.7980	0.192	4	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:3:3:2:	4:3:2:1:	4:4:	C[3]-4:N[6]-3:N[6]-3:O[3]-2:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[3,6]-4:	C[3,6](C[3]C[6a]O[3]H)(N[6]C[6a]C[6])2(O[3]C[3])	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)	C[3,6](C[3]C[6a]O[3]H)(N[6]C[6a]C[6])2(O[3]C[3]){1|C<4>,2|O<1>,6|C<3>}	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){2|H<1>,6|C<3>}	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2){6|C<3>}	59.4399	0.016	2	59.4399	0.000	2	59.4399	0.000	2	59.7980	0.192	4	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:3:3:2:	4:4:2:1:	4:4:	C[3]-4:C[6]-3:C[6]-3:O[3]-2:	C[3,6]-4:C[5]-4:O[3]-2:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]C[5]H)	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H){2|C<4>,3|C<3>,3|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]C[5]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	57.9114	0.000	1	57.9114	0.000	1	57.9114	0.000	1	57.9114	0.000	1	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:3:4:2:	4:3:3:2:	4:4:	C[3]-4:C[6]-3:C[6]-4:O[3]-2:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[3,6]-4:	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6])	O[3](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]2)	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3]){1|N<2>,5|C<3>}	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	O[3](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]2){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	59.0053	0.000	1	59.0053	0.000	1	59.0053	0.000	1	59.0053	0.000	1	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:3:2:	4:2:1:1:	4:4:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3x6]C[3]C[6])(C[3]C[3,6]HH)	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>}	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O[3](C[3,6]C[3x6]C[3]C[6])(C[3]C[3,6]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	59.8823	0.136	3	59.8823	0.018	3	59.8823	0.018	3	59.4930	0.619	4	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:3:2:	4:2:1:1:	4:4:	C[5,6,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3])	C[3](C[3,6]C[5,6,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[5,6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3](C[3,6]C[5,6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[5,6,6]C[3]C[6])(C[3]C[3,6]HH){1|C<3>,2|C<4>,2|H<1>}	58.3250	0.000	1	58.3250	0.000	1	58.3250	0.000	1	59.4930	0.619	4	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:3:2:	4:2:4:4:	4:4:	C[5,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6]-4:C[3]-4:	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3])	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(CH3)2	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CC)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3]){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CC){1|H<1>,2|C<3>,2|C<4>}	58.8871	0.000	1	58.8871	0.000	1	58.8871	0.000	1	58.8871	0.000	1	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[3,6,6]-4:C[3,6]-4:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6]C[3,6,6]C[3,6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3,6,6]C[3,6]C[3])(C[3]C[3,6]HH)	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,2|H<1>,3|C<4>}	C[3](C[3,6]C[3,6,6]C[3,6]O[3])(O[3]C[3,6])(H)2{2|O<2>,4|C<4>}	O[3](C[3,6]C[3,6,6]C[3,6]C[3])(C[3]C[3,6]HH){2|O<2>,4|C<4>}	59.4247	0.000	1	59.4247	0.000	1	59.4247	0.000	1	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	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>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){1|O<2>,2|C<4>,3|H<1>}	59.5795	0.000	1	59.5795	0.000	1	59.5795	0.000	1	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[3x6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-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])	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3x6]C[3]C[6])(C[3]C[3,6]HH)	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>}	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[3](C[3,6]C[3x6]C[3]C[6])(C[3]C[3,6]HH){1|H<1>,1|O<2>,4|C<4>}	58.9350	0.000	1	58.9350	0.000	1	58.9350	0.000	1	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[4,6]-4:C[4,6]-4:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[4,6]C[3,6]C[4]2)2(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6]C[4,6]2O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[4,6]2C[3])(C[3]C[3,6]HH)	C[3,6](C[4,6]C[3,6]C[4]2)2(C[3]O[3]HH)(O[3]C[3]){2|O<2>,5|C<4>,8|H<1>}	C[3](C[3,6]C[4,6]2O[3])(O[3]C[3,6])(H)2{6|C<4>}	O[3](C[3,6]C[4,6]2C[3])(C[3]C[3,6]HH){6|C<4>}	58.9714	0.797	2	58.9714	0.635	2	58.9714	0.635	2	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-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])	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]HH)	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>}	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]HH){1|O<2>,2|H<1>,3|C<4>}	59.7843	0.000	1	59.7843	0.000	1	59.7843	0.000	1	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-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])	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	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>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{2|H<1>,4|C<4>}	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){2|H<1>,4|C<4>}	59.2894	0.000	1	59.2894	0.000	1	59.7563	0.069	5	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-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])	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	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>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){1|H<1>,1|O<2>,4|C<4>}	59.8835	0.000	1	59.8787	0.000	2	59.7563	0.069	5	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-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])	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	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>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){1|H<1>,1|O<2>,4|C<4>}	59.8740	0.000	1	59.8787	0.000	2	59.7563	0.069	5	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-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])	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	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>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){1|O<2>,2|H<1>,3|C<4>}	59.8672	0.057	2	59.8672	0.003	2	59.7563	0.069	5	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[6,6]-4:C[6]-4:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-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])	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	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>}	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){1|H<1>,2|O<2>,3|C<4>}	60.2057	0.000	1	60.2057	0.000	1	60.2057	0.000	1	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	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>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{3|C<4>,3|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){3|C<4>,3|H<1>}	59.2669	0.095	2	59.2669	0.009	2	59.2669	0.009	2	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-4:	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[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	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>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){1|O<2>,2|H<1>,3|C<4>}	61.8107	0.000	1	61.8107	0.000	1	60.6641	2.630	2	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:1:1:	4:4:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[6]C[5,6]HH)2(C[3]O[3]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	C[3,6](C[6]C[5,6]HH)2(C[3]O[3]HH)(O[3]C[3]){1|N<3>,2|C<4>,2|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{2|C<4>,4|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){2|C<4>,4|H<1>}	59.5174	0.000	1	59.5174	0.000	1	60.6641	2.630	2	59.6572	0.518	16	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-3:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(COO)(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3]){2|C<4>,3|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(COO)(H){2|C<3>,4|C<4>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){2|C<3>,4|C<4>}	58.5174	0.000	1	58.5174	0.000	1	58.5174	0.000	1	58.4369	0.013	2	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:3:1:	4:4:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-3:H-1:	C[3,6]-4:C[3]-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])	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(COO)(H)	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CH)	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>}	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(COO)(H){1|C<3>,5|C<4>}	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CH){1|C<3>,5|C<4>}	58.3564	0.000	1	58.3564	0.000	1	58.3564	0.000	1	58.4369	0.013	2	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	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>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H){3|C<4>,3|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){3|C<4>,3|H<1>}	60.0668	0.000	1	60.0668	0.000	1	59.8826	0.030	6	59.8826	0.030	6	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	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>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){1|O<2>,2|C<4>,3|H<1>}	59.9103	0.108	3	59.9103	0.012	3	59.8826	0.030	6	59.8826	0.030	6	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:4:1:	4:4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)2(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)2(O[3]C[3]){1|N<3>,4|H<1>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){2|C<4>,4|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){2|C<4>,4|H<1>}	59.7488	0.236	2	59.7488	0.056	2	59.8826	0.030	6	59.8826	0.030	6	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:4:4:	4:4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6]-4:C[3]-4:	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	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>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){3|C<4>,3|H<1>}	58.9013	0.000	1	58.9013	0.000	1	59.2450	0.236	2	59.5152	0.319	7	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:4:4:	4:4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6]-4:C[3]-4:	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	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>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	59.5888	0.000	1	59.5888	0.000	1	59.2450	0.236	2	59.5152	0.319	7	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:4:4:	4:4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6]-4:C[3]-4:	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	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>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){3|C<4>,3|H<1>}	59.8374	0.706	3	59.8374	0.498	3	59.6232	0.368	5	59.5152	0.319	7	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:4:4:	4:4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6]-4:C[3]-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])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	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>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3){1|C<7>,2|C<4>,3|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){1|C<7>,2|C<4>,3|H<1>}	59.0455	0.000	1	59.0455	0.000	1	59.6232	0.368	5	59.5152	0.319	7	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:2:4:4:	4:4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3,6]-4:C[3]-4:	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	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>}	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{2|C<4>,4|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){2|C<4>,4|H<1>}	59.5583	0.000	1	59.5583	0.000	1	59.6232	0.368	5	59.5152	0.319	7	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3,6]	C[3]	O[3]	4:4:4:2:	4:3:2:1:	4:4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[3,6]-4:	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[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]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]){1|C<4>,2|C<3>,4|H<1>}	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	59.4952	0.000	1	59.4952	0.000	1	59.4952	0.000	1	59.4952	0.000	1	59.4525	0.607	48	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,4]	O[3]	4:2:3:1:	4:4:3:2:	4:4:	C[3,4]-4:O[3]-2:N-3:H-1:	C[4]-4:C[3]-4:C[4]-3:O[3]-2:	C[3,4]-4:C[3]-4:	C[3](C[3,4]C[4]2O[3])(O[3]C[3,4])(NOO)(H)	C[3,4](C[4]C[5]N[4]H)(C[3]O[3]HN)(C[4]N[4]O)(O[3]C[3])	O[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HN)	C[3](C[3,4]C[4]2O[3])(O[3]C[3,4])(NOO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3,4](C[4]C[5]N[4]H)(C[3]O[3]HN)(C[4]N[4]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HN){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	59.6988	0.000	1	59.6988	0.000	1	59.6988	0.000	1	59.6988	0.000	1	59.6988	0.000	1	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[3]-4:O[3]-2:	C[3,5,6]-4:C[3]-4:	C[3](C[3,5,6]C[5,5,6,6]C[5,6,6]O[3])(O[3]C[3,5,6])(H)2	C[3,5,6](C[5,5,6,6]C[3x5,6]C[3x6]C[5])(C[5,6,6]C[5,5,6]C[6,6]C)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,5,6]C[5,5,6,6]C[5,6,6]C[3])(C[3]C[3,5,6]HH)	C[3](C[3,5,6]C[5,5,6,6]C[5,6,6]O[3])(O[3]C[3,5,6])(H)2{1|C<3>,5|C<4>}	C[3,5,6](C[5,5,6,6]C[3x5,6]C[3x6]C[5])(C[5,6,6]C[5,5,6]C[6,6]C)(C[3]O[3]HH)(O[3]C[3]){1|O<1>,2|H<1>,4|C<4>,4|O<2>}	O[3](C[3,5,6]C[5,5,6,6]C[5,6,6]C[3])(C[3]C[3,5,6]HH){1|C<3>,5|C<4>}	58.4244	0.121	4	58.4244	0.015	4	58.4244	0.015	4	59.3652	0.572	14	59.3652	0.572	14	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5,6]-4:C[3]-4:	C[3](C[3,5,6]C[5,6]2O[3])(O[3]C[3,5,6])(H)2	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,5,6]C[5,6]2C[3])(C[3]C[3,5,6]HH)	C[3](C[3,5,6]C[5,6]2O[3])(O[3]C[3,5,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<4>,3|H<1>}	O[3](C[3,5,6]C[5,6]2C[3])(C[3]C[3,5,6]HH){1|H<1>,1|O<2>,4|C<4>}	59.7880	0.530	9	59.7416	0.271	10	59.7416	0.271	10	59.3652	0.572	14	59.3652	0.572	14	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,5,6]-4:O[3]-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5,6]-4:C[3]-4:	C[3](C[3,5,6]C[5,6]2O[3])(O[3]C[3,5,6])(H)2	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,5,6]C[5,6]2C[3])(C[3]C[3,5,6]HH)	C[3](C[3,5,6]C[5,6]2O[3])(O[3]C[3,5,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3]){2|H<1>,2|O<2>,3|C<4>}	O[3](C[3,5,6]C[5,6]2C[3])(C[3]C[3,5,6]HH){1|H<1>,1|O<2>,4|C<4>}	59.3234	0.000	1	59.7416	0.271	10	59.7416	0.271	10	59.3652	0.572	14	59.3652	0.572	14	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:1:1:	3:4:3:2:	4:4:	C[3,5]-4:O[3]-2:H-1:H-1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(H)2	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3])	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(H)2{1|N<3>,1|O<1>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]HH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>}	59.2205	0.000	1	59.2205	0.000	1	59.2205	0.000	1	59.2205	0.000	1	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,5]-4:O[3]-2:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[3,5]C[5,6]O[3])(O[3]C[3,5])(H)2	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,5]C[3,5]C[5,6]C[3])(C[3]C[3,5]HH)	C[3](C[3,5]C[3,5]C[5,6]O[3])(O[3]C[3,5])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(O[3]C[3]){2|C<4>,2|H<1>,2|O<2>}	O[3](C[3,5]C[3,5]C[5,6]C[3])(C[3]C[3,5]HH){1|H<1>,1|O<2>,4|C<4>}	59.2437	0.000	1	59.2437	0.000	1	59.2437	0.000	1	59.1604	0.050	6	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,5]-4:O[3]-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,5,6]C[5,6]O[3])(O[3]C[3,5])(H)2	C[3,5](C[5,5,6]C[5,3x6]C[5,6]C[5])(C[5,6]C[5,6,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,5]C[5,5,6]C[5,6]C[3])(C[3]C[3,5]HH)	C[3](C[3,5]C[5,5,6]C[5,6]O[3])(O[3]C[3,5])(H)2{1|H<1>,2|C<3>,3|C<4>}	C[3,5](C[5,5,6]C[5,3x6]C[5,6]C[5])(C[5,6]C[5,6,6]C[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	O[3](C[3,5]C[5,5,6]C[5,6]C[3])(C[3]C[3,5]HH){1|H<1>,2|C<3>,3|C<4>}	58.9856	0.101	2	58.9856	0.010	2	58.9856	0.010	2	59.1604	0.050	6	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,5]-4:O[3]-2:H-1:H-1:	C[5,6]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,6]C[5]O[3])(O[3]C[3,5])(H)2	C[3,5](C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(C[5]C[5]HH)(O[3]C[3])	O[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH)	C[3](C[3,5]C[5,6]C[5]O[3])(O[3]C[3,5])(H)2{2|H<1>,4|C<4>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(C[5]C[5]HH)(O[3]C[3]){2|C<4>,5|H<1>}	O[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH){2|H<1>,4|C<4>}	59.5433	0.000	1	59.5433	0.000	1	59.5433	0.000	1	59.1604	0.050	6	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,5]-4:O[3]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[3]-4:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,6]C[5]O[3])(O[3]C[3,5])(H)2	C[3,5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH)	C[3](C[3,5]C[5,6]C[5]O[3])(O[3]C[3,5])(H)2{1|O<2>,2|H<1>,3|C<4>}	C[3,5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(C[3]O[3]HH)(O[3]C[3]){2|O<2>,3|C<4>}	O[3](C[3,5]C[5,6]C[3]C[5])(C[3]C[3,5]HH){1|O<2>,2|H<1>,3|C<4>}	59.1944	0.000	1	59.1944	0.000	1	59.1944	0.000	1	59.1604	0.050	6	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,5]-4:O[3]-2:H-1:H-1:	C[5]-4:C[5]-4:C[3]-4:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(H)2	C[3,5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(H)2{1|H<1>,2|C<3>,3|C<4>}	C[3,5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(C[3]O[3]HH)(O[3]C[3]){2|C<3>}	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH){1|H<1>,2|C<3>,3|C<4>}	59.0096	0.000	1	59.0096	0.000	1	59.0096	0.000	1	59.1604	0.050	6	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:3:1:	3:4:3:2:	4:4:	C[3,5]-4:O[3]-2:C-3:H-1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	58.1304	0.000	1	57.9362	0.075	2	58.7553	0.323	8	58.7553	0.323	8	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:3:1:	3:4:3:2:	4:4:	C[3,5]-4:O[3]-2:C-3:H-1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CC[6a]O)(H){1|N<3>,1|O<1>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){2|C<3>,2|H<1>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	57.7420	0.000	1	57.9362	0.075	2	58.7553	0.323	8	58.7553	0.323	8	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:3:1:	3:4:3:2:	4:4:	C[3,5]-4:O[3]-2:C-3:H-1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CNO)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(CNO)(H){1|N<3>,1|O<1>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	58.9365	0.191	5	58.9365	0.037	5	58.7553	0.323	8	58.7553	0.323	8	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:3:1:	3:4:3:2:	4:4:	C[3,5]-4:O[3]-2:C-3:H-1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(COO)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3])	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)	C[3](C[3,5]C[5,6a]C[5]O[3])(O[3]C[3,5])(COO)(H){1|N<3>,1|O<1>,2|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]O[3]CH)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,2|C<3>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH){1|N<3>,1|O<1>,2|C<3>}	59.4877	0.000	1	59.4877	0.000	1	58.7553	0.323	8	58.7553	0.323	8	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:4:1:	4:3:2:2:	4:4:	C[3,5]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-3:O[3]-2:O[5]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H)	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5])	O[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]CH)	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H){1|H<1>,2|C<3>}	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5]){1|H<1>,1|O<1>}	O[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]CH){1|H<1>,2|C<3>}	57.9051	0.000	1	57.9051	0.000	1	57.9051	0.000	1	57.9051	0.000	1	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,5]-4:O[3]-2:C-4:H-1:	C[5,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3])	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH)	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H){1|H<1>,1|O<2>,4|C<4>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH){1|H<1>,1|O<2>,4|C<4>}	59.8454	0.000	2	59.7426	0.014	4	59.7426	0.014	4	59.7426	0.014	4	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,5]-4:O[3]-2:C-4:H-1:	C[5,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3])	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH)	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H){1|H<1>,1|O<2>,4|C<4>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3]){1|O<2>,2|C<3>,4|H<1>}	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH){1|H<1>,1|O<2>,4|C<4>}	59.6399	0.000	2	59.7426	0.014	4	59.7426	0.014	4	59.7426	0.014	4	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:4:4:	4:4:3:2:	4:4:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3])	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3]){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){1|C<4>,2|C<3>,2|H<1>}	59.3258	0.118	5	59.3258	0.014	5	59.3258	0.014	5	59.3258	0.014	5	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3])	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){1|C<4>,2|C<3>,3|H<1>}	59.6459	0.121	3	59.5889	0.023	4	59.5889	0.023	4	59.5889	0.023	4	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3])	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){3|C<4>,3|H<1>}	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3]){2|C<4>,2|O<2>,3|H<1>}	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){3|C<4>,3|H<1>}	59.4180	0.000	1	59.5889	0.023	4	59.5889	0.023	4	59.5889	0.023	4	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:3:2:1:	3:4:3:2:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[5,6a]-3:C[3]-4:C[5]-3:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3])	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)	C[3](C[3,5]C[5,6a]C[5]O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[6a]O[3]H)(C[5]N[5]O)(O[3]C[3]){1|C<4>,1|H<1>,4|C<3>}	O[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H){1|N<3>,1|O<1>,4|C<3>}	58.8691	0.000	1	58.8691	0.000	1	58.8691	0.000	1	58.8691	0.000	1	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:3:2:1:	4:3:3:2:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[5]-3:C[5]-3:O[3]-2:	C[3]-4:C[3,5]-4:	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3])	O[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3,5](C[3]C[6a]O[3]H)(C[5]N[5]C)(C[5]N[5]O)(O[3]C[3]){3|C<3>}	O[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	58.7504	0.425	3	58.7504	0.181	3	58.7504	0.181	3	58.7504	0.181	3	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:3:2:1:	4:4:2:2:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[5,5]-4:C[3]-4:O[5]-2:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H)	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3])	O[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]C[6a]H)	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3]){1|C<4>,1|O<2>,5|C<3>}	O[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]C[6a]H){1|N<3>,1|O<2>,4|C<3>}	56.5243	0.160	2	56.5243	0.026	2	56.5243	0.026	2	56.5243	0.026	2	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:3:2:4:	4:4:4:2:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[3]-4:C[3,5]-4:	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3)	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3])	O[3](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]2)	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3]){2|H<1>,4|C<3>}	O[3](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]2){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	58.7140	0.000	1	58.7140	0.000	1	58.7140	0.000	1	58.7140	0.000	1	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,5]	O[3]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]2O[3])(C[5]C[5]2O)(O[3]C[3,5])(H)	C[3,5](C[3]C[5]O[3]H)(C[5]C[5,5]CH)(C[5]C[5,5]HH)(O[3]C[3])	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[5]H)	C[3](C[3,5]C[5]2O[3])(C[5]C[5]2O)(O[3]C[3,5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[3,5](C[3]C[5]O[3]H)(C[5]C[5,5]CH)(C[5]C[5,5]HH)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]C[5]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	60.4365	0.000	1	60.4365	0.000	1	60.4365	0.000	1	60.4365	0.000	1	59.0109	0.658	37	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6,6]	O[3]	4:2:1:1:	3:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[6,6]-3:C[3x6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3]-4:	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|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>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	58.9949	0.577	2	58.9949	0.333	2	58.9949	0.333	2	58.9949	0.333	2	59.1557	0.186	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6,6]	O[3]	4:2:1:1:	4:3:4:2:	4:4:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3]-4:	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	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])	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	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>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	59.2833	0.509	3	59.2833	0.259	3	59.1377	0.265	9	59.1377	0.265	9	59.1557	0.186	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6,6]	O[3]	4:2:1:1:	4:3:4:2:	4:4:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3]-4:	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|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>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	59.4034	0.582	3	59.4034	0.339	3	59.1377	0.265	9	59.1377	0.265	9	59.1557	0.186	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6,6]	O[3]	4:2:1:1:	4:3:4:2:	4:4:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3]-4:	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)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])	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	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<4>,1|H<1>,1|O<2>,2|C<3>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	58.8568	0.000	1	58.6401	0.094	2	59.1377	0.265	9	59.1377	0.265	9	59.1557	0.186	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6,6]	O[3]	4:2:1:1:	4:3:4:2:	4:4:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3]-4:	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)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])	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|N<3>,1|O<1>,3|C<4>}	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>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|N<3>,1|O<1>,3|C<4>}	58.4233	0.000	1	58.6401	0.094	2	59.1377	0.265	9	59.1377	0.265	9	59.1557	0.186	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6,6]	O[3]	4:2:1:1:	4:3:4:2:	4:4:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3]-4:	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2	C[3,6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3,6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	58.8994	0.000	1	58.8994	0.000	1	59.1377	0.265	9	59.1377	0.265	9	59.1557	0.186	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3]-4:	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(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])	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<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]){1|C<3>,2|C<4>,3|H<1>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	59.2485	0.000	1	59.2485	0.000	1	59.2485	0.000	1	59.2485	0.000	1	59.1557	0.186	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3]-4:	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	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])	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]CH)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	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>}	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]CH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	59.2117	0.068	2	59.2117	0.005	2	59.2117	0.005	2	59.2860	0.019	3	59.1557	0.186	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,6,6]-4:O[3]-2:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[3,6,6]-4:C[3]-4:	C[3](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	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])	O[3](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]CH)	C[3](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	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>}	O[3](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]CH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	59.4348	0.000	1	59.4348	0.000	1	59.4348	0.000	1	59.2860	0.019	3	59.1557	0.186	15	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	3:3:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[3]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6,6a]C[6,6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,6]C[6,6a]C[6,6]C[3])(C[3]C[3,6]HH)	C[3](C[3,6]C[6,6a]C[6,6]O[3])(O[3]C[3,6])(H)2{1|O<2>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3]){1|H<1>,2|C<4>,3|C<3>}	O[3](C[3,6]C[6,6a]C[6,6]C[3])(C[3]C[3,6]HH){1|O<2>,3|C<3>}	59.8352	0.000	1	59.8352	0.000	1	59.8352	0.000	1	59.8352	0.000	1	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	3:4:3:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[6]-3:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){1|H<1>,1|O<1>,2|C<3>}	60.3956	0.000	1	60.3956	0.000	1	60.3956	0.000	1	60.3956	0.000	1	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	3:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[5a,6]-3:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[5a,6]C[6]O[3])(O[3]C[3,6])(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])	O[3](C[3,6]C[5a,6]C[3]C[6])(C[3]C[3,6]HH)	C[3](C[3,6]C[5a,6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	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>}	O[3](C[3,6]C[5a,6]C[3]C[6])(C[3]C[3,6]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	60.1748	0.000	1	60.1748	0.000	1	60.1748	0.000	1	60.1748	0.000	1	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:3:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	O[3](C[3,6]C[3x6]C[3]C[6])(C[3]C[3,6]HH)	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|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>}	O[3](C[3,6]C[3x6]C[3]C[6])(C[3]C[3,6]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	58.7769	0.009	3	58.7769	0.000	3	58.7769	0.000	3	59.1634	0.598	4	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:3:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[5,6,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[5,6,6]C[6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3])	O[3](C[3,6]C[5,6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3](C[3,6]C[5,6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[3](C[3,6]C[5,6,6]C[3]C[6])(C[3]C[3,6]HH){1|C<3>,2|C<4>,2|H<1>}	60.3230	0.000	1	60.3230	0.000	1	60.3230	0.000	1	59.1634	0.598	4	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:C[3]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[3,6,6]C[3,6]O[3])(O[3]C[3,6])(H)2	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,6]C[3,6,6]C[3,6]C[3])(C[3]C[3,6]HH)	C[3](C[3,6]C[3,6,6]C[3,6]O[3])(O[3]C[3,6])(H)2{2|O<2>,4|C<4>}	C[3,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,6]C[3,6,6]C[3,6]C[3])(C[3]C[3,6]HH){2|O<2>,4|C<4>}	59.4625	0.000	1	59.4625	0.000	1	59.4625	0.000	1	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[3,6](C[3]O[3]HH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|O<2>,2|C<4>,3|H<1>}	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>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){1|O<2>,2|C<4>,3|H<1>}	59.5977	0.000	1	59.5977	0.000	1	59.5977	0.000	1	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[3x6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(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])	O[3](C[3,6]C[3x6]C[3]C[6])(C[3]C[3,6]HH)	C[3](C[3,6]C[3x6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|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>}	O[3](C[3,6]C[3x6]C[3]C[6])(C[3]C[3,6]HH){1|H<1>,1|O<2>,4|C<4>}	60.0371	0.000	1	60.0371	0.000	1	60.0371	0.000	1	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[3]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[4,6]2O[3])(O[3]C[3,6])(H)2	C[3,6](C[4,6]C[3,6]C[4]2)2(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,6]C[4,6]2C[3])(C[3]C[3,6]HH)	C[3](C[3,6]C[4,6]2O[3])(O[3]C[3,6])(H)2{6|C<4>}	C[3,6](C[4,6]C[3,6]C[4]2)2(C[3]O[3]HH)(O[3]C[3]){2|O<2>,5|C<4>,8|H<1>}	O[3](C[3,6]C[4,6]2C[3])(C[3]C[3,6]HH){6|C<4>}	59.9778	0.745	2	59.9778	0.555	2	59.9778	0.555	2	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(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])	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]HH)	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|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>}	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]HH){1|O<2>,2|H<1>,3|C<4>}	59.3968	0.000	1	59.3968	0.000	1	59.3968	0.000	1	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(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])	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{2|H<1>,4|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>}	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){2|H<1>,4|C<4>}	59.8213	0.000	1	59.8213	0.000	1	59.3501	0.338	5	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(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])	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|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>}	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){1|H<1>,1|O<2>,4|C<4>}	59.2542	0.000	1	58.8170	0.382	2	59.3501	0.338	5	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(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])	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,1|O<2>,4|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>}	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){1|H<1>,1|O<2>,4|C<4>}	58.3799	0.000	1	58.8170	0.382	2	59.3501	0.338	5	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(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])	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|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>}	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){1|O<2>,2|H<1>,3|C<4>}	59.6474	0.054	2	59.6474	0.003	2	59.3501	0.338	5	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[3]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2	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])	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH)	C[3](C[3,6]C[6,6]C[6]O[3])(O[3]C[3,6])(H)2{1|H<1>,2|O<2>,3|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>}	O[3](C[3,6]C[6,6]C[3]C[6])(C[3]C[3,6]HH){1|H<1>,2|O<2>,3|C<4>}	59.5444	0.000	1	59.5444	0.000	1	59.5444	0.000	1	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(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])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{3|C<4>,3|H<1>}	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>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){3|C<4>,3|H<1>}	60.1532	0.008	2	60.1532	0.000	2	60.1532	0.000	2	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{1|O<2>,2|H<1>,3|C<4>}	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>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){1|O<2>,2|H<1>,3|C<4>}	57.4831	0.000	1	57.4831	0.000	1	58.5289	2.187	2	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:1:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:H-1:H-1:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2	C[3,6](C[6]C[5,6]HH)2(C[3]O[3]HH)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(H)2{2|C<4>,4|H<1>}	C[3,6](C[6]C[5,6]HH)2(C[3]O[3]HH)(O[3]C[3]){1|N<3>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH){2|C<4>,4|H<1>}	59.5747	0.000	1	59.5747	0.000	1	58.5289	2.187	2	59.5068	0.514	16	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:C-3:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(COO)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(COO)(H){2|C<3>,4|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>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){2|C<3>,4|C<4>}	59.0474	0.000	1	59.0474	0.000	1	59.0474	0.000	1	59.2033	0.049	2	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:3:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:C-3:H-1:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(COO)(H)	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])	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CH)	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(COO)(H){1|C<3>,5|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>}	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CH){1|C<3>,5|C<4>}	59.3592	0.000	1	59.3592	0.000	1	59.3592	0.000	1	59.2033	0.049	2	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:4:1:	3:4:4:2:	4:4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[6]-3:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H)	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	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>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	59.2177	0.000	1	59.2177	0.000	1	59.2177	0.000	1	59.2177	0.000	1	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:4:1:	4:3:2:2:	4:4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-3:O[3]-2:O[6]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H)	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6])	O[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	O[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH){1|C<4>,1|N<3>,1|O<1>}	58.9177	0.000	1	58.9177	0.000	1	58.9177	0.000	1	58.9177	0.000	1	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H){3|C<4>,3|H<1>}	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>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){3|C<4>,3|H<1>}	59.0729	0.000	1	59.0729	0.000	1	59.4394	0.086	6	59.4394	0.086	6	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){1|O<2>,2|C<4>,3|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>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){1|O<2>,2|C<4>,3|H<1>}	59.3291	0.079	3	59.3291	0.006	3	59.4394	0.086	6	59.4394	0.086	6	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:4:1:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]HH)2(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){2|C<4>,4|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>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){2|C<4>,4|H<1>}	59.7880	0.076	2	59.7880	0.006	2	59.4394	0.086	6	59.4394	0.086	6	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:4:4:	4:4:3:2:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[5,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(CH3)2	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3])	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CC)	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3]){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CC){1|H<1>,2|C<3>,2|C<4>}	59.7211	0.000	1	59.7211	0.000	1	59.7211	0.000	1	59.7211	0.000	1	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|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>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){3|C<4>,3|H<1>}	60.6479	0.000	1	60.6479	0.000	1	59.7522	1.605	2	59.6387	0.490	7	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HO)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{1|C<3>,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]HO)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	58.8564	0.000	1	58.8564	0.000	1	59.7522	1.605	2	59.6387	0.490	7	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	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>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){3|C<4>,3|H<1>}	59.3979	0.092	3	59.3979	0.008	3	59.5933	0.325	5	59.6387	0.490	7	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3)	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])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3){1|C<7>,2|C<4>,3|H<1>}	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>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){1|C<7>,2|C<4>,3|H<1>}	60.5926	0.000	1	60.5926	0.000	1	59.5933	0.325	5	59.6387	0.490	7	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:2:4:4:	4:4:4:2:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	C[3,6](C[6]C[6,6]HH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{2|C<4>,4|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>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){2|C<4>,4|H<1>}	59.1802	0.000	1	59.1802	0.000	1	59.5933	0.325	5	59.6387	0.490	7	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:3:2:1:	4:3:3:2:	4:4:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6]-3:N[6]-3:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3])	O[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]C[6a]H)	C[3](C[3,6]C[6]N[6]O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3]){1|O<1>,2|C<3>,2|C<4>}	O[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	57.0198	0.104	3	57.0198	0.011	3	57.0198	0.011	3	57.8033	1.158	5	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:3:2:1:	4:3:3:2:	4:4:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:N[6]-3:N[6]-3:O[3]-2:	C[3]-4:C[3,6]-4:	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[3,6](C[3]C[6a]O[3]H)(N[6]C[6a]C[6])2(O[3]C[3])	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2)	C[3](C[3,6]N[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){2|H<1>,6|C<3>}	C[3,6](C[3]C[6a]O[3]H)(N[6]C[6a]C[6])2(O[3]C[3]){1|C<4>,2|O<1>,6|C<3>}	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]N[6]2){6|C<3>}	58.9786	0.066	2	58.9786	0.004	2	58.9786	0.004	2	57.8033	1.158	5	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:3:2:1:	4:4:4:2:	4:4:	C[3,6]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[3]-4:C[3,6]-4:	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H)	C[3,6](C[3]C[6a]O[3]H)(C[6]C[6]HH)(C[6]C[6]HO)(O[3]C[3])	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]2)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,5|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>}	O[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	59.5120	0.000	1	59.5120	0.000	1	59.5120	0.000	1	59.5120	0.000	1	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:3:3:2:	4:3:4:2:	4:4:	C[3,6]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6]-3:C[6]-4:O[3]-2:	C[3]-4:C[3,6]-4:	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6])	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3])	O[3](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]2)	C[3](C[3,6]C[6]2O[3])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O[3]C[3,6]){1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3]){1|N<2>,5|C<3>}	O[3](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]2){1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	58.6168	0.000	1	58.6168	0.000	1	58.6168	0.000	1	58.6168	0.000	1	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3,6]	O[3]	4:4:2:1:	4:3:3:2:	4:4:	C[3,6]-4:C[5]-4:O[3]-2:H-1:	C[3]-4:C[6]-3:C[6]-3:O[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H)	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3])	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]C[5]H)	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H){2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]C[5]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	59.9662	0.000	1	59.9662	0.000	1	59.9662	0.000	1	59.9662	0.000	1	59.3194	0.708	49	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:3:4:2:	4:2:4:1:	4:4:	N[6a]-3:C[6a]-3:C[3]-4:O[3]-2:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H)	O[3](C[3]C[6a]N[6a]C[3])(C[3]C[3]CH)	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3]){1|O<1>,2|H<1>,5|C<3>}	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H){4|C<3>}	O[3](C[3]C[6a]N[6a]C[3])(C[3]C[3]CH){4|C<3>}	59.4097	0.000	1	59.4097	0.000	1	59.4097	0.000	1	59.4097	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:1:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(H)2{2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]HH){2|C<3>}	59.0211	0.000	1	59.0211	0.000	1	59.0211	0.000	1	59.0211	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.7456	0.000	1	58.7456	0.000	1	58.7986	0.241	23	58.7986	0.241	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.5609	0.086	2	58.8121	0.325	13	58.7986	0.241	23	58.7986	0.241	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|F<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.5840	0.000	1	58.8121	0.325	13	58.7986	0.241	23	58.7986	0.241	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|N<3>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.7490	0.000	1	58.8121	0.325	13	58.7986	0.241	23	58.7986	0.241	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.4409	0.451	4	58.8121	0.325	13	58.7986	0.241	23	58.7986	0.241	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.2676	0.614	5	58.8121	0.325	13	58.7986	0.241	23	58.7986	0.241	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Br<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.7870	0.000	1	58.8096	0.194	8	58.7986	0.241	23	58.7986	0.241	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.9389	0.000	1	58.8096	0.194	8	58.7986	0.241	23	58.7986	0.241	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.7918	0.517	6	58.8096	0.194	8	58.7986	0.241	23	58.7986	0.241	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.5884	0.000	1	58.5884	0.000	1	58.7986	0.241	23	58.7986	0.241	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:2:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:C-2:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(CN)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(CN){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	58.1469	0.000	1	58.1469	0.000	1	58.1693	0.001	2	58.2471	0.022	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:2:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:C-2:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(CN)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(CN){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	58.1916	0.000	1	58.1916	0.000	1	58.1693	0.001	2	58.2471	0.022	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:2:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:S-2:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(SC[3])	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(SC[3]){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS){2|C<3>}	58.3249	0.202	2	58.3249	0.041	2	58.3249	0.041	2	58.2471	0.022	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:C-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)2{2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	58.1148	0.017	2	58.1148	0.000	2	58.1148	0.000	2	57.7182	0.472	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:N-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(NCC)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(NCC){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN){2|C<3>}	56.9252	0.000	1	56.9252	0.000	1	56.9252	0.000	1	57.7182	0.472	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:3:4:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CN[6]O)(CH3)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CN[6]O)(CH3){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	59.3663	0.000	1	59.3663	0.000	1	59.3663	0.000	1	59.3663	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:4:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHH)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.8287	0.000	1	58.8287	0.000	1	58.9341	0.117	10	58.9341	0.117	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:4:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.1509	0.257	2	59.1509	0.066	2	58.9341	0.117	10	58.9341	0.117	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:4:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[5]HH)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[5]HH)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.9992	0.223	3	58.9992	0.050	3	58.9341	0.117	10	58.9341	0.117	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:4:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CF3)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CF3)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.1299	0.000	1	58.1299	0.000	1	58.9341	0.117	10	58.9341	0.117	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:4:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHO)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.1514	0.084	2	59.1514	0.007	2	58.9341	0.117	10	58.9341	0.117	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:4:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.7804	0.000	1	58.7804	0.000	1	58.9341	0.117	10	58.9341	0.117	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:4:2:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-2:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	58.7061	0.000	1	58.7061	0.000	1	58.7061	0.000	1	58.7061	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:4:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:N-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN){2|C<3>}	56.9740	0.000	1	56.9740	0.000	1	56.9740	0.000	1	57.4357	0.166	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:4:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:S-4:C-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(SC[3]OO)(CC[6a]O)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(SC[3]OO)(CC[6a]O){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS){2|C<3>}	57.6666	0.114	2	57.6666	0.013	2	57.6666	0.013	2	57.4357	0.166	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:2:4:4:	4:4:	C[5a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC)	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>}	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<3>,1|O<2>}	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC){1|C<3>,1|O<2>}	60.1906	0.385	3	60.1906	0.148	3	60.1906	0.148	3	60.1906	0.148	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:1:	4:4:2:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(CC[6a]HO)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(CC[6a]HO)(O[3]C[3])(H){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.8213	0.000	1	58.8213	0.000	1	58.8213	0.000	1	58.8213	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:3:	4:2:3:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	58.5234	0.985	2	58.5234	0.971	2	58.5234	0.971	2	58.5234	0.971	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:3:	4:3:2:3:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO)	O[3](C[3]C[6a]C[3]C)2	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O){1|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO){1|N<2>,2|H<1>,3|C<3>}	O[3](C[3]C[6a]C[3]C)2{1|N<2>,3|C<3>}	58.0989	0.000	1	58.0989	0.000	1	58.0989	0.000	1	58.0989	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:4:	4:2:1:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2{2|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH){2|C<3>}	60.0634	0.000	1	60.0634	0.000	1	60.0634	0.000	1	60.0634	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:4:	4:2:4:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	59.0987	0.301	3	59.0987	0.090	3	59.0663	0.073	8	59.0663	0.073	8	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:4:	4:2:4:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHO)(H){2|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	59.3263	0.000	1	59.3263	0.000	1	59.0663	0.073	8	59.0663	0.073	8	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:4:	4:2:4:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	59.1081	0.102	2	59.1081	0.010	2	59.0663	0.073	8	59.0663	0.073	8	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:4:	4:2:4:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CN[6]HH)(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CN[6]HH)(H){2|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	58.8458	0.386	2	58.8458	0.149	2	59.0663	0.073	8	59.0663	0.073	8	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:2:4:	4:2:4:4:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CH3)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CH3)2{2|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CC){2|C<3>}	59.0294	0.000	1	59.0294	0.000	1	59.0294	0.000	1	59.0294	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	3:4:4:2:	4:2:1:1:	4:4:	C[6a]-3:C[3]-4:C-4:O[3]-2:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3])	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3]){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2{2|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH){2|C<3>}	59.4920	0.000	1	59.4920	0.000	1	59.4920	0.000	1	59.4920	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(H)2	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(H)2{2|C<3>}	C[3](C[6a]C[5,6a]C[6a])(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,3|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]HH){2|C<3>}	59.9207	0.000	1	59.9207	0.000	1	59.9207	0.000	1	59.9207	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	3:4:2:4:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2{2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH){2|C<3>}	58.6890	0.000	1	58.6890	0.000	1	58.6890	0.000	1	58.6890	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	3:4:4:2:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[6a]-3:C[3]-4:C-4:O[3]-2:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3])	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(H)2{2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3]){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH){2|C<3>}	59.6889	0.000	1	59.6889	0.000	1	59.6889	0.000	1	59.6889	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(H)2	O[3](C[3]C[3]HH)2	C[3](C[3]O[3]HH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(H)2	O[3](C[3]C[3]HH)2	59.5505	0.305	4	59.5505	0.093	4	59.5505	0.093	4	59.5505	0.093	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	59.9455	0.000	1	59.9455	0.000	1	59.6197	0.434	19	59.6197	0.434	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CCCO)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CCCO)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	59.2000	0.000	1	59.2000	0.000	1	59.6197	0.434	19	59.6197	0.434	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	59.7345	0.467	4	59.7345	0.218	4	59.6197	0.434	19	59.6197	0.434	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CCHN)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CCHN)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	59.2669	0.608	2	59.2669	0.370	2	59.6197	0.434	19	59.6197	0.434	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CC[6]CH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CC[6]CH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	60.0984	0.000	1	60.0984	0.000	1	59.6197	0.434	19	59.6197	0.434	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	60.2086	0.645	4	60.2086	0.416	4	59.6197	0.434	19	59.6197	0.434	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CHHN)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CHHN)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	58.9591	0.000	1	58.9591	0.000	1	59.6197	0.434	19	59.6197	0.434	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	59.2531	0.745	5	59.2531	0.556	5	59.6197	0.434	19	59.6197	0.434	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:2:4:3:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(COO)	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(COO)	O[3](C[3]C[3]CC)(C[3]C[3]HH)	59.2767	0.098	2	59.2767	0.010	2	59.2767	0.010	2	59.2767	0.010	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]HH)	60.2287	0.344	6	60.2287	0.119	6	60.1679	0.125	7	60.1679	0.125	7	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CC[5]HO)(CCHH)	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CC[5]HO)(CCHH)	O[3](C[3]C[3]CC)(C[3]C[3]HH)	59.8028	0.000	1	59.8028	0.000	1	60.1679	0.125	7	60.1679	0.125	7	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:3:4:2:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C[3]-4:O[3]-2:	C[3]-4:C[3]-4:	C[3](C[3]C[5,6]C[6a]O[3])(O[3]C[3])(H)2	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])	O[3](C[3]C[5,6]C[6a]C[3])(C[3]C[3]HH)	C[3](C[3]C[5,6]C[6a]O[3])(O[3]C[3])(H)2{2|C<3>,3|C<4>}	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	O[3](C[3]C[5,6]C[6a]C[3])(C[3]C[3]HH){2|C<3>,3|C<4>}	59.3071	0.000	1	59.3071	0.000	1	59.3071	0.000	1	59.3071	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(H)2	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]HH)(O[3]C[3])(H)	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]HH)	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(H)2{1|N<4>,2|O<2>}	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]HH)(O[3]C[3])(H){2|C<3>,3|C<4>}	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]HH){1|N<4>,2|O<2>}	61.0409	0.000	1	61.0409	0.000	1	61.0409	0.000	1	59.7141	0.204	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(CN[6a]HH)(O[3]C[3])(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(CN[6a]HH)(O[3]C[3])(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	59.3773	0.191	2	59.3773	0.037	2	59.3773	0.037	2	59.7141	0.204	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[6]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(H)	O[3](C[3]C[3]C[6]H)(C[3]C[3]HH)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2{1|C<3>,2|C<4>}	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>}	O[3](C[3]C[3]C[6]H)(C[3]C[3]HH){1|C<3>,2|C<4>}	59.8417	0.226	4	59.8417	0.051	4	59.8417	0.051	4	59.7141	0.204	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[5,6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(H)2	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[3]O[3]HH)(O[3]C[3])(H)	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]HH)	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(H)2{3|C<4>}	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[3]O[3]HH)(O[3]C[3])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]HH){3|C<4>}	59.7843	0.000	1	59.7843	0.000	1	59.7843	0.000	1	59.7141	0.204	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2	C[3](C[5]C[5]N[5]O)(C[3]O[3]HH)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|N<3>,1|O<2>}	C[3](C[5]C[5]N[5]O)(C[3]O[3]HH)(O[3]C[3])(H){1|C<3>,2|C<4>,2|H<1>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|C<4>,1|N<3>,1|O<2>}	59.2342	0.000	1	59.2342	0.000	1	59.5286	0.035	5	59.7141	0.204	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2{1|O<2>,2|C<4>}	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|O<2>,2|C<4>}	59.5047	0.000	1	59.5047	0.000	1	59.5286	0.035	5	59.7141	0.204	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	59.6514	0.000	1	59.6347	0.009	3	59.5286	0.035	5	59.7141	0.204	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H){2|C<4>,2|H<1>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	59.6264	0.130	2	59.6347	0.009	3	59.5286	0.035	5	59.7141	0.204	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2	C[3](C[6]C[6]O[6]H)(C[3]O[3]HH)(O[3]C[3])(H)	O[3](C[3]C[3]C[6]H)(C[3]C[3]HH)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	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>}	O[3](C[3]C[3]C[6]H)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	59.4078	0.000	1	59.4078	0.000	1	59.4078	0.000	1	59.7141	0.204	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:3:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[5]-4:C[3]-4:O[3]-2:C-3:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	C[3](C[5]C[5,6]O[5]O)(C[3]O[3]HH)(O[3]C[3])(COO)	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|C<4>,2|O<2>}	C[3](C[5]C[5,6]O[5]O)(C[3]O[3]HH)(O[3]C[3])(COO){1|C<4>,1|N<3>,2|C<3>}	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|C<4>,2|O<2>}	59.3432	0.000	1	59.3432	0.000	1	59.3432	0.000	1	59.3432	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH)	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|C<3>,2|C<4>}	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH){2|C<4>,4|H<1>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH){1|C<3>,2|C<4>}	59.6014	0.000	1	59.6014	0.000	1	60.0527	0.159	4	59.8520	0.307	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH)	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|H<1>,2|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>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH){1|H<1>,2|C<4>}	60.2031	0.320	3	60.2031	0.102	3	60.0527	0.159	4	59.8520	0.307	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	C[3](C[5]C[5,6]C[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|H<1>,2|C<4>}	C[3](C[5]C[5,6]C[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|H<1>,2|C<4>}	60.9058	0.000	1	60.9058	0.000	1	59.7494	0.468	6	59.8520	0.307	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	C[3](C[5]C[5]N[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3)	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|N<3>,2|C<4>}	C[3](C[5]C[5]N[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|N<3>,2|C<4>}	59.9190	0.322	2	59.9190	0.104	2	59.7494	0.468	6	59.8520	0.307	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3)	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|O<2>,2|C<4>}	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|H<1>,2|C<4>}	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|O<2>,2|C<4>}	59.1258	0.031	2	59.1258	0.001	2	59.7494	0.468	6	59.8520	0.307	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|N<3>,2|C<4>}	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	59.5010	0.000	1	59.5010	0.000	1	59.7494	0.468	6	59.8520	0.307	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:1:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:H-1:H-1:	C[6]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	C[3](C[6]C[5,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|H<1>,2|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>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH){1|H<1>,2|C<4>}	59.6642	0.000	1	59.6642	0.000	1	59.6642	0.000	1	59.8520	0.307	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:2:2:	4:2:2:2:	4:4:	C[3]-4:O[3]-2:C-2:C-2:	C[3]-4:O[3]-2:C-2:C-2:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	O[3](C[3]C[3]CC)2	58.2275	0.181	2	58.2275	0.033	2	58.2275	0.033	2	58.2275	0.033	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:2:3:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:S-2:N-3:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a])(NOO)	C[3](C[3]O[3]NS)(CC[6a]HO)(O[3]C[3])(H)	O[3](C[3]C[3]CH)(C[3]C[3]NS)	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a])(NOO)	C[3](C[3]O[3]NS)(CC[6a]HO)(O[3]C[3])(H)	O[3](C[3]C[3]CH)(C[3]C[3]NS)	60.7733	0.000	1	60.7733	0.000	1	60.7733	0.000	1	60.7733	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.3718	0.064	2	58.9545	0.118	13	59.1820	0.347	23	59.1820	0.347	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|F<1>,1|H<1>,2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.9467	0.000	1	58.9545	0.118	13	59.1820	0.347	23	59.1820	0.347	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|N<3>,2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.2644	0.000	1	58.9545	0.118	13	59.1820	0.347	23	59.1820	0.347	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.9044	0.342	4	58.9545	0.118	13	59.1820	0.347	23	59.1820	0.347	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	58.7672	0.328	5	58.9545	0.118	13	59.1820	0.347	23	59.1820	0.347	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	C[3](C[6a]C[6a,6a]C[6a])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.3812	0.000	1	59.3812	0.000	1	59.1820	0.347	23	59.1820	0.347	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Br<1>,1|H<1>,2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.0873	0.000	1	59.5099	0.661	8	59.1820	0.347	23	59.1820	0.347	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|Cl<1>,1|H<1>,2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.1410	0.000	1	59.5099	0.661	8	59.1820	0.347	23	59.1820	0.347	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.6418	0.918	6	59.5099	0.661	8	59.1820	0.347	23	59.1820	0.347	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.3169	0.000	1	59.3169	0.000	1	59.1820	0.347	23	59.1820	0.347	23	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	3:4:2:3:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(COO){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	58.9372	0.230	2	58.9372	0.053	2	58.9372	0.053	2	58.9372	0.053	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCC)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]O)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCC)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]O)(H)	O[3](C[3]C[3]CH)2	58.7070	0.182	2	58.7070	0.033	2	58.8257	0.078	14	58.8257	0.078	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	O[3](C[3]C[3]CH)2	58.2756	0.000	1	58.2756	0.000	1	58.8257	0.078	14	58.8257	0.078	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCC)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCC)(H)	O[3](C[3]C[3]CH)2	58.8773	0.280	2	58.8773	0.078	2	58.8257	0.078	14	58.8257	0.078	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CNO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CSiC)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CNO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CSiC)(H)	O[3](C[3]C[3]CH)2	58.9596	0.230	2	58.9596	0.053	2	58.8257	0.078	14	58.8257	0.078	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCH)(H)	O[3](C[3]C[3]CH)2	59.2841	0.000	1	59.2841	0.000	1	58.8257	0.078	14	58.8257	0.078	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	O[3](C[3]C[3]CH)2	58.9309	0.193	4	58.9309	0.037	4	58.8257	0.078	14	58.8257	0.078	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CSiC)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CNO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CSiC)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CNO)(H)	O[3](C[3]C[3]CH)2	58.5942	0.024	2	58.5942	0.001	2	58.8257	0.078	14	58.8257	0.078	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	59.0656	0.000	1	59.0656	0.000	1	59.1977	0.043	5	59.3341	0.146	6	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6a]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6a]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CH)2	58.9244	0.000	1	58.9244	0.000	1	59.1977	0.043	5	59.3341	0.146	6	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CNO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CNO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CH)2	59.3384	0.152	2	59.3384	0.023	2	59.1977	0.043	5	59.3341	0.146	6	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	59.3215	0.000	1	59.3215	0.000	1	59.1977	0.043	5	59.3341	0.146	6	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:Si-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]SiH)(O[3]C[3])(CCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(SiC3)(H)	O[3](C[3]C[3]SiH)(C[3]C[3]CH)	C[3](C[3]O[3]SiH)(O[3]C[3])(CCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(SiC3)(H)	O[3](C[3]C[3]SiH)(C[3]C[3]CH)	60.0162	0.000	1	60.0162	0.000	1	60.0162	0.000	1	59.3341	0.146	6	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.3440	0.112	3	59.3440	0.013	3	59.3597	0.299	9	59.3597	0.299	9	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.6540	0.000	1	60.6540	0.000	1	59.3597	0.299	9	59.3597	0.299	9	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5a]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5a]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.3559	0.000	1	59.3559	0.000	1	59.3597	0.299	9	59.3597	0.299	9	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[6a]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[6a]O)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.0488	0.318	4	59.0488	0.101	4	59.3597	0.299	9	59.3597	0.299	9	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:3:2:1:	4:4:	C[3]-4:O[3]-2:C-3:Cl-1:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(Cl)	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(Cl){2|C<3>}	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC){2|C<3>}	61.0935	0.124	2	61.0935	0.015	2	61.1389	0.014	3	61.1389	0.014	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:3:2:1:	4:4:	C[3]-4:O[3]-2:C-3:Cl-1:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(Cl)	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(Cl){2|C<3>}	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC){2|C<3>}	61.2298	0.000	1	61.2298	0.000	1	61.1389	0.014	3	61.1389	0.014	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCO)(H)	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCO)(H)	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(H)	O[3](C[3]C[3]CH)2	59.3378	0.000	1	59.3378	0.000	1	59.3378	0.000	1	59.0457	0.040	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCH)(H)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3]2H)(C[3]C[3]CH)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|H<1>}	O[3](C[3]C[3]2H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	58.8983	0.000	1	58.8983	0.000	1	58.8983	0.000	1	59.0457	0.040	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[5,6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(COO)(H)	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(COO)(H){1|H<1>,2|C<4>}	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]CH){1|H<1>,2|C<4>}	59.0020	0.000	1	58.9733	0.002	2	58.9733	0.002	2	59.0457	0.040	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C[5,6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(COO)(H)	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(COO)(H){1|H<1>,2|C<4>}	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]CH){1|H<1>,2|C<4>}	58.9445	0.000	1	58.9733	0.002	2	58.9733	0.002	2	59.0457	0.040	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:1:	4:4:2:3:	4:4:	C[3]-4:O[3]-2:C-3:H-1:	C-4:C[3]-4:O[3]-2:C-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[6a]O)(H)	C[3](CC[5a]C[6a]H)(C[3]O[3]CH)(O[3]C[3])(CCO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[6a]O)(H)	C[3](CC[5a]C[6a]H)(C[3]O[3]CH)(O[3]C[3])(CCO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.5759	0.000	1	59.5759	0.000	1	59.5759	0.000	1	59.5759	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:2:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:C-2:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(CN)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	58.8954	0.000	1	58.8954	0.000	1	58.5829	0.195	2	59.0643	0.463	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:2:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:C-2:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(CN)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	58.2703	0.000	1	58.2703	0.000	1	58.5829	0.195	2	59.0643	0.463	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:2:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:S-2:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(SC[3])	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(SC[3]){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS){2|C<3>}	59.5457	0.517	2	59.5457	0.268	2	59.5457	0.268	2	59.0643	0.463	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:3:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:C-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)2{2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	59.0861	0.009	2	59.0861	0.000	2	59.0861	0.000	2	59.5998	0.792	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:3:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:N-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(NCC)	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(NCC){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN){2|C<3>}	60.6273	0.000	1	60.6273	0.000	1	60.6273	0.000	1	59.5998	0.792	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:3:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-3:C-3:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]O)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]O)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.0370	0.023	2	59.0370	0.001	2	59.0370	0.001	2	59.6737	0.867	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:3:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:S-3:C-3:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a]O)(COO)	C[3](C[3]O[3]CS)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]CS)	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a]O)(COO)	C[3](C[3]O[3]CS)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]CS)	60.3105	0.989	2	60.3105	0.977	2	60.3105	0.977	2	59.6737	0.867	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:4:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-3:C-4:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CN[6]O)(CH3)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CN[6]O)(CH3){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	59.4807	0.000	1	59.4807	0.000	1	59.4807	0.000	1	59.4807	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]O)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]O)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.8490	0.000	1	59.8490	0.000	1	59.8490	0.000	1	59.8490	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:3:4:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]O)(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]O)(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)2	59.7350	0.000	1	59.7350	0.000	1	59.7350	0.000	1	59.7350	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	3:3:4:2:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	N[6a]-3:C[6a]-3:C[3]-4:O[3]-2:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H)	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])	O[3](C[3]C[6a]N[6a]C[3])(C[3]C[3]CH)	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H){4|C<3>}	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3]){1|O<1>,2|H<1>,5|C<3>}	O[3](C[3]C[6a]N[6a]C[3])(C[3]C[3]CH){4|C<3>}	58.2606	0.000	1	58.2606	0.000	1	58.2606	0.000	1	58.2606	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHH)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHH)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,3|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.6724	0.000	1	59.6724	0.000	1	59.8725	0.081	10	59.8725	0.081	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.8326	0.288	2	59.8326	0.083	2	59.8725	0.081	10	59.8725	0.081	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[5]HH)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[5]HH)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.7537	0.129	3	59.7537	0.017	3	59.8725	0.081	10	59.8725	0.081	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CF3)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CF3)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	60.1028	0.000	1	60.1028	0.000	1	59.8725	0.081	10	59.8725	0.081	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHO)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.7446	0.024	2	59.7446	0.001	2	59.8725	0.081	10	59.8725	0.081	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	60.5345	0.000	1	60.5345	0.000	1	59.8725	0.081	10	59.8725	0.081	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	3:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	59.8622	0.439	3	59.8622	0.193	3	59.7941	0.077	8	59.7941	0.077	8	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	3:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	59.7086	0.159	2	59.7086	0.025	2	59.7941	0.077	8	59.7941	0.077	8	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	3:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHO)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHO)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	59.6658	0.000	1	59.6658	0.000	1	59.7941	0.077	8	59.7941	0.077	8	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	3:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CN[6]HH)(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CN[6]HH)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	59.8416	0.286	2	59.8416	0.082	2	59.7941	0.077	8	59.7941	0.077	8	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	59.4122	0.000	1	59.4122	0.000	1	59.6116	1.531	19	59.6116	1.531	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCCO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	59.8454	0.000	1	59.8454	0.000	1	59.6116	1.531	19	59.6116	1.531	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	60.0500	0.799	4	60.0500	0.638	4	59.6116	1.531	19	59.6116	1.531	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	60.4228	0.365	2	60.4228	0.133	2	59.6116	1.531	19	59.6116	1.531	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CC[6]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CC[6]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	59.1716	0.000	1	59.1716	0.000	1	59.6116	1.531	19	59.6116	1.531	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	57.6784	0.104	4	57.6784	0.011	4	59.6116	1.531	19	59.6116	1.531	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	60.4828	0.000	1	60.4828	0.000	1	59.6116	1.531	19	59.6116	1.531	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	60.3899	1.045	5	60.3899	1.091	5	59.6116	1.531	19	59.6116	1.531	19	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCO)(H)	O[3](C[3]C[3]CH)2	59.0643	0.000	1	59.0643	0.000	1	59.0839	0.022	5	58.9261	0.167	6	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(COO)(H)	O[3](C[3]C[3]CH)2	59.0035	0.000	1	59.0035	0.000	1	59.0839	0.022	5	58.9261	0.167	6	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[3]CH)2	59.3055	0.000	1	59.3055	0.000	1	59.0839	0.022	5	58.9261	0.167	6	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CNO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CNO)(H)	O[3](C[3]C[3]CH)2	59.0232	0.156	2	59.0232	0.024	2	59.0839	0.022	5	58.9261	0.167	6	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:Si-4:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(SiC3)(H)	C[3](C[3]O[3]SiH)(O[3]C[3])(CCH)(H)	O[3](C[3]C[3]SiH)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(SiC3)(H)	C[3](C[3]O[3]SiH)(O[3]C[3])(CCH)(H)	O[3](C[3]C[3]SiH)(C[3]C[3]CH)	58.1369	0.000	1	58.1369	0.000	1	58.1369	0.000	1	58.9261	0.167	6	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:3:3:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-3:C-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]O)(COO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]O)(COO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.9595	0.053	2	58.9595	0.003	2	58.9595	0.003	2	58.3842	0.550	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:3:3:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:S-3:C-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CS)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a]O)(COO)	O[3](C[3]C[3]CH)(C[3]C[3]CS)	C[3](C[3]O[3]CS)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a]O)(COO)	O[3](C[3]C[3]CH)(C[3]C[3]CS)	57.8090	0.569	2	57.8090	0.324	2	57.8090	0.324	2	58.3842	0.550	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:3:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]O)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]O)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.2336	0.000	1	60.2336	0.000	1	60.2336	0.000	1	60.2336	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	60.2744	0.007	2	60.2744	0.000	2	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(H)	O[3](C[3]C[3]CH)2	59.7745	0.000	1	59.7745	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	59.2246	0.140	2	59.2246	0.020	2	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	O[3](C[3]C[3]CH)2	59.3420	0.000	1	59.3420	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	O[3](C[3]C[3]CH)2	59.5115	0.008	2	59.5115	0.000	2	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CH)2	59.8952	0.057	2	59.8952	0.003	2	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	59.5660	0.335	17	59.5660	0.113	17	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	O[3](C[3]C[3]CH)2	60.2673	0.000	1	60.2673	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	59.8198	0.000	1	59.8198	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	O[3](C[3]C[3]CH)2	59.7682	0.139	2	59.7682	0.019	2	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	O[3](C[3]C[3]CH)2	59.8399	0.255	3	59.8399	0.065	3	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	O[3](C[3]C[3]CH)2	59.6178	0.299	2	59.6178	0.089	2	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]CH)2	59.5612	0.000	1	59.5612	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	59.4121	0.000	1	59.4121	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	59.2305	0.291	2	59.2305	0.085	2	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	59.5258	0.000	1	59.5258	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	O[3](C[3]C[3]CH)2	60.2375	0.395	2	60.2375	0.156	2	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	59.3876	0.138	2	59.3876	0.019	2	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	O[3](C[3]C[3]CH)2	60.0531	0.000	1	60.0531	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	O[3](C[3]C[3]CH)2	59.4631	0.000	1	59.4631	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CH)2	60.0401	0.000	1	60.0401	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	59.3014	0.287	2	59.3014	0.083	2	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CH)2	59.5921	0.000	1	59.5921	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	59.3047	0.197	3	59.3047	0.039	3	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]HH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]HH)(H)	O[3](C[3]C[3]CH)2	59.7387	0.000	1	59.7387	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	59.1126	0.270	2	59.1126	0.073	2	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[6]HH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[6]HH)(H)	O[3](C[3]C[3]CH)2	59.8294	0.000	1	59.8294	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CClCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CClCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]CH)2	59.4748	0.598	3	59.4748	0.358	3	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CH)2	59.6254	0.000	1	59.6254	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CClCH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CClCH)(H)	O[3](C[3]C[3]CH)2	60.2989	0.781	3	60.2989	0.610	3	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	O[3](C[3]C[3]CH)2	59.4802	0.000	1	59.4802	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CN[6]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CN[6]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	O[3](C[3]C[3]CH)2	59.6553	0.000	1	59.6553	0.000	1	59.6370	0.163	67	59.6370	0.163	67	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:3:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.3413	0.122	2	60.3413	0.015	2	59.3642	0.484	12	59.3642	0.484	12	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:3:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(CCO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(CCO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.3918	0.000	1	59.3918	0.000	1	59.3642	0.484	12	59.3642	0.484	12	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:3:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.4386	0.447	5	59.4386	0.200	5	59.3642	0.484	12	59.3642	0.484	12	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:3:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.7757	0.629	4	58.7757	0.395	4	59.3642	0.484	12	59.3642	0.484	12	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.4916	0.000	1	59.4916	0.000	1	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.8650	0.000	1	59.8650	0.000	1	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.8890	0.319	16	59.8890	0.102	16	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.2405	0.326	10	59.2405	0.106	10	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.0894	0.183	6	60.0894	0.034	6	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.1802	0.212	3	60.1802	0.045	3	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(CCCH)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(CCCH)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.1258	0.000	1	59.1258	0.000	1	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.6667	0.000	1	59.6667	0.000	1	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.0421	0.381	6	60.0421	0.145	6	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.9918	0.120	2	59.9918	0.014	2	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.5584	0.106	5	59.5584	0.011	5	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.5794	0.285	2	59.5794	0.081	2	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HO)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HO)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.1641	0.000	1	60.1641	0.000	1	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CHHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHN)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.8473	0.000	1	60.8473	0.000	1	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CHHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHO)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.0637	0.195	5	60.0637	0.038	5	59.8094	0.182	61	59.8094	0.182	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(CH3)(H)	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]CH)	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(CH3)(H){1|N<4>,2|O<2>}	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,3|C<4>}	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]CH){1|N<4>,2|O<2>}	60.9242	0.000	1	60.9242	0.000	1	60.9242	0.000	1	59.5975	0.266	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCHH)(H)	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCHH)(H){1|O<2>,2|C<4>}	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,4|C<4>}	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CH){1|O<2>,2|C<4>}	59.9040	0.000	1	59.9040	0.000	1	59.9040	0.000	1	59.5975	0.266	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C[3](C[3]O[3]CH)(CC[6a]HO)(O[3]C[3])(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C[3](C[3]O[3]CH)(CC[6a]HO)(O[3]C[3])(H)	O[3](C[3]C[3]CH)2	59.2125	0.019	2	59.2125	0.000	2	59.2125	0.000	2	59.5975	0.266	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCHH)(H)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3]2H)(C[3]C[3]CH)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<3>,1|H<1>}	O[3](C[3]C[3]2H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	59.5416	0.000	1	59.5416	0.000	1	59.5416	0.000	1	59.5975	0.266	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[4]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H)	C[3](C[4]C[4,6a]C[4]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH)	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[3](C[4]C[4,6a]C[4]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|H<1>,2|C<3>}	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH){1|C<3>,1|C<4>,1|H<1>}	59.7965	0.000	1	59.7965	0.000	1	59.5015	0.072	3	59.5975	0.266	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[4]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H)	C[3](C[4]C[4]2Br)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH)	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H){1|Br<1>,1|C<3>,1|C<4>}	C[3](C[4]C[4]2Br)(C[3]O[3]CH)(O[3]C[3])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH){1|Br<1>,1|C<3>,1|C<4>}	59.3539	0.115	2	59.3539	0.013	2	59.5015	0.072	3	59.5975	0.266	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCCH)(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCCH)(H){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H){1|O<2>,3|C<4>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	59.7760	0.000	1	59.7760	0.000	1	59.4295	0.240	2	59.5975	0.266	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CN[5]HH)(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CN[5]HH)(H){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	59.0830	0.000	1	59.0830	0.000	1	59.4295	0.240	2	59.5975	0.266	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]H)(O[3]C[3])(CCHO)(H)	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[3]C[6]H)(C[3]C[3]CH)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(CCHO)(H){1|C<4>,1|H<1>,1|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>}	O[3](C[3]C[3]C[6]H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	59.4138	0.000	1	59.4138	0.000	1	59.4138	0.000	1	59.5975	0.266	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:3:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O[3]-2:C-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(CC[6a]CN)(O[3]C[3])(CNO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(CC[6a]CN)(O[3]C[3])(CNO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.1937	0.000	1	58.1937	0.000	1	58.1937	0.000	1	57.7956	0.317	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:3:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:S-4:O[3]-2:S-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]SS)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(SC[6a]OO)(O[3]C[3])(SC[6a]O)	O[3](C[3]C[3]CH)(C[3]C[3]SS)	C[3](C[3]O[3]SS)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(SC[6a]OO)(O[3]C[3])(SC[6a]O)	O[3](C[3]C[3]CH)(C[3]C[3]SS)	57.3976	0.000	1	57.3976	0.000	1	57.3976	0.000	1	57.7956	0.317	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.6221	0.040	2	59.6221	0.002	2	59.6221	0.002	2	59.8891	0.139	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCCH)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2O)(O[3]C[3])(CH3)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>}	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>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|C<3>,1|C<4>,1|O<2>}	59.7756	0.408	3	59.7756	0.167	3	59.9147	0.162	8	59.8891	0.139	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H){1|H<1>,2|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>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	60.6125	0.000	1	60.0368	0.225	4	59.9147	0.162	8	59.8891	0.139	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H){1|H<1>,2|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>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	59.8449	0.342	3	60.0368	0.225	4	59.9147	0.162	8	59.8891	0.139	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CH3)(H)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CH3)(H){1|H<1>,2|C<4>}	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>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	59.8437	0.000	1	59.8437	0.000	1	59.9147	0.162	8	59.8891	0.139	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:1:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CHHO)(H)	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(CH3)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	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>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	60.2180	0.000	1	60.2180	0.000	1	60.2180	0.000	1	59.8891	0.139	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:2:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-2:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	59.3446	0.000	1	59.3446	0.000	1	59.3446	0.000	1	59.3446	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:2:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:O-2:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CF3)(OC)	C[3](C[3]O[3]CO)(CC[6a]HN)(O[3]C[3])(H)	O[3](C[3]C[3]CH)(C[3]C[3]CO)	C[3](C[3]O[3]CH)(O[3]C[3])(CF3)(OC)	C[3](C[3]O[3]CO)(CC[6a]HN)(O[3]C[3])(H)	O[3](C[3]C[3]CH)(C[3]C[3]CO)	61.2840	0.000	1	61.2840	0.000	1	61.2840	0.000	1	61.2840	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:2:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:C-2:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	O[3](C[3]C[3]CC)2	58.4827	0.000	1	58.4827	0.000	1	58.4827	0.000	1	58.4827	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:3:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:N-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO)	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CN)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN){2|C<3>}	60.5114	0.000	1	60.5114	0.000	1	60.5114	0.000	1	59.7155	0.518	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:3:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:S-4:C-3:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(SC[3]OO)(CC[6a]O)	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(SC[3]OO)(CC[6a]O){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CS)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS){2|C<3>}	59.3175	0.291	2	59.3175	0.085	2	59.3175	0.085	2	59.7155	0.518	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:3:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	58.7377	0.216	2	58.7377	0.047	2	58.7377	0.047	2	58.7377	0.047	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:3:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHO)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHO)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	57.9990	0.007	2	57.9990	0.000	2	59.2606	1.145	12	59.2606	1.145	12	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:3:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(CCO)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(CCO)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.6072	0.000	1	58.6072	0.000	1	59.2606	1.145	12	59.2606	1.145	12	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:3:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.0716	0.454	5	59.0716	0.206	5	59.2606	1.145	12	59.2606	1.145	12	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:3:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.2910	1.116	4	60.2910	1.246	4	59.2606	1.145	12	59.2606	1.145	12	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:3:	4:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CCH)	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CCH)	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	O[3](C[3]C[3]CC)2	59.0192	0.000	1	59.0192	0.000	1	59.0192	0.000	1	59.0192	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	3:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[5a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<3>,1|O<2>}	C[3](C[5a]C[5a]O[5a])(C[3]O[3]CC)(O[3]C[3])(H){1|H<1>,2|C<3>}	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC){1|C<3>,1|O<2>}	58.5407	0.607	3	58.5407	0.369	3	58.5407	0.369	3	58.5407	0.369	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	3:4:2:4:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CH3)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CH3)2{2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CC){2|C<3>}	57.7444	0.000	1	57.7444	0.000	1	57.7444	0.000	1	57.7444	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	59.2990	0.383	6	59.2990	0.146	6	59.2567	0.135	7	59.2567	0.135	7	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CC[5]HO)(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CC[5]HO)(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	59.0024	0.000	1	59.0024	0.000	1	59.2567	0.135	7	59.2567	0.135	7	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.6493	0.146	3	58.6493	0.021	3	58.7475	0.114	9	58.7475	0.114	9	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5a]O)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5a]O)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.5737	0.000	1	58.5737	0.000	1	58.7475	0.114	9	58.7475	0.114	9	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.8673	0.501	4	58.8673	0.251	4	58.7475	0.114	9	58.7475	0.114	9	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:3:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	C[3](C[3]O[3]CC)(O[3]C[3])(CCO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	C[3](C[3]O[3]CC)(O[3]C[3])(CCO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.7363	0.000	1	58.7363	0.000	1	58.7475	0.114	9	58.7475	0.114	9	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:3:4:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]O)(CCHH)	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]O)(CCHH)	O[3](C[3]C[3]CC)2	58.6962	0.000	1	58.6962	0.000	1	58.6962	0.000	1	58.6962	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.3041	0.000	1	59.3041	0.000	1	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.3340	0.298	16	59.3340	0.089	16	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.0462	0.440	6	59.0462	0.194	6	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.2460	0.121	5	59.2460	0.015	5	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.2728	0.084	2	59.2728	0.007	2	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHN)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHN)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.4628	0.000	1	58.4628	0.000	1	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.8372	0.183	5	58.8372	0.034	5	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.2057	0.000	1	59.2057	0.000	1	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.5543	0.896	10	59.5543	0.802	10	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.2236	0.102	6	59.2236	0.010	6	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.9416	0.347	3	58.9416	0.121	3	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(CCCH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(CCCH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.1379	0.000	1	60.1379	0.000	1	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HO)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HO)(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.6666	0.000	1	59.6666	0.000	1	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	C[3](C[3]O[3]CC)(O[3]C[3])(CCHN)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	C[3](C[3]O[3]CC)(O[3]C[3])(CCHN)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.4754	0.000	1	59.4754	0.000	1	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.2452	0.023	2	59.2452	0.001	2	59.2629	0.235	61	59.2629	0.235	61	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	O[3](C[3]C[3]CC)2	59.0338	0.242	10	59.0338	0.059	10	59.0338	0.059	10	59.0338	0.059	10	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCCH)(CCHH)	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCCH)(CCHH){1|O<2>,2|C<4>}	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CC)(O[3]C[3])(H){1|O<2>,4|C<4>}	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CC){1|O<2>,2|C<4>}	58.9729	0.151	2	58.9729	0.023	2	58.9729	0.023	2	59.1018	0.100	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(CC[3,6]HO)(O[3]C[3])(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C[3](C[3]O[3]CC)(CC[3,6]HO)(O[3]C[3])(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.1884	0.000	1	59.1884	0.000	1	59.1832	0.049	4	59.1018	0.100	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.2976	0.258	2	59.2976	0.066	2	59.1832	0.049	4	59.1018	0.100	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.9491	0.000	1	58.9491	0.000	1	59.1832	0.049	4	59.1018	0.100	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[3]2H)(C[3]C[3]CC)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[3]O[3]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>}	O[3](C[3]C[3]2H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	58.2475	0.000	1	58.2475	0.000	1	58.2475	0.000	1	59.1018	0.100	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	59.1690	0.259	29	59.1386	0.090	39	59.1219	0.096	42	59.1018	0.100	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<4>,1|H<1>,2|C<3>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	59.0505	0.398	10	59.1386	0.090	39	59.1219	0.096	42	59.1018	0.100	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	58.8779	0.000	1	58.8779	0.000	1	59.1219	0.096	42	59.1018	0.100	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CH3)2	C[3](C[5]C[5]O[5]O)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CH3)2{1|C<4>,2|O<2>}	C[3](C[5]C[5]O[5]O)(C[3]O[3]CC)(O[3]C[3])(H){2|C<4>,2|H<1>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,2|O<2>}	59.3533	0.000	1	59.3533	0.000	1	59.1219	0.096	42	59.1018	0.100	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CHHO)(CH3)	C[3](C[5]C[5]N[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CHHO)(CH3){1|C<4>,1|H<1>,1|N<3>}	C[3](C[5]C[5]N[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|N<3>}	58.4830	0.000	1	58.4830	0.000	1	59.1219	0.096	42	59.1018	0.100	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[6,6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6,6]O[3]H)(O[3]C[3])(CH3)2	C[3](C[6,6]C[3x6]2H)(C[3]O[3]CC)(O[3]C[3])(H)	O[3](C[3]C[6,6]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[6,6]O[3]H)(O[3]C[3])(CH3)2{1|H<1>,2|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>}	O[3](C[3]C[6,6]C[3]H)(C[3]C[3]CC){1|H<1>,2|C<4>}	59.0409	0.000	1	59.0409	0.000	1	59.0409	0.000	1	59.1018	0.100	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:1:	4:2:3:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:Cl-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(Cl)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[6a]O)(Cl){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC){2|C<3>}	56.8460	0.165	2	56.8460	0.027	2	56.9436	0.042	3	56.9436	0.042	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:1:	4:2:3:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:Cl-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(Cl)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC)	C[3](C[3]O[3]ClC)(C[6a]C[6a]2)(O[3]C[3])(H){2|C<3>,2|H<1>}	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(Cl){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]ClC){2|C<3>}	57.1389	0.000	1	57.1389	0.000	1	56.9436	0.042	3	56.9436	0.042	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:1:	4:3:2:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]H)2{4|C<3>}	59.0750	0.252	4	59.0750	0.064	4	59.0750	0.064	4	59.0750	0.064	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:1:	4:3:2:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	58.4609	0.000	1	58.4609	0.000	1	58.6577	0.077	2	58.0634	1.098	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:1:	4:3:2:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	58.8545	0.000	1	58.8545	0.000	1	58.6577	0.077	2	58.0634	1.098	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:1:	4:3:2:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:N-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO)	O[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]N)	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]N){4|C<3>}	56.8747	0.000	1	56.8747	0.000	1	56.8747	0.000	1	58.0634	1.098	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:1:	4:3:2:4:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	58.8807	0.000	1	58.8807	0.000	1	59.1645	0.161	2	59.1645	0.161	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:1:	4:3:2:4:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	59.4483	0.000	1	59.4483	0.000	1	59.1645	0.161	2	59.1645	0.161	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3]-4:C[5]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(C[5]C[5]2)(O[3]C[3])(H)	C[3](C[3]C[3]O[3]H)(C[3]C[5]O[3]H)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]2H)	C[3](C[3]C[3]O[3]H)(C[5]C[5]2)(O[3]C[3])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[3](C[3]C[3]O[3]H)(C[3]C[5]O[3]H)(O[3]C[3])(H){2|C<3>,2|C<4>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]2H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	59.2209	0.000	1	59.2209	0.000	1	59.2209	0.000	1	60.1810	1.844	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:1:	4:4:2:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[6a]O[3]H)(O[3]C[3])(H)	O[3](C[3]B[5,5]C[3]H)(C[3]C[6a]C[3]H)	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[6a]O[3]H)(O[3]C[3])(H){3|C<4>,4|C<3>}	O[3](C[3]B[5,5]C[3]H)(C[3]C[6a]C[3]H){1|N<4>,2|C<3>,2|O<2>}	61.1411	0.000	1	61.1411	0.000	1	61.1411	0.000	1	60.1810	1.844	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:3:	3:4:2:3:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[6a]-3:C[3]-4:O[3]-2:C-3:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO)	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O)	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CCO){1|N<2>,2|H<1>,3|C<3>}	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]O[3]C)(O[3]C[3])(CC[6a]O){1|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]C)2{1|N<2>,3|C<3>}	58.5325	0.000	1	58.5325	0.000	1	58.5325	0.000	1	58.5325	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:3:	4:3:2:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CNO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	59.4950	0.000	1	59.4950	0.000	1	59.4807	0.000	2	59.9072	0.546	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:3:	4:3:2:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(COO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	59.4664	0.000	1	59.4664	0.000	1	59.4807	0.000	2	59.9072	0.546	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:3:	4:3:2:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:N-3:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO)	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]N)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]N)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]N){4|C<3>}	60.7602	0.000	1	60.7602	0.000	1	60.7602	0.000	1	59.9072	0.546	3	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:4:	4:3:2:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	59.5240	0.000	1	59.5240	0.000	1	59.3556	0.057	2	59.3556	0.057	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:4:	4:3:2:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(H){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	59.1872	0.000	1	59.1872	0.000	1	59.3556	0.057	2	59.3556	0.057	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:4:	4:3:2:4:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]C)2{4|C<3>}	59.6322	0.000	1	59.6322	0.000	1	58.8242	0.310	4	58.8242	0.310	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:4:	4:3:2:4:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3)	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){2|H<1>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3){2|H<1>,4|C<3>}	O[3](C[3]C[6a]C[3]C)2{4|C<3>}	58.3588	0.000	1	58.3588	0.000	1	58.8242	0.310	4	58.8242	0.310	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:2:4:	4:3:2:4:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){1|H<1>,1|O<2>,4|C<3>}	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){1|H<1>,1|O<2>,4|C<3>}	O[3](C[3]C[6a]C[3]C)2{4|C<3>}	58.6529	0.029	2	58.6529	0.001	2	58.8242	0.310	4	58.8242	0.310	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:3:2:	4:3:3:2:	4:4:	C[3]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[6a]-3:C[6a]-3:O[3]-2:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3])	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3])	O[3](C[3]C[6a]2C[3])2	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3]){10|C<3>,2|H<1>}	C[3](C[3]C[6a]2O[3])(C[6a]C[6a]2)2(O[3]C[3]){10|C<3>,2|H<1>}	O[3](C[3]C[6a]2C[3])2{8|C<3>}	58.3495	0.188	2	58.3495	0.035	2	58.3495	0.035	2	58.3495	0.035	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:3:4:2:	4:2:1:1:	4:4:	C[5,6]-4:C[6a]-3:C[3]-4:O[3]-2:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])	C[3](C[3]C[5,6]C[6a]O[3])(O[3]C[3])(H)2	O[3](C[3]C[5,6]C[6a]C[3])(C[3]C[3]HH)	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[3](C[3]C[5,6]C[6a]O[3])(O[3]C[3])(H)2{2|C<3>,3|C<4>}	O[3](C[3]C[5,6]C[6a]C[3])(C[3]C[3]HH){2|C<3>,3|C<4>}	59.5623	0.000	1	59.5623	0.000	1	59.5623	0.000	1	59.5623	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	3:4:2:1:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(CC[6a]HO)(O[3]C[3])(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,2|H<1>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	59.5771	0.000	1	59.5771	0.000	1	59.5771	0.000	1	59.5771	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:1:1:	4:4:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(H)2	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]HH)	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]HH)(O[3]C[3])(H){2|C<3>,3|C<4>}	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(H)2{1|N<4>,2|O<2>}	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]HH){1|N<4>,2|O<2>}	58.2835	0.000	1	58.2835	0.000	1	58.2835	0.000	1	59.6340	0.228	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:1:1:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(CN[6a]HH)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(CN[6a]HH)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	59.8178	0.011	2	59.8178	0.000	2	59.8178	0.000	2	59.6340	0.228	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:1:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(H)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[3]C[6]H)(C[3]C[3]HH)	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>}	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2{1|C<3>,2|C<4>}	O[3](C[3]C[3]C[6]H)(C[3]C[3]HH){1|C<3>,2|C<4>}	59.7001	0.222	4	59.7001	0.049	4	59.7001	0.049	4	59.6340	0.228	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:1:1:	4:4:	C[5,6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]HH)	C[3](C[5,6]C[5,6,6]C[5]C[6])(C[3]O[3]HH)(O[3]C[3])(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(H)2{3|C<4>}	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]HH){3|C<4>}	59.1631	0.000	1	59.1631	0.000	1	59.1631	0.000	1	59.6340	0.228	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5]N[5]O)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[5]C[5]N[5]O)(C[3]O[3]HH)(O[3]C[3])(H){1|C<3>,2|C<4>,2|H<1>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|N<3>,1|O<2>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|C<4>,1|N<3>,1|O<2>}	60.1534	0.000	1	60.1534	0.000	1	59.8982	0.079	5	59.6340	0.228	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2{1|O<2>,2|C<4>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|O<2>,2|C<4>}	59.7047	0.000	1	59.7047	0.000	1	59.8982	0.079	5	59.6340	0.228	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	59.8316	0.000	1	59.8777	0.105	3	59.8982	0.079	5	59.6340	0.228	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H){2|C<4>,2|H<1>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	59.9008	0.456	2	59.8777	0.105	3	59.8982	0.079	5	59.6340	0.228	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:1:1:	4:4:	C[6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[6]C[6]O[6]H)(C[3]O[3]HH)(O[3]C[3])(H)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2	O[3](C[3]C[3]C[6]H)(C[3]C[3]HH)	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>}	C[3](C[3]C[6]O[3]H)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]C[6]H)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	59.5024	0.000	1	59.5024	0.000	1	59.5024	0.000	1	59.6340	0.228	14	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:2:3:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:S-2:N-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]NS)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a])(NOO)	O[3](C[3]C[3]CH)(C[3]C[3]NS)	C[3](C[3]O[3]NS)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a])(NOO)	O[3](C[3]C[3]CH)(C[3]C[3]NS)	56.9185	0.000	1	56.9185	0.000	1	56.9185	0.000	1	56.9185	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:3:1:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCO)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCO)(H)	O[3](C[3]C[3]CH)2	59.0976	0.000	1	59.0976	0.000	1	59.0976	0.000	1	58.9594	0.119	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:3:1:	4:4:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCH)(H)	O[3](C[3]C[3]2H)(C[3]C[3]CH)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|H<1>}	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCH)(H){1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]2H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	59.1561	0.000	1	59.1561	0.000	1	59.1561	0.000	1	58.9594	0.119	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:3:1:	4:4:	C[5,6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(COO)(H)	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]CH)	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(COO)(H){1|H<1>,2|C<4>}	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]CH){1|H<1>,2|C<4>}	58.4429	0.000	1	58.7919	0.244	2	58.7919	0.244	2	58.9594	0.119	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:3:1:	4:4:	C[5,6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(COO)(H)	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]CH)	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3](C[3]C[5,6]O[3]H)(O[3]C[3])(COO)(H){1|H<1>,2|C<4>}	O[3](C[3]C[5,6]C[3]H)(C[3]C[3]CH){1|H<1>,2|C<4>}	59.1410	0.000	1	58.7919	0.244	2	58.7919	0.244	2	58.9594	0.119	4	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:1:	4:4:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(CH3)(H)	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]CH)	C[3](B[5,5]N[5,5]O[5]2)(C[3]O[3]CH)(O[3]C[3])(H){2|C<3>,3|C<4>}	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(CH3)(H){1|N<4>,2|O<2>}	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]CH){1|N<4>,2|O<2>}	58.6961	0.000	1	58.6961	0.000	1	58.6961	0.000	1	60.0704	0.453	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:1:	4:4:	C[3,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CH)	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,4|C<4>}	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCHH)(H){1|O<2>,2|C<4>}	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CH){1|O<2>,2|C<4>}	59.1117	0.000	1	59.1117	0.000	1	59.1117	0.000	1	60.0704	0.453	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:1:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	O[3](C[3]C[3]CH)2	60.4669	0.058	2	60.4669	0.003	2	60.4669	0.003	2	60.0704	0.453	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:1:	4:4:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]2H)(C[3]C[3]CH)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<3>,1|H<1>}	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]2H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	60.2295	0.000	1	60.2295	0.000	1	60.2295	0.000	1	60.0704	0.453	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:1:	4:4:	C[4]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[4]C[4,6a]C[4]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH)	C[3](C[4]C[4,6a]C[4]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH){1|C<3>,1|C<4>,1|H<1>}	59.8311	0.000	1	59.8311	0.000	1	60.2008	0.143	3	60.0704	0.453	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:1:	4:4:	C[4]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[4]C[4]2Br)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH)	C[3](C[4]C[4]2Br)(C[3]O[3]CH)(O[3]C[3])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H){1|Br<1>,1|C<3>,1|C<4>}	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH){1|Br<1>,1|C<3>,1|C<4>}	60.3857	0.285	2	60.3857	0.081	2	60.2008	0.143	3	60.0704	0.453	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H){1|O<2>,3|C<4>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCCH)(H){1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	59.8168	0.000	1	59.8168	0.000	1	60.0932	0.153	2	60.0704	0.453	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CN[5]HH)(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CN[5]HH)(H){1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	60.3697	0.000	1	60.3697	0.000	1	60.0932	0.153	2	60.0704	0.453	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:1:	4:4:	C[6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(H)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(CCHO)(H)	O[3](C[3]C[3]C[6]H)(C[3]C[3]CH)	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>}	C[3](C[3]C[6]O[3]H)(O[3]C[3])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]C[6]H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	61.0147	0.000	1	61.0147	0.000	1	61.0147	0.000	1	60.0704	0.453	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:2:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:O-2:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CO)(CC[6a]HN)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CF3)(OC)	O[3](C[3]C[3]CH)(C[3]C[3]CO)	C[3](C[3]O[3]CO)(CC[6a]HN)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CF3)(OC)	O[3](C[3]C[3]CH)(C[3]C[3]CO)	57.8787	0.000	1	57.8787	0.000	1	57.8787	0.000	1	57.8787	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:4:	4:4:	C[3,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCCH)(CCHH)	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CC)	C[3](C[3,5]C[3,5]C[5]O[3])(C[3]O[3]CC)(O[3]C[3])(H){1|O<2>,4|C<4>}	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCCH)(CCHH){1|O<2>,2|C<4>}	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CC){1|O<2>,2|C<4>}	60.3288	0.268	2	60.3288	0.072	2	60.3288	0.072	2	59.8876	0.083	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:4:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(CC[3,6]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(CC[3,6]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.1003	0.000	1	60.1003	0.000	1	59.9050	0.025	4	59.8876	0.083	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:4:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.8320	0.156	2	59.8320	0.024	2	59.9050	0.025	4	59.8876	0.083	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:4:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.8556	0.000	1	59.8556	0.000	1	59.9050	0.025	4	59.8876	0.083	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:4:	4:4:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	O[3](C[3]C[3]2H)(C[3]C[3]CC)	C[3](C[3]C[3]O[3]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>}	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]2H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	60.3304	0.000	1	60.3304	0.000	1	60.3304	0.000	1	59.8876	0.083	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:4:	4:4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[5]C[5]N[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CHHO)(CH3)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[5]C[5]N[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CHHO)(CH3){1|C<4>,1|H<1>,1|N<3>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|N<3>}	59.5346	0.000	1	59.5346	0.000	1	59.8522	0.080	42	59.8876	0.083	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:4:	4:4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	59.8242	0.259	29	59.8531	0.076	39	59.8522	0.080	42	59.8876	0.083	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:4:	4:4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<4>,1|H<1>,2|C<3>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	59.9367	0.321	10	59.8531	0.076	39	59.8522	0.080	42	59.8876	0.083	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:4:	4:4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	59.6358	0.000	1	59.6358	0.000	1	59.8522	0.080	42	59.8876	0.083	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:4:	4:4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]O)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CH3)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[5]C[5]O[5]O)(C[3]O[3]CC)(O[3]C[3])(H){2|C<4>,2|H<1>}	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CH3)2{1|C<4>,2|O<2>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,2|O<2>}	60.3515	0.000	1	60.3515	0.000	1	59.8522	0.080	42	59.8876	0.083	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:2:4:4:	4:4:	C[6,6]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[6,6]C[3x6]2H)(C[3]O[3]CC)(O[3]C[3])(H)	C[3](C[3]C[6,6]O[3]H)(O[3]C[3])(CH3)2	O[3](C[3]C[6,6]C[3]H)(C[3]C[3]CC)	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>}	C[3](C[3]C[6,6]O[3]H)(O[3]C[3])(CH3)2{1|H<1>,2|C<4>}	O[3](C[3]C[6,6]C[3]H)(C[3]C[3]CC){1|H<1>,2|C<4>}	59.9787	0.000	1	59.9787	0.000	1	59.9787	0.000	1	59.8876	0.083	50	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	B[5,5]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[6a]O[3]H)(O[3]C[3])(H)	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H)	O[3](C[3]B[5,5]C[3]H)(C[3]C[6a]C[3]H)	C[3](B[5,5]N[5,5]O[5]2)(C[3]C[6a]O[3]H)(O[3]C[3])(H){3|C<4>,4|C<3>}	C[3](C[3]B[5,5]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	O[3](C[3]B[5,5]C[3]H)(C[3]C[6a]C[3]H){1|N<4>,2|C<3>,2|O<2>}	58.1920	0.000	1	58.1920	0.000	1	58.1920	0.000	1	58.3895	0.078	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[3]-4:C[3]-4:O[3]-2:H-1:	C[3]-4:C[5]-3:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(C[3]C[5]O[3]H)(O[3]C[3])(H)	C[3](C[3]C[3]O[3]H)(C[5]C[5]2)(O[3]C[3])(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]2H)	C[3](C[3]C[3]O[3]H)(C[3]C[5]O[3]H)(O[3]C[3])(H){2|C<3>,2|C<4>}	C[3](C[3]C[3]O[3]H)(C[5]C[5]2)(O[3]C[3])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O[3](C[3]C[3]C[5]H)(C[3]C[3]2H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	58.5871	0.000	1	58.5871	0.000	1	58.5871	0.000	1	58.3895	0.078	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3]-4:P-4:O[3]-2:H-1:	C[3]-4:P-4:O[3]-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HP)(PC[6a]2Ru)(O[3]C[3])(H)	C[3](C[3]O[3]HP)(PC[6a]2Ru)(O[3]C[3])(H)	O[3](C[3]C[3]HP)2	C[3](C[3]O[3]HP)(PC[6a]2Ru)(O[3]C[3])(H)	C[3](C[3]O[3]HP)(PC[6a]2Ru)(O[3]C[3])(H)	O[3](C[3]C[3]HP)2	59.1921	0.075	2	59.1921	0.006	2	59.1921	0.006	2	59.1921	0.006	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:3:	4:2:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:C-3:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5,6]O[5]O)(C[3]O[3]HH)(O[3]C[3])(COO)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5,6]O[5]O)(C[3]O[3]HH)(O[3]C[3])(COO){1|C<4>,1|N<3>,2|C<3>}	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|C<4>,2|O<2>}	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|C<4>,2|O<2>}	58.9367	0.000	1	58.9367	0.000	1	58.9367	0.000	1	58.9367	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:3:	4:2:3:1:	4:4:	C-4:C[3]-4:O[3]-2:C-3:	C[3]-4:O[3]-2:C-3:H-1:	C[3]-4:C[3]-4:	C[3](CC[5a]C[6a]H)(C[3]O[3]CH)(O[3]C[3])(CCO)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](CC[5a]C[6a]H)(C[3]O[3]CH)(O[3]C[3])(CCO)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[6a]O)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	58.7622	0.000	1	58.7622	0.000	1	58.7622	0.000	1	58.7622	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:3:	4:2:4:1:	4:4:	C[3]-4:C-4:O[3]-2:C-3:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(CC[6a]CN)(O[3]C[3])(CNO)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(CC[6a]CN)(O[3]C[3])(CNO)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	60.7595	0.000	1	60.7595	0.000	1	60.7595	0.000	1	60.7985	0.003	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:3:	4:2:4:1:	4:4:	C[3]-4:S-4:O[3]-2:S-3:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(SC[6a]OO)(O[3]C[3])(SC[6a]O)	C[3](C[3]O[3]SS)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]SS)	C[3](C[3]O[3]CH)(SC[6a]OO)(O[3]C[3])(SC[6a]O)	C[3](C[3]O[3]SS)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]SS)	60.8375	0.000	1	60.8375	0.000	1	60.8375	0.000	1	60.7985	0.003	2	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:1:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH){2|C<4>,4|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|C<3>,2|C<4>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH){1|C<3>,2|C<4>}	58.8057	0.000	1	58.8057	0.000	1	58.8483	0.200	4	59.4518	0.643	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:1:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH){3|C<4>,3|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|H<1>,2|C<4>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH){1|H<1>,2|C<4>}	58.8625	0.546	3	58.8625	0.299	3	58.8483	0.200	4	59.4518	0.643	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5,6]C[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5,6]C[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|H<1>,2|C<4>}	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|H<1>,2|C<4>}	58.4378	0.000	1	58.4378	0.000	1	59.8559	0.678	6	59.4518	0.643	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5]N[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5]N[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|N<3>,2|C<4>}	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|N<3>,2|C<4>}	59.6885	0.066	2	59.6885	0.004	2	59.8559	0.678	6	59.4518	0.643	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|H<1>,2|C<4>}	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|O<2>,2|C<4>}	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|O<2>,2|C<4>}	60.6245	0.304	2	60.6245	0.092	2	59.8559	0.678	6	59.4518	0.643	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|N<3>,2|C<4>}	C[3](C[3]C[5]O[3]C)(O[3]C[3])(H)2{1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	60.0712	0.000	1	60.0712	0.000	1	59.8559	0.678	6	59.4518	0.643	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:1:1:	4:4:	C[6]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[6]C[5,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH)	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>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(H)2{1|H<1>,2|C<4>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH){1|H<1>,2|C<4>}	59.4413	0.000	1	59.4413	0.000	1	59.4413	0.000	1	59.4518	0.643	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:4:1:	4:4:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(CH3)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	59.0603	0.046	2	59.0603	0.002	2	59.0603	0.002	2	59.0638	0.419	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:4:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	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>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H){1|H<1>,2|C<4>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	59.2964	0.000	1	59.5398	0.080	4	59.0840	0.595	8	59.0638	0.419	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:4:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H){1|H<1>,2|C<4>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	59.6210	0.283	3	59.5398	0.080	4	59.0840	0.595	8	59.0638	0.419	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:4:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CH3)(H)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	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>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CH3)(H){1|H<1>,2|C<4>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	57.3556	0.000	1	57.3556	0.000	1	59.0840	0.595	8	59.0638	0.419	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:4:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(C[6]C[6]2O)(O[3]C[3])(CH3)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCCH)(H)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	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>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|C<3>,1|C<4>,1|O<2>}	59.0524	0.227	3	59.0524	0.052	3	59.0840	0.595	8	59.0638	0.419	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:4:1:	4:4:	C[6]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(CH3)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CHHO)(H)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	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>}	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	58.9095	0.000	1	58.9095	0.000	1	58.9095	0.000	1	59.0638	0.419	11	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:4:2:	4:4:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:C-2:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	O[3](C[3]C[3]CC)2	58.3860	0.000	1	58.3860	0.000	1	58.3860	0.000	1	58.3860	0.000	1	59.3814	0.512	723	59.4840	0.504	1972
486	486	962	3:SP3_SP3_SP3	C[3]	C[3]	O[3]	4:4:2:4:	4:2:4:3:	4:4:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CCH)	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CCH)	O[3](C[3]C[3]CC)2	57.4622	0.000	1	57.4622	0.000	1	57.4622	0.000	1	57.4622	0.000	1	59.3814	0.512	723	59.4840	0.504	1972