@MOLECULE (2-{(3as,5r,6r,6as)-5-hydroxy-6-[(1e,3s)-3-hydroxy-1-octen-1-yl]-1,3a,4,5,6,6a-hexahydro-2-pentalenyl}ethoxy)acetic acid 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1428 -3.1994 2.4387 O.3 1 UNL1111111111 -0.5691 2 O 3.1730 2.2410 -1.0455 O.3 1 UNL1111111111 -0.3604 3 O -1.3493 2.2796 1.6439 O.3 1 UNL1111111111 -0.6140 4 O 1.3104 2.2202 1.3385 O.3 1 UNL1111111111 -0.5713 5 O 0.2456 3.3407 -0.2563 O.2 1 UNL1111111111 -0.5622 6 C 0.8341 -1.6462 -0.7963 C.3 1 UNL1111111111 -0.1102 7 C 1.7981 -2.8548 -1.0699 C.3 1 UNL1111111111 -0.0997 8 C 0.6748 -1.6420 0.7359 C.3 1 UNL1111111111 -0.1718 9 C 1.6647 -3.8103 0.1279 C.3 1 UNL1111111111 -0.3556 10 C 0.6760 -3.1407 1.1057 C.3 1 UNL1111111111 0.1624 11 C 1.6063 -0.4086 -1.2955 C.3 1 UNL1111111111 -0.3026 12 C 3.1507 -2.1935 -1.1733 C.2 1 UNL1111111111 -0.2340 13 C 3.0450 -0.8589 -1.2707 C.2 1 UNL1111111111 0.0192 14 C -0.4731 -0.8770 1.2867 C.2 1 UNL1111111111 -0.1085 15 C 4.1357 0.1431 -1.3322 C.3 1 UNL1111111111 -0.3066 16 C -1.0300 0.1654 0.6665 C.2 1 UNL1111111111 -0.2743 17 C 3.9217 1.2691 -0.3103 C.3 1 UNL1111111111 -0.0401 18 C -2.0233 1.0637 1.3405 C.3 1 UNL1111111111 0.1764 19 C -3.2414 1.3561 0.4552 C.3 1 UNL1111111111 -0.3324 20 C -4.0542 0.0784 0.2274 C.3 1 UNL1111111111 -0.2639 21 C -5.2345 0.3476 -0.7134 C.3 1 UNL1111111111 -0.2717 22 C 2.6827 3.3075 -0.2743 C.3 1 UNL1111111111 -0.1147 23 C -6.0398 -0.9365 -0.9530 C.3 1 UNL1111111111 -0.2524 24 C 1.2925 2.9722 0.2320 C.2 1 UNL1111111111 0.6263 25 C -7.2160 -0.6752 -1.8937 C.3 1 UNL1111111111 -0.4415 26 H -0.1375 -1.7652 -1.3030 H 1 UNL1111111111 0.1407 27 H 1.5437 -3.3658 -2.0192 H 1 UNL1111111111 0.1400 28 H 1.6061 -1.1924 1.1957 H 1 UNL1111111111 0.1881 29 H 2.6414 -3.9599 0.6227 H 1 UNL1111111111 0.1614 30 H 1.3189 -4.8053 -0.1850 H 1 UNL1111111111 0.1387 31 H -0.3337 -3.5935 1.0731 H 1 UNL1111111111 0.1162 32 H 1.3047 -0.1202 -2.3186 H 1 UNL1111111111 0.1561 33 H 1.4270 0.4823 -0.6687 H 1 UNL1111111111 0.1659 34 H 4.0444 -2.7837 -1.1520 H 1 UNL1111111111 0.1487 35 H -0.7743 -1.1876 2.2912 H 1 UNL1111111111 0.1592 36 H 4.1814 0.5866 -2.3557 H 1 UNL1111111111 0.1760 37 H 5.1261 -0.3271 -1.1704 H 1 UNL1111111111 0.1541 38 H 1.2895 -4.1199 2.7203 H 1 UNL1111111111 0.3145 39 H -0.7576 0.4687 -0.3422 H 1 UNL1111111111 0.1623 40 H 3.3555 0.9368 0.5789 H 1 UNL1111111111 0.1469 41 H 4.8737 1.7277 0.0050 H 1 UNL1111111111 0.1192 42 H -2.3267 0.7093 2.3526 H 1 UNL1111111111 0.1414 43 H -2.9186 1.7864 -0.5119 H 1 UNL1111111111 0.1509 44 H -3.8655 2.1350 0.9341 H 1 UNL1111111111 0.1532 45 H -4.4215 -0.3174 1.1927 H 1 UNL1111111111 0.1360 46 H -3.4041 -0.7118 -0.1980 H 1 UNL1111111111 0.1450 47 H -1.1408 2.8013 0.8245 H 1 UNL1111111111 0.3591 48 H -5.8896 1.1308 -0.2889 H 1 UNL1111111111 0.1374 49 H -4.8693 0.7488 -1.6774 H 1 UNL1111111111 0.1390 50 H 3.3561 3.5876 0.5557 H 1 UNL1111111111 0.1541 51 H 2.6250 4.1441 -1.0062 H 1 UNL1111111111 0.1749 52 H -6.4084 -1.3378 0.0098 H 1 UNL1111111111 0.1328 53 H -5.3844 -1.7206 -1.3769 H 1 UNL1111111111 0.1329 54 H -7.7925 -1.5891 -2.0731 H 1 UNL1111111111 0.1396 55 H -7.9028 0.0710 -1.4786 H 1 UNL1111111111 0.1430 56 H -6.8758 -0.3041 -2.8670 H 1 UNL1111111111 0.1429 57 H 0.3599 2.0331 1.6955 H 1 UNL1111111111 0.4023 @BOND 1 1 10 1 2 1 38 1 3 2 17 1 4 2 22 1 5 3 18 1 6 3 47 1 7 4 24 1 8 4 57 1 9 5 24 2 10 6 7 1 11 6 8 1 12 6 11 1 13 6 26 1 14 7 9 1 15 7 12 1 16 7 27 1 17 8 10 1 18 8 14 1 19 8 28 1 20 9 10 1 21 9 29 1 22 9 30 1 23 10 31 1 24 11 13 1 25 11 32 1 26 11 33 1 27 12 13 2 28 12 34 1 29 13 15 1 30 14 16 2 31 14 35 1 32 15 17 1 33 15 36 1 34 15 37 1 35 16 18 1 36 16 39 1 37 17 40 1 38 17 41 1 39 18 19 1 40 18 42 1 41 19 20 1 42 19 43 1 43 19 44 1 44 20 21 1 45 20 45 1 46 20 46 1 47 21 23 1 48 21 48 1 49 21 49 1 50 22 24 1 51 22 50 1 52 22 51 1 53 23 25 1 54 23 52 1 55 23 53 1 56 25 54 1 57 25 55 1 58 25 56 1