@MOLECULE (5z,11alpha,15s)-11,15-dihydroxy-9-oxoprost-5-en-1-oic acid 59 59 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.2346 -1.6246 -1.0704 O.3 1 UNL1111 -0.5565 2 O 0.7424 -3.9214 -1.1373 O.2 1 UNL1111 -0.4562 3 O 2.5553 2.3945 2.8800 O.3 1 UNL1111 -0.5779 4 O -5.6450 -1.9115 0.2723 O.3 1 UNL1111 -0.5741 5 O -4.8705 -0.1469 -0.8394 O.2 1 UNL1111 -0.5138 6 C 2.2721 -0.9117 0.0621 C.3 1 UNL1111 -0.1366 7 C 1.6509 -2.2857 0.3930 C.3 1 UNL1111 -0.2200 8 C 2.9459 -1.1041 -1.3225 C.3 1 UNL1111 0.1557 9 C 3.2301 -0.4117 1.1427 C.3 1 UNL1111 -0.2721 10 C 2.0942 -2.1568 -2.0537 C.3 1 UNL1111 -0.4580 11 C 1.3956 -2.9318 -0.9586 C.2 1 UNL1111 0.4919 12 C 0.3727 -2.1920 1.2312 C.3 1 UNL1111 -0.2769 13 C 3.3705 1.1144 1.1134 C.3 1 UNL1111 -0.3028 14 C 2.1183 1.8212 1.6528 C.3 1 UNL1111 0.1627 15 C 1.5951 2.9401 0.7359 C.3 1 UNL1111 -0.3433 16 C -0.6512 -1.3032 0.5997 C.2 1 UNL1111 -0.1608 17 C 0.9492 2.3586 -0.5241 C.3 1 UNL1111 -0.2724 18 C -1.1485 -0.2240 1.2102 C.2 1 UNL1111 -0.1740 19 C 0.0989 3.4056 -1.2525 C.3 1 UNL1111 -0.2714 20 C -2.1626 0.6732 0.5794 C.3 1 UNL1111 -0.2876 21 C -0.6156 2.7707 -2.4536 C.3 1 UNL1111 -0.2482 22 C -3.4234 0.7887 1.4492 C.3 1 UNL1111 -0.2388 23 C -1.4949 3.7955 -3.1687 C.3 1 UNL1111 -0.4439 24 C -4.2063 -0.5264 1.4851 C.3 1 UNL1111 -0.3489 25 C -4.8966 -0.7772 0.1845 C.2 1 UNL1111 0.6539 26 H 1.4465 -0.1680 -0.0664 H 1 UNL1111 0.1553 27 H 2.4011 -2.9177 0.9325 H 1 UNL1111 0.1764 28 H 3.0518 -0.1553 -1.8812 H 1 UNL1111 0.1164 29 H 4.2292 -0.8808 1.0206 H 1 UNL1111 0.1679 30 H 2.8814 -0.7344 2.1433 H 1 UNL1111 0.1451 31 H 2.7054 -2.8301 -2.6798 H 1 UNL1111 0.1795 32 H 1.3562 -1.6995 -2.7358 H 1 UNL1111 0.1798 33 H 0.6309 -1.8504 2.2545 H 1 UNL1111 0.1482 34 H -0.0562 -3.2136 1.3563 H 1 UNL1111 0.1678 35 H 3.6163 1.4592 0.0942 H 1 UNL1111 0.1460 36 H 4.2395 1.4187 1.7394 H 1 UNL1111 0.1695 37 H 1.3056 1.1004 1.8988 H 1 UNL1111 0.1170 38 H 4.7172 -1.7842 -1.9028 H 1 UNL1111 0.3142 39 H 2.4187 3.6287 0.4710 H 1 UNL1111 0.1546 40 H 0.8642 3.5577 1.2906 H 1 UNL1111 0.1398 41 H -0.9672 -1.6070 -0.3980 H 1 UNL1111 0.1531 42 H 1.7295 1.9694 -1.2055 H 1 UNL1111 0.1372 43 H 0.3146 1.4877 -0.2587 H 1 UNL1111 0.1441 44 H -0.8401 0.0680 2.2126 H 1 UNL1111 0.1428 45 H 1.8540 2.9256 3.2936 H 1 UNL1111 0.3094 46 H -0.6448 3.8458 -0.5626 H 1 UNL1111 0.1348 47 H 0.7325 4.2470 -1.5873 H 1 UNL1111 0.1373 48 H -2.4452 0.3305 -0.4394 H 1 UNL1111 0.1641 49 H -1.7265 1.6850 0.4273 H 1 UNL1111 0.1526 50 H 0.1266 2.3508 -3.1581 H 1 UNL1111 0.1329 51 H -1.2351 1.9155 -2.1188 H 1 UNL1111 0.1381 52 H -3.1490 1.0879 2.4790 H 1 UNL1111 0.1412 53 H -4.0675 1.6020 1.0564 H 1 UNL1111 0.1506 54 H -2.2752 4.1869 -2.5057 H 1 UNL1111 0.1447 55 H -1.9976 3.3512 -4.0356 H 1 UNL1111 0.1443 56 H -0.9094 4.6480 -3.5294 H 1 UNL1111 0.1406 57 H -3.5254 -1.3795 1.7148 H 1 UNL1111 0.1921 58 H -4.9494 -0.5237 2.3115 H 1 UNL1111 0.1767 59 H -6.1198 -2.1410 -0.5624 H 1 UNL1111 0.3563 @BOND 1 1 8 1 2 1 38 1 3 2 11 2 4 3 14 1 5 3 45 1 6 4 25 1 7 4 59 1 8 5 25 2 9 6 7 1 10 6 8 1 11 6 9 1 12 6 26 1 13 7 11 1 14 7 12 1 15 7 27 1 16 8 10 1 17 8 28 1 18 9 13 1 19 9 29 1 20 9 30 1 21 10 11 1 22 10 31 1 23 10 32 1 24 12 16 1 25 12 33 1 26 12 34 1 27 13 14 1 28 13 35 1 29 13 36 1 30 14 15 1 31 14 37 1 32 15 17 1 33 15 39 1 34 15 40 1 35 16 18 2 36 16 41 1 37 17 19 1 38 17 42 1 39 17 43 1 40 18 20 1 41 18 44 1 42 19 21 1 43 19 46 1 44 19 47 1 45 20 22 1 46 20 48 1 47 20 49 1 48 21 23 1 49 21 50 1 50 21 51 1 51 22 24 1 52 22 52 1 53 22 53 1 54 23 54 1 55 23 55 1 56 23 56 1 57 24 25 1 58 24 57 1 59 24 58 1