@MOLECULE (5z,13e,15s,19r)-15,19-dihydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acid 55 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8475 4.4192 1.0106 O.3 1 UNL1111111111 -0.5633 2 O 4.6558 0.5417 -1.3145 O.2 1 UNL1111111111 -0.4546 3 O -3.2426 -1.7562 -1.0500 O.3 1 UNL1111111111 -0.6251 4 O -0.6579 -1.1679 -0.9774 O.3 1 UNL1111111111 -0.5932 5 O -1.1262 -3.1965 -0.2169 O.2 1 UNL1111111111 -0.5867 6 C 1.3773 1.3218 -0.4704 C.2 1 UNL1111111111 0.0653 7 C 1.2180 1.3391 -1.9724 C.3 1 UNL1111111111 -0.2752 8 C 2.6244 0.9759 -0.0912 C.2 1 UNL1111111111 -0.1835 9 C 2.6057 0.9611 -2.5234 C.3 1 UNL1111111111 -0.3845 10 C -2.9823 2.3697 0.4127 C.3 1 UNL1111111111 -0.3263 11 C -2.9905 0.8536 0.6179 C.3 1 UNL1111111111 -0.2692 12 C -1.7262 3.0027 1.0418 C.3 1 UNL1111111111 0.1447 13 C -4.1572 0.2061 -0.1329 C.3 1 UNL1111111111 -0.3162 14 C 3.4797 0.7797 -1.2904 C.2 1 UNL1111111111 0.4810 15 C 3.1573 0.8133 1.2799 C.3 1 UNL1111111111 -0.2587 16 C 0.2480 1.6327 0.3843 C.2 1 UNL1111111111 -0.1965 17 C -0.5136 2.7176 0.2074 C.2 1 UNL1111111111 -0.1273 18 C -4.1094 -1.3225 -0.0052 C.3 1 UNL1111111111 0.1948 19 C 3.9482 -0.4553 1.3886 C.2 1 UNL1111111111 -0.1453 20 C -5.4718 -1.9684 -0.2477 C.3 1 UNL1111111111 -0.4958 21 C 3.4662 -1.6434 1.7612 C.2 1 UNL1111111111 -0.1753 22 C 2.0444 -1.9470 2.1066 C.3 1 UNL1111111111 -0.2753 23 C 1.4894 -3.0203 1.1545 C.3 1 UNL1111111111 -0.2435 24 C 1.1856 -2.4449 -0.2363 C.3 1 UNL1111111111 -0.3507 25 C -0.2877 -2.3502 -0.4528 C.2 1 UNL1111111111 0.6746 26 H 0.4384 0.6134 -2.2821 H 1 UNL1111111111 0.1775 27 H 0.8822 2.3258 -2.3352 H 1 UNL1111111111 0.1577 28 H 3.0245 1.7379 -3.1845 H 1 UNL1111111111 0.1711 29 H 2.5828 0.0351 -3.1220 H 1 UNL1111111111 0.1720 30 H -3.8904 2.8228 0.8508 H 1 UNL1111111111 0.1409 31 H -3.0198 2.6169 -0.6667 H 1 UNL1111111111 0.1595 32 H -3.0484 0.6141 1.6962 H 1 UNL1111111111 0.1354 33 H -2.0325 0.4207 0.2589 H 1 UNL1111111111 0.1571 34 H -1.6002 2.6982 2.1049 H 1 UNL1111111111 0.1245 35 H -5.1210 0.5929 0.2433 H 1 UNL1111111111 0.1463 36 H -4.1212 0.4769 -1.2089 H 1 UNL1111111111 0.1645 37 H 2.3421 0.8467 2.0346 H 1 UNL1111111111 0.1514 38 H 3.8098 1.6835 1.5319 H 1 UNL1111111111 0.1619 39 H 0.0568 0.9086 1.1802 H 1 UNL1111111111 0.1616 40 H -0.3106 3.4703 -0.5570 H 1 UNL1111111111 0.1704 41 H -3.6782 -1.6442 0.9683 H 1 UNL1111111111 0.1140 42 H 4.9978 -0.3427 1.1035 H 1 UNL1111111111 0.1607 43 H -5.8584 -1.7042 -1.2407 H 1 UNL1111111111 0.1646 44 H -5.3993 -3.0616 -0.2184 H 1 UNL1111111111 0.1574 45 H -6.2080 -1.6590 0.4995 H 1 UNL1111111111 0.1503 46 H -2.6547 4.7112 1.4717 H 1 UNL1111111111 0.3150 47 H 4.1291 -2.5086 1.8230 H 1 UNL1111111111 0.1438 48 H 1.9857 -2.3092 3.1546 H 1 UNL1111111111 0.1441 49 H 1.4044 -1.0443 2.0733 H 1 UNL1111111111 0.1459 50 H 0.5810 -3.4804 1.5940 H 1 UNL1111111111 0.1557 51 H 2.2139 -3.8534 1.0652 H 1 UNL1111111111 0.1470 52 H -2.8052 -2.6163 -0.8162 H 1 UNL1111111111 0.3620 53 H 1.6260 -3.0855 -1.0309 H 1 UNL1111111111 0.1794 54 H 1.6754 -1.4500 -0.3662 H 1 UNL1111111111 0.1982 55 H -1.6749 -1.1129 -1.1188 H 1 UNL1111111111 0.3959 @BOND 1 1 12 1 2 1 46 1 3 2 14 2 4 3 18 1 5 3 52 1 6 4 25 1 7 4 55 1 8 5 25 2 9 6 7 1 10 6 8 2 11 6 16 1 12 7 9 1 13 7 26 1 14 7 27 1 15 8 14 1 16 8 15 1 17 9 14 1 18 9 28 1 19 9 29 1 20 10 11 1 21 10 12 1 22 10 30 1 23 10 31 1 24 11 13 1 25 11 32 1 26 11 33 1 27 12 17 1 28 12 34 1 29 13 18 1 30 13 35 1 31 13 36 1 32 15 19 1 33 15 37 1 34 15 38 1 35 16 17 2 36 16 39 1 37 17 40 1 38 18 20 1 39 18 41 1 40 19 21 2 41 19 42 1 42 20 43 1 43 20 44 1 44 20 45 1 45 21 22 1 46 21 47 1 47 22 23 1 48 22 48 1 49 22 49 1 50 23 24 1 51 23 50 1 52 23 51 1 53 24 25 1 54 24 53 1 55 24 54 1