@MOLECULE (5e,13e,15s)-15-hydroxy-9-oxoprosta-5,10,13-trien-1-oic acid 54 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2764 1.9570 1.8263 O.2 1 UNL1111111111 -0.4520 2 O 3.9896 -2.4080 -1.3101 O.3 1 UNL1111111111 -0.5525 3 O -4.3790 -1.9151 1.0685 O.3 1 UNL1111111111 -0.5825 4 O -5.3815 -1.7474 -0.9065 O.2 1 UNL1111111111 -0.5160 5 C -0.5614 1.0278 0.3745 C.3 1 UNL1111111111 -0.2154 6 C -0.2043 -0.4744 0.1581 C.3 1 UNL1111111111 -0.1399 7 C -1.0410 1.7305 -0.8987 C.3 1 UNL1111111111 -0.2716 8 C -1.6716 0.9984 1.4315 C.2 1 UNL1111111111 0.4701 9 C -1.0469 -1.2186 1.1743 C.2 1 UNL1111111111 -0.0596 10 C 1.2475 -0.7361 0.3892 C.2 1 UNL1111111111 -0.1729 11 C -1.8606 -0.4080 1.8631 C.2 1 UNL1111111111 -0.3024 12 C 3.4951 -1.5453 -0.3063 C.3 1 UNL1111111111 0.1477 13 C 4.2947 -0.2339 -0.2753 C.3 1 UNL1111111111 -0.3289 14 C 2.0373 -1.2762 -0.5407 C.2 1 UNL1111111111 -0.2055 15 C 5.7693 -0.5149 0.0269 C.3 1 UNL1111111111 -0.2678 16 C -2.3318 1.1607 -1.3975 C.2 1 UNL1111111111 -0.1953 17 C 6.5941 0.7754 -0.0417 C.3 1 UNL1111111111 -0.2735 18 C 8.0681 0.4937 0.2794 C.3 1 UNL1111111111 -0.2503 19 C -3.4929 1.8132 -1.2918 C.2 1 UNL1111111111 -0.1350 20 C -4.7897 1.2276 -1.7446 C.3 1 UNL1111111111 -0.2910 21 C -5.7705 1.0877 -0.5686 C.3 1 UNL1111111111 -0.2373 22 C 8.8945 1.7782 0.2182 C.3 1 UNL1111111111 -0.4404 23 C -5.2137 0.2094 0.5545 C.3 1 UNL1111111111 -0.3535 24 C -5.0379 -1.2021 0.1083 C.2 1 UNL1111111111 0.6581 25 H 0.3132 1.5804 0.7883 H 1 UNL1111111111 0.1671 26 H -0.5106 -0.7930 -0.8693 H 1 UNL1111111111 0.1676 27 H -0.2611 1.6563 -1.6848 H 1 UNL1111111111 0.1513 28 H -1.1462 2.8176 -0.6893 H 1 UNL1111111111 0.1580 29 H -0.9462 -2.2875 1.2655 H 1 UNL1111111111 0.1587 30 H 1.6166 -0.4564 1.3751 H 1 UNL1111111111 0.1524 31 H -2.5827 -0.6651 2.6185 H 1 UNL1111111111 0.1853 32 H 3.6617 -2.1572 0.6139 H 1 UNL1111111111 0.1538 33 H 3.8703 0.4487 0.4848 H 1 UNL1111111111 0.1509 34 H 4.1940 0.2944 -1.2415 H 1 UNL1111111111 0.1450 35 H 1.6724 -1.5771 -1.5227 H 1 UNL1111111111 0.1607 36 H 5.8720 -0.9802 1.0254 H 1 UNL1111111111 0.1394 37 H 6.1654 -1.2627 -0.6891 H 1 UNL1111111111 0.1515 38 H -2.2627 0.1715 -1.8437 H 1 UNL1111111111 0.1462 39 H 6.5085 1.2303 -1.0459 H 1 UNL1111111111 0.1355 40 H 6.1908 1.5240 0.6652 H 1 UNL1111111111 0.1362 41 H 8.4743 -0.2514 -0.4308 H 1 UNL1111111111 0.1358 42 H 8.1565 0.0349 1.2823 H 1 UNL1111111111 0.1345 43 H -3.5636 2.8040 -0.8422 H 1 UNL1111111111 0.1522 44 H -5.2403 1.8684 -2.5313 H 1 UNL1111111111 0.1504 45 H -4.6475 0.2365 -2.2269 H 1 UNL1111111111 0.1633 46 H 4.0588 -1.9523 -2.1706 H 1 UNL1111111111 0.3127 47 H -6.7257 0.6633 -0.9408 H 1 UNL1111111111 0.1513 48 H -6.0132 2.0890 -0.1611 H 1 UNL1111111111 0.1456 49 H 9.9490 1.5831 0.4432 H 1 UNL1111111111 0.1418 50 H 8.8501 2.2366 -0.7761 H 1 UNL1111111111 0.1426 51 H 8.5361 2.5204 0.9401 H 1 UNL1111111111 0.1421 52 H -4.2404 0.6202 0.9216 H 1 UNL1111111111 0.2016 53 H -5.8790 0.2398 1.4452 H 1 UNL1111111111 0.1810 54 H -4.2527 -2.8652 0.8367 H 1 UNL1111111111 0.3527 @BOND 1 1 8 2 2 2 12 1 3 2 46 1 4 3 24 1 5 3 54 1 6 4 24 2 7 5 6 1 8 5 7 1 9 5 8 1 10 5 25 1 11 6 9 1 12 6 10 1 13 6 26 1 14 7 16 1 15 7 27 1 16 7 28 1 17 8 11 1 18 9 11 2 19 9 29 1 20 10 14 2 21 10 30 1 22 11 31 1 23 12 13 1 24 12 14 1 25 12 32 1 26 13 15 1 27 13 33 1 28 13 34 1 29 14 35 1 30 15 17 1 31 15 36 1 32 15 37 1 33 16 19 2 34 16 38 1 35 17 18 1 36 17 39 1 37 17 40 1 38 18 22 1 39 18 41 1 40 18 42 1 41 19 20 1 42 19 43 1 43 20 21 1 44 20 44 1 45 20 45 1 46 21 23 1 47 21 47 1 48 21 48 1 49 22 49 1 50 22 50 1 51 22 51 1 52 23 24 1 53 23 52 1 54 23 53 1