@MOLECULE (5z,11alpha)-11-hydroxy-9,15-dioxo(3,3,4,4-~2~h_4_)prost-5-en-1-oic acid 57 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0457 -2.8993 2.2292 O.3 1 UNL111111111 -0.5639 2 O 4.0430 -1.1056 -0.3482 O.2 1 UNL111111111 -0.4557 3 O -2.1775 -1.3932 -1.2941 O.2 1 UNL111111111 -0.4633 4 O 2.5502 2.2795 2.2969 O.3 1 UNL111111111 -0.5939 5 O 2.9082 4.2394 1.3060 O.2 1 UNL111111111 -0.5028 6 C 0.5902 -1.9086 0.1163 C.3 1 UNL111111111 -0.1365 7 C 1.8844 -2.1402 -0.6924 C.3 1 UNL111111111 -0.2195 8 C 1.0563 -1.6464 1.5738 C.3 1 UNL111111111 0.1547 9 C 2.4858 -1.0921 1.4803 C.3 1 UNL111111111 -0.4686 10 C -0.3750 -3.0872 -0.0171 C.3 1 UNL111111111 -0.2404 11 C 2.9607 -1.3970 0.0791 C.2 1 UNL111111111 0.4915 12 C 1.7982 -1.6909 -2.1548 C.3 1 UNL111111111 -0.2733 13 C -1.7415 -2.7730 0.5981 C.3 1 UNL111111111 -0.3894 14 C 1.3233 -0.2775 -2.2827 C.2 1 UNL111111111 -0.1775 15 C -2.4601 -1.6848 -0.1594 C.2 1 UNL111111111 0.4824 16 C -3.5687 -0.9858 0.5897 C.3 1 UNL111111111 -0.3926 17 C 2.1663 0.7565 -2.3360 C.2 1 UNL111111111 -0.1583 18 C -4.1935 0.1205 -0.2648 C.3 1 UNL111111111 -0.2509 19 C 1.7088 2.1775 -2.4102 C.3 1 UNL111111111 -0.2789 20 C -5.3430 0.8041 0.4820 C.3 1 UNL111111111 -0.2796 21 C 2.2933 2.9865 -1.2423 C.3 1 UNL111111111 -0.2441 22 C -5.9630 1.9137 -0.3779 C.3 1 UNL111111111 -0.2498 23 C 1.7740 2.4481 0.0953 C.3 1 UNL111111111 -0.3454 24 C -7.1516 2.5566 0.3365 C.3 1 UNL111111111 -0.4401 25 C 2.4660 3.1258 1.2288 C.2 1 UNL111111111 0.6515 26 H 0.0831 -0.9834 -0.2534 H 1 UNL111111111 0.1601 27 H 2.1519 -3.2282 -0.6667 H 1 UNL111111111 0.1723 28 H 0.3672 -0.9748 2.1227 H 1 UNL111111111 0.1163 29 H 3.1633 -1.5522 2.2238 H 1 UNL111111111 0.1831 30 H 2.5323 -0.0043 1.6874 H 1 UNL111111111 0.1969 31 H -0.5014 -3.3359 -1.0921 H 1 UNL111111111 0.1538 32 H 0.0526 -3.9904 0.4650 H 1 UNL111111111 0.1594 33 H 1.1165 -2.3695 -2.7099 H 1 UNL111111111 0.1517 34 H 2.7970 -1.8162 -2.6287 H 1 UNL111111111 0.1620 35 H -1.6182 -2.5076 1.6669 H 1 UNL111111111 0.1696 36 H -2.3717 -3.6867 0.5948 H 1 UNL111111111 0.1659 37 H 1.4586 -2.8361 3.1108 H 1 UNL111111111 0.3144 38 H 0.2409 -0.1573 -2.3227 H 1 UNL111111111 0.1556 39 H -4.3402 -1.7241 0.8865 H 1 UNL111111111 0.1638 40 H -3.1795 -0.5635 1.5370 H 1 UNL111111111 0.1633 41 H 3.2485 0.6196 -2.3041 H 1 UNL111111111 0.1597 42 H -3.4202 0.8606 -0.5494 H 1 UNL111111111 0.1488 43 H -4.5532 -0.3022 -1.2243 H 1 UNL111111111 0.1514 44 H 0.6031 2.2531 -2.4109 H 1 UNL111111111 0.1461 45 H 2.0329 2.6244 -3.3745 H 1 UNL111111111 0.1505 46 H -6.1175 0.0623 0.7522 H 1 UNL111111111 0.1367 47 H -4.9822 1.2269 1.4378 H 1 UNL111111111 0.1346 48 H 3.4009 2.9437 -1.2685 H 1 UNL111111111 0.1533 49 H 2.0362 4.0584 -1.3487 H 1 UNL111111111 0.1508 50 H -5.2013 2.6810 -0.6125 H 1 UNL111111111 0.1346 51 H -6.2866 1.5015 -1.3528 H 1 UNL111111111 0.1373 52 H 1.9166 1.3438 0.1441 H 1 UNL111111111 0.1884 53 H 0.6773 2.6050 0.1822 H 1 UNL111111111 0.1788 54 H -7.9478 1.8280 0.5252 H 1 UNL111111111 0.1424 55 H -7.5832 3.3669 -0.2618 H 1 UNL111111111 0.1428 56 H -6.8579 2.9818 1.3024 H 1 UNL111111111 0.1417 57 H 3.0089 2.6690 3.0783 H 1 UNL111111111 0.3579 @BOND 1 1 8 1 2 1 37 1 3 2 11 2 4 3 15 2 5 4 25 1 6 4 57 1 7 5 25 2 8 6 7 1 9 6 8 1 10 6 10 1 11 6 26 1 12 7 11 1 13 7 12 1 14 7 27 1 15 8 9 1 16 8 28 1 17 9 11 1 18 9 29 1 19 9 30 1 20 10 13 1 21 10 31 1 22 10 32 1 23 12 14 1 24 12 33 1 25 12 34 1 26 13 15 1 27 13 35 1 28 13 36 1 29 14 17 2 30 14 38 1 31 15 16 1 32 16 18 1 33 16 39 1 34 16 40 1 35 17 19 1 36 17 41 1 37 18 20 1 38 18 42 1 39 18 43 1 40 19 21 1 41 19 44 1 42 19 45 1 43 20 22 1 44 20 46 1 45 20 47 1 46 21 23 1 47 21 48 1 48 21 49 1 49 22 24 1 50 22 50 1 51 22 51 1 52 23 25 1 53 23 52 1 54 23 53 1 55 24 54 1 56 24 55 1 57 24 56 1