@MOLECULE (5z,13e,15s)-1,15-dihydroxyprosta-5,13-dien-9-one 57 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.4043 1.5440 -0.3028 O.2 1 UNL1111111111 -0.4501 2 O 1.1403 -4.6347 0.4985 O.3 1 UNL1111111111 -0.5656 3 O 2.8200 1.8733 3.2697 O.3 1 UNL1111111111 -0.5569 4 C -2.3254 -1.3582 -0.0573 C.3 1 UNL1111111111 -0.1209 5 C -2.4135 0.1665 -0.3005 C.3 1 UNL1111111111 -0.2181 6 C -3.4494 -1.6729 0.9639 C.3 1 UNL1111111111 -0.2648 7 C -4.5393 -0.6228 0.7231 C.3 1 UNL1111111111 -0.3922 8 C -3.8629 0.5148 -0.0092 C.2 1 UNL1111111111 0.4772 9 C -1.9866 0.5611 -1.7167 C.3 1 UNL1111111111 -0.2693 10 C -0.9903 -1.7636 0.4737 C.2 1 UNL1111111111 -0.1631 11 C -0.3199 -2.8121 -0.0077 C.2 1 UNL1111111111 -0.2234 12 C -1.9613 2.0517 -1.8453 C.2 1 UNL1111111111 -0.1511 13 C 1.0341 -3.2153 0.4963 C.3 1 UNL1111111111 0.1509 14 C 2.1421 -2.7625 -0.4689 C.3 1 UNL1111111111 -0.2940 15 C 2.4304 -1.2688 -0.3081 C.3 1 UNL1111111111 -0.2767 16 C -0.9444 2.8369 -1.4790 C.2 1 UNL1111111111 -0.1691 17 C 0.3377 2.3643 -0.8744 C.3 1 UNL1111111111 -0.2760 18 C 3.4579 -0.8057 -1.3484 C.3 1 UNL1111111111 -0.2647 19 C 0.3463 2.6881 0.6292 C.3 1 UNL1111111111 -0.2606 20 C 3.8170 0.6709 -1.1396 C.3 1 UNL1111111111 -0.2558 21 C 1.6211 2.1615 1.2879 C.3 1 UNL1111111111 -0.2997 22 C 4.8336 1.1400 -2.1796 C.3 1 UNL1111111111 -0.4386 23 C 1.5896 2.4073 2.7983 C.3 1 UNL1111111111 0.0068 24 H -2.5491 -1.8933 -1.0118 H 1 UNL1111111111 0.1497 25 H -1.7747 0.7162 0.4364 H 1 UNL1111111111 0.1750 26 H -3.8261 -2.6992 0.8344 H 1 UNL1111111111 0.1441 27 H -3.0675 -1.6158 1.9980 H 1 UNL1111111111 0.1457 28 H -5.3728 -1.0203 0.1142 H 1 UNL1111111111 0.1731 29 H -5.0041 -0.2701 1.6602 H 1 UNL1111111111 0.1714 30 H -0.9905 0.1224 -1.9403 H 1 UNL1111111111 0.1556 31 H -2.6750 0.1197 -2.4657 H 1 UNL1111111111 0.1459 32 H -0.6002 -1.1452 1.2814 H 1 UNL1111111111 0.1501 33 H -0.7001 -3.4393 -0.8129 H 1 UNL1111111111 0.1604 34 H -2.8827 2.4802 -2.2456 H 1 UNL1111111111 0.1563 35 H 1.2318 -2.8679 1.5358 H 1 UNL1111111111 0.1226 36 H 1.8578 -3.0018 -1.5104 H 1 UNL1111111111 0.1511 37 H 3.0541 -3.3621 -0.2704 H 1 UNL1111111111 0.1608 38 H 1.4941 -0.6878 -0.4166 H 1 UNL1111111111 0.1366 39 H 2.8064 -1.0602 0.7126 H 1 UNL1111111111 0.1435 40 H -1.0112 3.9193 -1.5941 H 1 UNL1111111111 0.1435 41 H 3.0608 -0.9584 -2.3691 H 1 UNL1111111111 0.1365 42 H 4.3709 -1.4270 -1.2821 H 1 UNL1111111111 0.1392 43 H 1.1981 2.8550 -1.3741 H 1 UNL1111111111 0.1451 44 H 0.4878 1.2770 -1.0296 H 1 UNL1111111111 0.1451 45 H -0.5481 2.2490 1.1111 H 1 UNL1111111111 0.1365 46 H 0.2594 3.7816 0.7766 H 1 UNL1111111111 0.1414 47 H 4.2226 0.8213 -0.1200 H 1 UNL1111111111 0.1404 48 H 2.9052 1.2948 -1.1977 H 1 UNL1111111111 0.1321 49 H 0.4059 -5.0358 0.9978 H 1 UNL1111111111 0.3133 50 H 2.5190 2.6441 0.8539 H 1 UNL1111111111 0.1548 51 H 1.7518 1.0782 1.0947 H 1 UNL1111111111 0.1548 52 H 5.7605 0.5583 -2.1244 H 1 UNL1111111111 0.1420 53 H 4.4415 1.0402 -3.1976 H 1 UNL1111111111 0.1413 54 H 5.0980 2.1925 -2.0294 H 1 UNL1111111111 0.1397 55 H 1.5425 3.4817 3.0440 H 1 UNL1111111111 0.1086 56 H 0.7595 1.8721 3.2912 H 1 UNL1111111111 0.1102 57 H 2.9210 2.0376 4.2241 H 1 UNL1111111111 0.3089 @BOND 1 1 8 2 2 2 13 1 3 2 49 1 4 3 23 1 5 3 57 1 6 4 5 1 7 4 6 1 8 4 10 1 9 4 24 1 10 5 8 1 11 5 9 1 12 5 25 1 13 6 7 1 14 6 26 1 15 6 27 1 16 7 8 1 17 7 28 1 18 7 29 1 19 9 12 1 20 9 30 1 21 9 31 1 22 10 11 2 23 10 32 1 24 11 13 1 25 11 33 1 26 12 16 2 27 12 34 1 28 13 14 1 29 13 35 1 30 14 15 1 31 14 36 1 32 14 37 1 33 15 18 1 34 15 38 1 35 15 39 1 36 16 17 1 37 16 40 1 38 17 19 1 39 17 43 1 40 17 44 1 41 18 20 1 42 18 41 1 43 18 42 1 44 19 21 1 45 19 45 1 46 19 46 1 47 20 22 1 48 20 47 1 49 20 48 1 50 21 23 1 51 21 50 1 52 21 51 1 53 22 52 1 54 22 53 1 55 22 54 1 56 23 55 1 57 23 56 1