@MOLECULE (9alpha,13e,15s)-9,15-dihydroxyprost-13-en-1-oic acid 60 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4204 3.5978 1.0921 O.3 1 UNL1111111111 -0.5554 2 O 2.6396 -3.2827 1.4461 O.3 1 UNL1111111111 -0.5634 3 O -9.0337 -1.2767 -1.2159 O.3 1 UNL1111111111 -0.5768 4 O -8.0751 -1.7798 0.7294 O.2 1 UNL1111111111 -0.5053 5 C 0.3592 1.5944 -0.0975 C.3 1 UNL1111111111 -0.1733 6 C 1.6904 1.2924 0.6343 C.3 1 UNL1111111111 -0.1191 7 C 0.2455 3.1364 -0.0581 C.3 1 UNL1111111111 0.1557 8 C 2.6127 2.4902 0.3025 C.3 1 UNL1111111111 -0.2727 9 C 1.6952 3.6646 -0.0757 C.3 1 UNL1111111111 -0.3398 10 C -0.8241 0.8712 0.5430 C.3 1 UNL1111111111 -0.2743 11 C -2.0835 1.0083 -0.3224 C.3 1 UNL1111111111 -0.2739 12 C 2.2799 0.0021 0.1680 C.2 1 UNL1111111111 -0.1816 13 C -3.2478 0.2169 0.2851 C.3 1 UNL1111111111 -0.2663 14 C 2.5054 -1.0248 0.9897 C.2 1 UNL1111111111 -0.1751 15 C -4.4957 0.3244 -0.6001 C.3 1 UNL1111111111 -0.2716 16 C 3.1245 -2.3098 0.5272 C.3 1 UNL1111111111 0.1526 17 C 4.6615 -2.2579 0.6130 C.3 1 UNL1111111111 -0.3294 18 C -5.6459 -0.4966 -0.0077 C.3 1 UNL1111111111 -0.2567 19 C 5.2513 -1.3952 -0.5050 C.3 1 UNL1111111111 -0.2704 20 C -6.8817 -0.4140 -0.9082 C.3 1 UNL1111111111 -0.3486 21 C 6.7799 -1.3367 -0.3962 C.3 1 UNL1111111111 -0.2699 22 C 7.3679 -0.4584 -1.5088 C.3 1 UNL1111111111 -0.2504 23 C -7.9972 -1.2229 -0.3329 C.2 1 UNL1111111111 0.6469 24 C 8.8919 -0.3989 -1.4076 C.3 1 UNL1111111111 -0.4417 25 H 0.4473 1.2789 -1.1634 H 1 UNL1111111111 0.1452 26 H 1.5074 1.2676 1.7341 H 1 UNL1111111111 0.1406 27 H -0.3857 3.5464 -0.8710 H 1 UNL1111111111 0.1348 28 H 3.2958 2.2453 -0.5278 H 1 UNL1111111111 0.1399 29 H 3.2583 2.7363 1.1596 H 1 UNL1111111111 0.1384 30 H 1.7987 4.5080 0.6284 H 1 UNL1111111111 0.1555 31 H 1.9524 4.0685 -1.0667 H 1 UNL1111111111 0.1434 32 H -0.5713 -0.1997 0.6795 H 1 UNL1111111111 0.1474 33 H -1.0242 1.2680 1.5566 H 1 UNL1111111111 0.1452 34 H -1.8803 0.6568 -1.3501 H 1 UNL1111111111 0.1313 35 H -2.3578 2.0781 -0.4090 H 1 UNL1111111111 0.1460 36 H 2.5101 -0.0426 -0.8952 H 1 UNL1111111111 0.1458 37 H -3.4693 0.5933 1.3019 H 1 UNL1111111111 0.1415 38 H -2.9597 -0.8442 0.4100 H 1 UNL1111111111 0.1396 39 H 0.0108 3.2691 1.9047 H 1 UNL1111111111 0.3147 40 H 2.2594 -1.0078 2.0522 H 1 UNL1111111111 0.1696 41 H -4.7945 1.3850 -0.7009 H 1 UNL1111111111 0.1386 42 H -4.2633 -0.0255 -1.6233 H 1 UNL1111111111 0.1353 43 H 2.7811 -2.6077 -0.4891 H 1 UNL1111111111 0.1208 44 H 4.9626 -1.8664 1.6043 H 1 UNL1111111111 0.1578 45 H 5.0723 -3.2830 0.5625 H 1 UNL1111111111 0.1411 46 H -5.3384 -1.5532 0.1235 H 1 UNL1111111111 0.1519 47 H -5.8919 -0.1382 1.0124 H 1 UNL1111111111 0.1557 48 H 4.8339 -0.3700 -0.4509 H 1 UNL1111111111 0.1448 49 H 4.9574 -1.7938 -1.4938 H 1 UNL1111111111 0.1353 50 H -6.6481 -0.7647 -1.9374 H 1 UNL1111111111 0.1808 51 H -7.2114 0.6406 -1.0319 H 1 UNL1111111111 0.1810 52 H 7.0756 -0.9395 0.5930 H 1 UNL1111111111 0.1392 53 H 7.2067 -2.3550 -0.4530 H 1 UNL1111111111 0.1363 54 H 3.0252 -4.1579 1.2619 H 1 UNL1111111111 0.3126 55 H 7.0706 -0.8515 -2.4992 H 1 UNL1111111111 0.1328 56 H 6.9456 0.5625 -1.4481 H 1 UNL1111111111 0.1343 57 H 9.2139 0.0204 -0.4478 H 1 UNL1111111111 0.1436 58 H 9.3391 -1.3951 -1.4983 H 1 UNL1111111111 0.1429 59 H 9.3190 0.2263 -2.1995 H 1 UNL1111111111 0.1411 60 H -9.8080 -1.7946 -0.8895 H 1 UNL1111111111 0.3555 @BOND 1 1 7 1 2 1 39 1 3 2 16 1 4 2 54 1 5 3 23 1 6 3 60 1 7 4 23 2 8 5 6 1 9 5 7 1 10 5 10 1 11 5 25 1 12 6 8 1 13 6 12 1 14 6 26 1 15 7 9 1 16 7 27 1 17 8 9 1 18 8 28 1 19 8 29 1 20 9 30 1 21 9 31 1 22 10 11 1 23 10 32 1 24 10 33 1 25 11 13 1 26 11 34 1 27 11 35 1 28 12 14 2 29 12 36 1 30 13 15 1 31 13 37 1 32 13 38 1 33 14 16 1 34 14 40 1 35 15 18 1 36 15 41 1 37 15 42 1 38 16 17 1 39 16 43 1 40 17 19 1 41 17 44 1 42 17 45 1 43 18 20 1 44 18 46 1 45 18 47 1 46 19 21 1 47 19 48 1 48 19 49 1 49 20 23 1 50 20 50 1 51 20 51 1 52 21 22 1 53 21 52 1 54 21 53 1 55 22 24 1 56 22 55 1 57 22 56 1 58 24 57 1 59 24 58 1 60 24 59 1