@MOLECULE ethyl (5z,9alpha,11alpha,13e,15s)-9,11,15-trihydroxyprosta-5,13-dien-1-oate 65 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2088 -0.4055 1.6476 O.3 1 UNL1111111111 -0.5568 2 O -4.2238 1.9330 -0.5448 O.3 1 UNL1111111111 -0.5790 3 O 1.2238 4.6840 -0.4074 O.3 1 UNL1111111111 -0.5714 4 O -0.3447 -2.2554 -1.4958 O.3 1 UNL1111111111 -0.4464 5 O 1.7292 -1.4094 -1.6038 O.2 1 UNL1111111111 -0.5281 6 C -1.9078 -0.1063 0.8724 C.3 1 UNL1111111111 -0.1674 7 C -2.1011 1.2483 0.1515 C.3 1 UNL1111111111 -0.1635 8 C -3.2639 -0.8335 0.6990 C.3 1 UNL1111111111 0.1703 9 C -3.2118 1.0073 -0.9055 C.3 1 UNL1111111111 0.1617 10 C -3.7254 -0.4312 -0.7162 C.3 1 UNL1111111111 -0.4150 11 C -1.5029 0.0726 2.3364 C.3 1 UNL1111111111 -0.2783 12 C -0.8264 1.7224 -0.4604 C.2 1 UNL1111111111 -0.1659 13 C -1.0671 -1.2284 2.9307 C.2 1 UNL1111111111 -0.1564 14 C -0.1749 2.7904 0.0044 C.2 1 UNL1111111111 -0.2173 15 C 1.1234 3.2726 -0.5704 C.3 1 UNL1111111111 0.1567 16 C 0.1385 -1.7796 2.7671 C.2 1 UNL1111111111 -0.1741 17 C 2.3248 2.7168 0.2128 C.3 1 UNL1111111111 -0.2970 18 C 1.2496 -1.1892 1.9617 C.3 1 UNL1111111111 -0.2769 19 C 2.9321 1.5102 -0.5039 C.3 1 UNL1111111111 -0.2796 20 C 4.0636 0.8949 0.3288 C.3 1 UNL1111111111 -0.2626 21 C 2.0176 -2.2708 1.1889 C.3 1 UNL1111111111 -0.2564 22 C 4.7611 -0.2203 -0.4615 C.3 1 UNL1111111111 -0.2604 23 C 1.1272 -2.9769 0.1614 C.3 1 UNL1111111111 -0.3483 24 C 5.7604 -0.9738 0.4150 C.3 1 UNL1111111111 -0.4418 25 C 0.9287 -2.1172 -1.0480 C.2 1 UNL1111111111 0.6199 26 C -0.7095 -1.5565 -2.6920 C.3 1 UNL1111111111 0.0036 27 C -1.7110 -2.4660 -3.3857 C.3 1 UNL1111111111 -0.4656 28 H -1.1258 -0.7062 0.3458 H 1 UNL1111111111 0.1570 29 H -2.4932 2.0068 0.8803 H 1 UNL1111111111 0.1761 30 H -3.2045 -1.9235 0.8739 H 1 UNL1111111111 0.1406 31 H -2.8917 1.2256 -1.9400 H 1 UNL1111111111 0.1155 32 H -3.3132 -1.1145 -1.4743 H 1 UNL1111111111 0.1569 33 H -4.8225 -0.4925 -0.8017 H 1 UNL1111111111 0.1648 34 H -2.3546 0.4915 2.9150 H 1 UNL1111111111 0.1590 35 H -0.6934 0.8292 2.4111 H 1 UNL1111111111 0.1514 36 H -0.4494 1.1302 -1.2924 H 1 UNL1111111111 0.1464 37 H -4.4393 0.5380 1.4887 H 1 UNL1111111111 0.3302 38 H -4.9821 1.8875 -1.1538 H 1 UNL1111111111 0.3174 39 H -1.8328 -1.7240 3.5295 H 1 UNL1111111111 0.1471 40 H -0.5389 3.3821 0.8445 H 1 UNL1111111111 0.1626 41 H 1.2121 3.0681 -1.6617 H 1 UNL1111111111 0.1236 42 H 0.3837 -2.7288 3.2440 H 1 UNL1111111111 0.1404 43 H 2.0298 2.4546 1.2447 H 1 UNL1111111111 0.1458 44 H 3.0806 3.5243 0.3198 H 1 UNL1111111111 0.1654 45 H 1.9457 -0.6479 2.6387 H 1 UNL1111111111 0.1512 46 H 0.8834 -0.4158 1.2542 H 1 UNL1111111111 0.1576 47 H 3.3158 1.8082 -1.4981 H 1 UNL1111111111 0.1406 48 H 2.1551 0.7444 -0.7020 H 1 UNL1111111111 0.1529 49 H 3.6606 0.4967 1.2780 H 1 UNL1111111111 0.1308 50 H 4.7980 1.6713 0.6121 H 1 UNL1111111111 0.1349 51 H 0.4195 5.1287 -0.7310 H 1 UNL1111111111 0.3138 52 H 2.8945 -1.8133 0.6803 H 1 UNL1111111111 0.1649 53 H 2.4348 -3.0156 1.8933 H 1 UNL1111111111 0.1430 54 H 4.0071 -0.9214 -0.8764 H 1 UNL1111111111 0.1537 55 H 5.2747 0.2067 -1.3430 H 1 UNL1111111111 0.1340 56 H 0.1503 -3.2533 0.6189 H 1 UNL1111111111 0.1875 57 H 1.5885 -3.9358 -0.1592 H 1 UNL1111111111 0.1723 58 H 6.5350 -0.3036 0.8040 H 1 UNL1111111111 0.1413 59 H 5.2694 -1.4432 1.2740 H 1 UNL1111111111 0.1372 60 H 6.2636 -1.7657 -0.1504 H 1 UNL1111111111 0.1382 61 H -1.1526 -0.6006 -2.3597 H 1 UNL1111111111 0.1269 62 H 0.1807 -1.3528 -3.3158 H 1 UNL1111111111 0.1471 63 H -1.2280 -3.3743 -3.7682 H 1 UNL1111111111 0.1559 64 H -2.4977 -2.7984 -2.6946 H 1 UNL1111111111 0.1609 65 H -2.1903 -1.9600 -4.2307 H 1 UNL1111111111 0.1518 @BOND 1 1 8 1 2 1 37 1 3 2 9 1 4 2 38 1 5 3 15 1 6 3 51 1 7 4 25 1 8 4 26 1 9 5 25 2 10 6 7 1 11 6 8 1 12 6 11 1 13 6 28 1 14 7 9 1 15 7 12 1 16 7 29 1 17 8 10 1 18 8 30 1 19 9 10 1 20 9 31 1 21 10 32 1 22 10 33 1 23 11 13 1 24 11 34 1 25 11 35 1 26 12 14 2 27 12 36 1 28 13 16 2 29 13 39 1 30 14 15 1 31 14 40 1 32 15 17 1 33 15 41 1 34 16 18 1 35 16 42 1 36 17 19 1 37 17 43 1 38 17 44 1 39 18 21 1 40 18 45 1 41 18 46 1 42 19 20 1 43 19 47 1 44 19 48 1 45 20 22 1 46 20 49 1 47 20 50 1 48 21 23 1 49 21 52 1 50 21 53 1 51 22 24 1 52 22 54 1 53 22 55 1 54 23 25 1 55 23 56 1 56 23 57 1 57 24 58 1 58 24 59 1 59 24 60 1 60 26 27 1 61 26 61 1 62 26 62 1 63 27 63 1 64 27 64 1 65 27 65 1