@MOLECULE (5z,9alpha,11alpha,13e,15s)-9,15-dihydroxy-11-methoxyprosta-5,13-dien-1-oic acid 62 62 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.3667 1.0114 0.0533 O.3 1 UNL1111111111 -0.4176 2 O 3.7668 -1.8365 -1.1079 O.3 1 UNL1111111111 -0.5613 3 O -0.3544 4.7192 -0.3449 O.3 1 UNL1111111111 -0.5728 4 O -2.9829 -0.3282 2.6062 O.3 1 UNL1111111111 -0.5756 5 O -0.8436 -0.5444 2.0389 O.2 1 UNL1111111111 -0.5230 6 C 1.6208 -0.8826 -0.4434 C.3 1 UNL1111111111 -0.1683 7 C 2.0974 0.5771 -0.2536 C.3 1 UNL1111111111 -0.1658 8 C 3.2545 0.5136 0.7854 C.3 1 UNL1111111111 0.1206 9 C 2.8465 -1.7408 -0.0478 C.3 1 UNL1111111111 0.1666 10 C 3.4757 -0.9710 1.1282 C.3 1 UNL1111111111 -0.4014 11 C 1.1358 -1.1537 -1.8690 C.3 1 UNL1111111111 -0.2754 12 C 0.9874 1.4489 0.2262 C.2 1 UNL1111111111 -0.1456 13 C 0.7251 -2.5828 -2.0325 C.2 1 UNL1111111111 -0.1291 14 C 0.5543 2.5032 -0.4671 C.2 1 UNL1111111111 -0.2433 15 C -0.5913 3.3552 -0.0117 C.3 1 UNL1111111111 0.1618 16 C 5.4446 1.4492 0.8552 C.3 1 UNL1111111111 -0.1917 17 C -0.3783 -3.1465 -1.5334 C.2 1 UNL1111111111 -0.1933 18 C -1.8846 3.0058 -0.7675 C.3 1 UNL1111111111 -0.2963 19 C -1.4080 -2.4566 -0.6997 C.3 1 UNL1111111111 -0.2749 20 C -2.4510 1.6676 -0.2901 C.3 1 UNL1111111111 -0.2734 21 C -3.7365 1.3249 -1.0522 C.3 1 UNL1111111111 -0.2670 22 C -1.3911 -3.0490 0.7187 C.3 1 UNL1111111111 -0.2458 23 C -4.3301 0.0027 -0.5499 C.3 1 UNL1111111111 -0.2587 24 C -2.4162 -2.3745 1.6320 C.3 1 UNL1111111111 -0.3549 25 C -5.6388 -0.3199 -1.2698 C.3 1 UNL1111111111 -0.4400 26 C -1.9438 -1.0296 2.0759 C.2 1 UNL1111111111 0.6619 27 H 0.7925 -1.1027 0.2758 H 1 UNL1111111111 0.1671 28 H 2.5202 0.9630 -1.2164 H 1 UNL1111111111 0.1683 29 H 3.0701 1.1387 1.6771 H 1 UNL1111111111 0.1234 30 H 2.5970 -2.7957 0.1670 H 1 UNL1111111111 0.1371 31 H 2.9951 -1.2386 2.0812 H 1 UNL1111111111 0.1545 32 H 4.5460 -1.2133 1.2303 H 1 UNL1111111111 0.1663 33 H 0.2959 -0.4702 -2.1126 H 1 UNL1111111111 0.1503 34 H 1.9432 -0.9067 -2.5920 H 1 UNL1111111111 0.1544 35 H 0.5396 1.1487 1.1766 H 1 UNL1111111111 0.1650 36 H 4.1903 -0.9617 -1.2626 H 1 UNL1111111111 0.3311 37 H 1.4342 -3.1781 -2.6125 H 1 UNL1111111111 0.1483 38 H 0.9905 2.8047 -1.4185 H 1 UNL1111111111 0.1616 39 H -0.7424 3.3215 1.0911 H 1 UNL1111111111 0.1182 40 H 6.1947 1.7596 0.1162 H 1 UNL1111111111 0.1453 41 H 5.8368 0.6375 1.4749 H 1 UNL1111111111 0.1203 42 H 5.1449 2.3023 1.4723 H 1 UNL1111111111 0.1226 43 H -0.5889 -4.2013 -1.7136 H 1 UNL1111111111 0.1385 44 H -2.6183 3.8223 -0.6162 H 1 UNL1111111111 0.1554 45 H -1.6895 2.9862 -1.8562 H 1 UNL1111111111 0.1537 46 H -1.6973 0.8672 -0.4317 H 1 UNL1111111111 0.1442 47 H -2.6539 1.7029 0.7961 H 1 UNL1111111111 0.1298 48 H -1.2328 -1.3617 -0.6567 H 1 UNL1111111111 0.1552 49 H -2.4091 -2.5820 -1.1608 H 1 UNL1111111111 0.1419 50 H -3.5298 1.2594 -2.1368 H 1 UNL1111111111 0.1390 51 H -4.4759 2.1390 -0.9340 H 1 UNL1111111111 0.1388 52 H 0.5703 4.9642 -0.1603 H 1 UNL1111111111 0.3166 53 H -0.3719 -2.9506 1.1487 H 1 UNL1111111111 0.1608 54 H -1.5929 -4.1368 0.6717 H 1 UNL1111111111 0.1433 55 H -3.6041 -0.8170 -0.7064 H 1 UNL1111111111 0.1283 56 H -4.5023 0.0556 0.5433 H 1 UNL1111111111 0.1413 57 H -2.6116 -3.0021 2.5305 H 1 UNL1111111111 0.1794 58 H -3.4053 -2.2907 1.1284 H 1 UNL1111111111 0.1851 59 H -6.3893 0.4611 -1.1041 H 1 UNL1111111111 0.1428 60 H -5.4899 -0.4085 -2.3518 H 1 UNL1111111111 0.1433 61 H -6.0658 -1.2642 -0.9163 H 1 UNL1111111111 0.1366 62 H -2.7369 0.5701 2.9335 H 1 UNL1111111111 0.3564 @BOND 1 1 8 1 2 1 16 1 3 2 9 1 4 2 36 1 5 3 15 1 6 3 52 1 7 4 26 1 8 4 62 1 9 5 26 2 10 6 7 1 11 6 9 1 12 6 11 1 13 6 27 1 14 7 8 1 15 7 12 1 16 7 28 1 17 8 10 1 18 8 29 1 19 9 10 1 20 9 30 1 21 10 31 1 22 10 32 1 23 11 13 1 24 11 33 1 25 11 34 1 26 12 14 2 27 12 35 1 28 13 17 2 29 13 37 1 30 14 15 1 31 14 38 1 32 15 18 1 33 15 39 1 34 16 40 1 35 16 41 1 36 16 42 1 37 17 19 1 38 17 43 1 39 18 20 1 40 18 44 1 41 18 45 1 42 19 22 1 43 19 48 1 44 19 49 1 45 20 21 1 46 20 46 1 47 20 47 1 48 21 23 1 49 21 50 1 50 21 51 1 51 22 24 1 52 22 53 1 53 22 54 1 54 23 25 1 55 23 55 1 56 23 56 1 57 24 26 1 58 24 57 1 59 24 58 1 60 25 59 1 61 25 60 1 62 25 61 1