@MOLECULE (8beta,11beta)-11-hydroxy-9,15-dioxo(3,3,4,4-~2~h_4_)prostan-1-oic acid 59 59 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.0329 1.5478 -1.8897 O.3 1 UNL1111111111 -0.5740 2 O 0.2965 3.7021 -0.2711 O.2 1 UNL1111111111 -0.4611 3 O 4.5430 -1.2673 -0.5234 O.2 1 UNL1111111111 -0.4859 4 O -6.8176 0.0872 -1.7320 O.3 1 UNL1111111111 -0.5737 5 O -6.7261 -1.3081 -0.0005 O.2 1 UNL1111111111 -0.5116 6 C 2.7589 1.1103 0.1441 C.3 1 UNL1111111111 -0.1862 7 C 1.4532 1.7771 0.6236 C.3 1 UNL1111111111 -0.2295 8 C 3.4899 2.1584 -0.7419 C.3 1 UNL1111111111 0.1691 9 C 2.4206 3.1442 -1.2273 C.3 1 UNL1111111111 -0.4284 10 C 3.6624 0.6222 1.2805 C.3 1 UNL1111111111 -0.2588 11 C 0.2647 0.8141 0.5457 C.3 1 UNL1111111111 -0.2662 12 C 1.2508 2.9742 -0.2984 C.2 1 UNL1111111111 0.4857 13 C -0.9780 1.3787 1.2443 C.3 1 UNL1111111111 -0.2814 14 C 3.4670 -0.8690 1.5658 C.3 1 UNL1111111111 -0.3904 15 C -2.1823 0.4598 1.0102 C.3 1 UNL1111111111 -0.2669 16 C 3.9400 -1.7256 0.4158 C.2 1 UNL1111111111 0.5018 17 C -3.4486 1.0464 1.6465 C.3 1 UNL1111111111 -0.2701 18 C 3.6265 -3.1994 0.4951 C.3 1 UNL1111111111 -0.3943 19 C -4.6940 0.2360 1.2686 C.3 1 UNL1111111111 -0.2568 20 C 2.4996 -3.5396 -0.4893 C.3 1 UNL1111111111 -0.2516 21 C -5.1525 0.5546 -0.1577 C.3 1 UNL1111111111 -0.3436 22 C 1.1679 -2.8980 -0.0819 C.3 1 UNL1111111111 -0.2790 23 C 0.0204 -3.4212 -0.9561 C.3 1 UNL1111111111 -0.2470 24 C -6.2821 -0.3375 -0.5539 C.2 1 UNL1111111111 0.6458 25 C -1.3000 -2.7504 -0.5794 C.3 1 UNL1111111111 -0.4397 26 H 2.5024 0.2484 -0.5235 H 1 UNL1111111111 0.1668 27 H 1.5588 2.1543 1.6678 H 1 UNL1111111111 0.1668 28 H 4.3233 2.6656 -0.2143 H 1 UNL1111111111 0.1220 29 H 2.7797 4.1870 -1.2572 H 1 UNL1111111111 0.1799 30 H 2.1297 2.9139 -2.2764 H 1 UNL1111111111 0.2049 31 H 3.4878 1.2088 2.2019 H 1 UNL1111111111 0.1427 32 H 4.7288 0.7957 1.0169 H 1 UNL1111111111 0.1575 33 H 0.5391 -0.1534 1.0099 H 1 UNL1111111111 0.1361 34 H 0.0315 0.5890 -0.5146 H 1 UNL1111111111 0.1459 35 H -1.1989 2.3974 0.8603 H 1 UNL1111111111 0.1692 36 H -0.7903 1.5019 2.3253 H 1 UNL1111111111 0.1334 37 H 2.4022 -1.0840 1.7898 H 1 UNL1111111111 0.1701 38 H 4.0225 -1.1565 2.4826 H 1 UNL1111111111 0.1675 39 H -1.9824 -0.5458 1.4247 H 1 UNL1111111111 0.1337 40 H -2.3358 0.3182 -0.0768 H 1 UNL1111111111 0.1371 41 H 4.4164 0.6676 -1.6656 H 1 UNL1111111111 0.3460 42 H -3.3371 1.0668 2.7474 H 1 UNL1111111111 0.1376 43 H -3.5729 2.1038 1.3434 H 1 UNL1111111111 0.1446 44 H 4.5361 -3.7804 0.2302 H 1 UNL1111111111 0.1741 45 H 3.3555 -3.5118 1.5191 H 1 UNL1111111111 0.1565 46 H -5.5149 0.4469 1.9824 H 1 UNL1111111111 0.1465 47 H -4.4957 -0.8498 1.3741 H 1 UNL1111111111 0.1555 48 H 2.3863 -4.6397 -0.5482 H 1 UNL1111111111 0.1444 49 H 2.7829 -3.2122 -1.5108 H 1 UNL1111111111 0.1559 50 H -4.3146 0.4359 -0.8810 H 1 UNL1111111111 0.1844 51 H -5.4530 1.6220 -0.2484 H 1 UNL1111111111 0.1836 52 H 0.9508 -3.1042 0.9822 H 1 UNL1111111111 0.1353 53 H 1.2342 -1.7974 -0.1788 H 1 UNL1111111111 0.1365 54 H 0.2453 -3.2397 -2.0248 H 1 UNL1111111111 0.1394 55 H -0.0695 -4.5187 -0.8477 H 1 UNL1111111111 0.1340 56 H -1.5602 -2.9327 0.4692 H 1 UNL1111111111 0.1410 57 H -2.1272 -3.1312 -1.1901 H 1 UNL1111111111 0.1464 58 H -1.2548 -1.6653 -0.7286 H 1 UNL1111111111 0.1436 59 H -7.5691 -0.4674 -2.0511 H 1 UNL1111111111 0.3552 @BOND 1 1 8 1 2 1 41 1 3 2 12 2 4 3 16 2 5 4 24 1 6 4 59 1 7 5 24 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 12 1 18 9 29 1 19 9 30 1 20 10 14 1 21 10 31 1 22 10 32 1 23 11 13 1 24 11 33 1 25 11 34 1 26 13 15 1 27 13 35 1 28 13 36 1 29 14 16 1 30 14 37 1 31 14 38 1 32 15 17 1 33 15 39 1 34 15 40 1 35 16 18 1 36 17 19 1 37 17 42 1 38 17 43 1 39 18 20 1 40 18 44 1 41 18 45 1 42 19 21 1 43 19 46 1 44 19 47 1 45 20 22 1 46 20 48 1 47 20 49 1 48 21 24 1 49 21 50 1 50 21 51 1 51 22 23 1 52 22 52 1 53 22 53 1 54 23 25 1 55 23 54 1 56 23 55 1 57 25 56 1 58 25 57 1 59 25 58 1