@MOLECULE (13e,15s)-15-hydroxy-9-oxoprosta-10,13-dien-1-oate 55 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.6446 -3.7310 1.2642 O.2 1 UNL1 -0.4318 2 O 2.9414 3.9284 -1.6771 O.3 1 UNL1 -0.5479 3 O -6.4916 -0.1681 -1.5948 O.co2 1 UNL1 -0.1452 4 O -6.4509 -1.9794 -0.2627 O.co2 1 UNL1 -0.4459 5 C 2.7316 -1.6443 0.4181 C.3 1 UNL1 -0.2243 6 C 3.3497 -0.7206 -0.6755 C.3 1 UNL1 -0.1468 7 C 1.3853 -2.2422 0.0245 C.3 1 UNL1 -0.2696 8 C 0.2799 -1.1821 0.1044 C.3 1 UNL1 -0.2746 9 C 3.7968 -2.7270 0.6270 C.2 1 UNL1 0.4603 10 C 4.7895 -1.1785 -0.7852 C.2 1 UNL1 -0.0618 11 C -1.0690 -1.7615 -0.3355 C.3 1 UNL1 -0.2675 12 C 3.2540 0.7191 -0.2941 C.2 1 UNL1 -0.1533 13 C 5.0261 -2.2958 -0.0851 C.2 1 UNL1 -0.3071 14 C -2.1872 -0.7349 -0.1160 C.3 1 UNL1 -0.2740 15 C 2.6705 1.6292 -1.0766 C.2 1 UNL1 -0.2125 16 C 2.4972 3.0598 -0.6556 C.3 1 UNL1 0.1521 17 C 1.0176 3.3493 -0.3416 C.3 1 UNL1 -0.3321 18 C -3.5363 -1.3035 -0.5694 C.3 1 UNL1 -0.2589 19 C 0.5769 2.6392 0.9410 C.3 1 UNL1 -0.2707 20 C -0.9394 2.7637 1.1312 C.3 1 UNL1 -0.2715 21 C -4.6609 -0.3217 -0.2397 C.3 1 UNL1 -0.3271 22 C -1.3969 2.0119 2.3879 C.3 1 UNL1 -0.2537 23 C -2.9174 2.0736 2.5315 C.3 1 UNL1 -0.4395 24 C -5.9852 -0.9517 -0.6860 C.2 1 UNL1 0.4966 25 H 2.6223 -1.0871 1.3792 H 1 UNL1 0.1704 26 H 2.8417 -0.9092 -1.6552 H 1 UNL1 0.1659 27 H 1.1463 -3.0916 0.7005 H 1 UNL1 0.1628 28 H 1.4295 -2.6803 -0.9900 H 1 UNL1 0.1433 29 H 0.5426 -0.3105 -0.5256 H 1 UNL1 0.1398 30 H 0.2049 -0.7955 1.1391 H 1 UNL1 0.1383 31 H 5.4808 -0.6158 -1.3909 H 1 UNL1 0.1599 32 H -1.2880 -2.6870 0.2316 H 1 UNL1 0.1458 33 H -1.0258 -2.0601 -1.3994 H 1 UNL1 0.1391 34 H 3.6811 0.9717 0.6763 H 1 UNL1 0.1549 35 H 5.9380 -2.8578 0.0028 H 1 UNL1 0.1794 36 H -2.2315 -0.4518 0.9543 H 1 UNL1 0.1443 37 H -1.9586 0.1975 -0.6656 H 1 UNL1 0.1369 38 H 2.2710 1.3905 -2.0593 H 1 UNL1 0.1498 39 H 3.1618 3.3530 0.1908 H 1 UNL1 0.1508 40 H 0.8800 4.4442 -0.2413 H 1 UNL1 0.1588 41 H 0.3812 3.0440 -1.1915 H 1 UNL1 0.1414 42 H -3.7276 -2.2794 -0.0741 H 1 UNL1 0.1634 43 H -3.5118 -1.5192 -1.6554 H 1 UNL1 0.1482 44 H 0.8649 1.5701 0.9031 H 1 UNL1 0.1420 45 H 1.1059 3.0643 1.8147 H 1 UNL1 0.1417 46 H -1.2277 3.8292 1.2026 H 1 UNL1 0.1407 47 H -1.4661 2.3674 0.2431 H 1 UNL1 0.1329 48 H -4.7342 -0.1435 0.8545 H 1 UNL1 0.1805 49 H -4.4818 0.6640 -0.7095 H 1 UNL1 0.1671 50 H -0.9146 2.4436 3.2857 H 1 UNL1 0.1384 51 H -1.0616 0.9579 2.3449 H 1 UNL1 0.1332 52 H 2.4523 3.7861 -2.5095 H 1 UNL1 0.3107 53 H -3.2553 1.5194 3.4147 H 1 UNL1 0.1446 54 H -3.2655 3.1074 2.6418 H 1 UNL1 0.1453 55 H -3.4220 1.6485 1.6573 H 1 UNL1 0.1363 @BOND 1 52 2 1 2 38 15 1 3 2 16 1 4 43 18 1 5 26 6 1 6 3 24 ar 7 33 11 1 8 31 10 1 9 41 17 1 10 15 16 1 11 15 12 2 12 28 7 1 13 10 6 1 14 10 13 2 15 49 21 1 16 24 4 ar 17 24 21 1 18 6 12 1 19 6 5 1 20 37 14 1 21 16 17 1 22 16 39 1 23 18 21 1 24 18 14 1 25 18 42 1 26 29 8 1 27 17 40 1 28 17 19 1 29 11 14 1 30 11 8 1 31 11 32 1 32 12 34 1 33 21 48 1 34 14 36 1 35 13 35 1 36 13 9 1 37 7 8 1 38 7 5 1 39 7 27 1 40 8 30 1 41 47 20 1 42 5 9 1 43 5 25 1 44 9 1 2 45 44 19 1 46 19 20 1 47 19 45 1 48 20 46 1 49 20 22 1 50 55 23 1 51 51 22 1 52 22 23 1 53 22 50 1 54 23 54 1 55 23 53 1