@MOLECULE (11alpha,13e,15s)-11,15,20-trihydroxy-9-oxoprost-13-en-1-oic acid 60 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3570 -1.8747 1.7006 O.3 1 UNL1111111111 -0.5572 2 O 1.4310 -3.9844 -0.7989 O.2 1 UNL1111111111 -0.4561 3 O -1.8237 2.5570 -2.4508 O.3 1 UNL1111111111 -0.5638 4 O 9.2701 1.6246 0.4689 O.3 1 UNL1111111111 -0.5764 5 O -8.7439 0.8356 2.2909 O.3 1 UNL1111111111 -0.5532 6 O 7.6228 2.5845 1.6170 O.2 1 UNL1111111111 -0.5080 7 C 0.1427 -1.9447 -0.9872 C.3 1 UNL1111111111 -0.2090 8 C -1.3685 -1.7895 -0.6769 C.3 1 UNL1111111111 -0.1447 9 C -1.6197 -2.6822 0.5716 C.3 1 UNL1111111111 0.1616 10 C -0.5892 -3.8197 0.4866 C.3 1 UNL1111111111 -0.4623 11 C 1.0100 -0.9150 -0.2516 C.3 1 UNL1111111111 -0.2681 12 C 0.4741 -3.3372 -0.4764 C.2 1 UNL1111111111 0.4910 13 C 2.4851 -1.0430 -0.6430 C.3 1 UNL1111111111 -0.2853 14 C -1.7857 -0.3709 -0.4831 C.2 1 UNL1111111111 -0.1529 15 C 3.3346 -0.0161 0.1144 C.3 1 UNL1111111111 -0.2663 16 C -1.9762 0.4558 -1.5138 C.2 1 UNL1111111111 -0.1932 17 C 4.8132 -0.1597 -0.2699 C.3 1 UNL1111111111 -0.2671 18 C -2.3974 1.8831 -1.3360 C.3 1 UNL1111111111 0.1533 19 C -3.9291 2.0297 -1.3940 C.3 1 UNL1111111111 -0.3313 20 C 5.6631 0.8746 0.4748 C.3 1 UNL1111111111 -0.2577 21 C -4.5798 1.5344 -0.1003 C.3 1 UNL1111111111 -0.2642 22 C -6.1071 1.6453 -0.1899 C.3 1 UNL1111111111 -0.2710 23 C 7.1390 0.7378 0.0912 C.3 1 UNL1111111111 -0.3480 24 C -6.7543 1.1555 1.1078 C.3 1 UNL1111111111 -0.2955 25 C 7.9599 1.7482 0.8222 C.2 1 UNL1111111111 0.6471 26 C -8.2794 1.2452 1.0116 C.3 1 UNL1111111111 0.0013 27 H 0.3283 -1.8706 -2.0816 H 1 UNL1111111111 0.1664 28 H -1.9496 -2.2323 -1.5262 H 1 UNL1111111111 0.1498 29 H -2.6659 -3.0379 0.6315 H 1 UNL1111111111 0.1176 30 H -1.0313 -4.7684 0.1375 H 1 UNL1111111111 0.1777 31 H -0.1375 -4.0448 1.4705 H 1 UNL1111111111 0.1842 32 H 0.8799 -1.0251 0.8441 H 1 UNL1111111111 0.1582 33 H 0.6496 0.1076 -0.4887 H 1 UNL1111111111 0.1572 34 H 2.8513 -2.0675 -0.4363 H 1 UNL1111111111 0.1544 35 H 2.6010 -0.9025 -1.7349 H 1 UNL1111111111 0.1410 36 H -1.9100 -0.0508 0.5534 H 1 UNL1111111111 0.1725 37 H 3.2100 -0.1522 1.2052 H 1 UNL1111111111 0.1380 38 H 2.9798 1.0083 -0.1067 H 1 UNL1111111111 0.1396 39 H -1.5093 -2.3697 2.5276 H 1 UNL1111111111 0.3162 40 H -1.8287 0.1621 -2.5532 H 1 UNL1111111111 0.1682 41 H 5.1637 -1.1834 -0.0386 H 1 UNL1111111111 0.1400 42 H 4.9314 -0.0381 -1.3632 H 1 UNL1111111111 0.1379 43 H -1.9779 2.3411 -0.4116 H 1 UNL1111111111 0.1228 44 H -4.3210 1.4710 -2.2656 H 1 UNL1111111111 0.1550 45 H -4.1952 3.0870 -1.5774 H 1 UNL1111111111 0.1414 46 H 5.3054 1.8998 0.2531 H 1 UNL1111111111 0.1522 47 H 5.5415 0.7567 1.5703 H 1 UNL1111111111 0.1529 48 H -4.2890 0.4822 0.0919 H 1 UNL1111111111 0.1477 49 H -4.2072 2.1140 0.7655 H 1 UNL1111111111 0.1401 50 H -6.3995 2.6933 -0.3904 H 1 UNL1111111111 0.1371 51 H -6.4783 1.0547 -1.0488 H 1 UNL1111111111 0.1371 52 H 7.2775 0.8608 -1.0056 H 1 UNL1111111111 0.1816 53 H 7.5138 -0.2858 0.3135 H 1 UNL1111111111 0.1824 54 H -2.0435 3.5055 -2.4342 H 1 UNL1111111111 0.3126 55 H -6.4560 0.1128 1.3315 H 1 UNL1111111111 0.1535 56 H -6.4037 1.7495 1.9748 H 1 UNL1111111111 0.1567 57 H -8.6238 2.2766 0.8216 H 1 UNL1111111111 0.1112 58 H -8.6885 0.5645 0.2455 H 1 UNL1111111111 0.1097 59 H -9.7184 0.8400 2.3154 H 1 UNL1111111111 0.3090 60 H 9.8666 2.2680 0.9209 H 1 UNL1111111111 0.3552 @BOND 1 1 9 1 2 1 39 1 3 2 12 2 4 3 18 1 5 3 54 1 6 4 25 1 7 4 60 1 8 5 26 1 9 5 59 1 10 6 25 2 11 7 8 1 12 7 11 1 13 7 12 1 14 7 27 1 15 8 9 1 16 8 14 1 17 8 28 1 18 9 10 1 19 9 29 1 20 10 12 1 21 10 30 1 22 10 31 1 23 11 13 1 24 11 32 1 25 11 33 1 26 13 15 1 27 13 34 1 28 13 35 1 29 14 16 2 30 14 36 1 31 15 17 1 32 15 37 1 33 15 38 1 34 16 18 1 35 16 40 1 36 17 20 1 37 17 41 1 38 17 42 1 39 18 19 1 40 18 43 1 41 19 21 1 42 19 44 1 43 19 45 1 44 20 23 1 45 20 46 1 46 20 47 1 47 21 22 1 48 21 48 1 49 21 49 1 50 22 24 1 51 22 50 1 52 22 51 1 53 23 25 1 54 23 52 1 55 23 53 1 56 24 26 1 57 24 55 1 58 24 56 1 59 26 57 1 60 26 58 1