@MOLECULE (5e,9alpha,11alpha,13e,15r)-9,11,15-trihydroxy-16,16-dimethylprosta-5,13-dien-1-oic acid 65 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2357 2.7854 0.3004 O.3 1 UNL1111111111 -0.5660 2 O 0.1794 4.4858 -0.3446 O.3 1 UNL1111111111 -0.5831 3 O 5.2338 0.3619 0.5803 O.3 1 UNL1111111111 -0.5594 4 O -2.8041 -1.0024 -1.6522 O.3 1 UNL1111111111 -0.5940 5 O -3.6064 -2.8227 -0.6613 O.2 1 UNL1111111111 -0.5176 6 C -0.3080 1.2827 0.1449 C.3 1 UNL1111111111 -0.1611 7 C 0.8762 2.2755 -0.0280 C.3 1 UNL1111111111 -0.1603 8 C -1.5146 1.9458 -0.5645 C.3 1 UNL1111111111 0.1686 9 C 0.4279 3.3044 -1.0950 C.3 1 UNL1111111111 0.1576 10 C -0.8854 2.7834 -1.6965 C.3 1 UNL1111111111 -0.4066 11 C -0.5728 0.9523 1.6165 C.3 1 UNL1111111111 -0.2780 12 C 2.0729 1.4919 -0.4520 C.2 1 UNL1111111111 -0.1557 13 C 3.7078 -1.4502 0.5848 C.3 1 UNL1111111111 0.0849 14 C 3.9811 -0.0215 0.0259 C.3 1 UNL1111111111 0.1233 15 C 2.9135 0.9491 0.4320 C.2 1 UNL1111111111 -0.2261 16 C -1.4654 -0.2428 1.7114 C.2 1 UNL1111111111 -0.1691 17 C 2.2654 -1.9018 0.2664 C.3 1 UNL1111111111 -0.3021 18 C 3.8825 -1.4508 2.1120 C.3 1 UNL1111111111 -0.4563 19 C 4.7345 -2.4070 -0.0346 C.3 1 UNL1111111111 -0.4624 20 C 1.9201 -1.9239 -1.2263 C.3 1 UNL1111111111 -0.2690 21 C -2.6985 -0.1900 2.2209 C.2 1 UNL1111111111 -0.1519 22 C 0.4790 -2.4122 -1.4346 C.3 1 UNL1111111111 -0.2516 23 C -3.6126 -1.3724 2.2307 C.3 1 UNL1111111111 -0.2868 24 C 0.0909 -2.3401 -2.9116 C.3 1 UNL1111111111 -0.4442 25 C -4.8476 -1.1099 1.3508 C.3 1 UNL1111111111 -0.2404 26 C -4.4680 -0.6164 -0.0497 C.3 1 UNL1111111111 -0.3477 27 C -3.6297 -1.6245 -0.7622 C.2 1 UNL1111111111 0.6640 28 H -0.0751 0.3342 -0.4006 H 1 UNL1111111111 0.1535 29 H 1.0678 2.8278 0.9255 H 1 UNL1111111111 0.1760 30 H -2.2741 1.2153 -0.9075 H 1 UNL1111111111 0.1509 31 H 1.2048 3.5302 -1.8481 H 1 UNL1111111111 0.1170 32 H -0.7064 2.1689 -2.5920 H 1 UNL1111111111 0.1569 33 H -1.5594 3.5983 -2.0034 H 1 UNL1111111111 0.1615 34 H 0.3873 0.7469 2.1357 H 1 UNL1111111111 0.1476 35 H -1.0132 1.8301 2.1333 H 1 UNL1111111111 0.1587 36 H 2.1679 1.3230 -1.5238 H 1 UNL1111111111 0.1444 37 H 4.1268 -0.0582 -1.0782 H 1 UNL1111111111 0.1191 38 H 2.8537 1.1412 1.5014 H 1 UNL1111111111 0.1628 39 H -1.6672 3.5391 0.5824 H 1 UNL1111111111 0.3347 40 H -0.1187 5.2136 -0.9193 H 1 UNL1111111111 0.3188 41 H -1.0435 -1.1611 1.3098 H 1 UNL1111111111 0.1421 42 H 1.5514 -1.2412 0.7991 H 1 UNL1111111111 0.1470 43 H 2.1114 -2.9121 0.6936 H 1 UNL1111111111 0.1441 44 H 4.8749 -1.0676 2.3889 H 1 UNL1111111111 0.1658 45 H 3.7935 -2.4604 2.5234 H 1 UNL1111111111 0.1412 46 H 3.1409 -0.8186 2.6086 H 1 UNL1111111111 0.1414 47 H 4.6124 -3.4258 0.3458 H 1 UNL1111111111 0.1444 48 H 5.7565 -2.0811 0.2057 H 1 UNL1111111111 0.1625 49 H 4.6559 -2.4476 -1.1247 H 1 UNL1111111111 0.1394 50 H 2.6208 -2.5818 -1.7728 H 1 UNL1111111111 0.1373 51 H 2.0419 -0.9174 -1.6657 H 1 UNL1111111111 0.1342 52 H -3.1206 0.7262 2.6281 H 1 UNL1111111111 0.1499 53 H 5.3651 1.3242 0.4872 H 1 UNL1111111111 0.3133 54 H -0.2208 -1.8080 -0.8253 H 1 UNL1111111111 0.1347 55 H 0.3763 -3.4508 -1.0651 H 1 UNL1111111111 0.1405 56 H -3.9350 -1.6000 3.2669 H 1 UNL1111111111 0.1452 57 H -3.0970 -2.2915 1.8793 H 1 UNL1111111111 0.1575 58 H 0.8145 -2.8755 -3.5387 H 1 UNL1111111111 0.1473 59 H 0.0558 -1.3051 -3.2692 H 1 UNL1111111111 0.1419 60 H -0.8850 -2.8038 -3.0956 H 1 UNL1111111111 0.1342 61 H -5.5011 -0.3585 1.8354 H 1 UNL1111111111 0.1429 62 H -5.4459 -2.0401 1.2743 H 1 UNL1111111111 0.1493 63 H -3.9292 0.3614 0.0222 H 1 UNL1111111111 0.2009 64 H -5.3772 -0.4022 -0.6505 H 1 UNL1111111111 0.1738 65 H -2.2046 -1.6185 -2.1433 H 1 UNL1111111111 0.3580 @BOND 1 1 8 1 2 1 39 1 3 2 9 1 4 2 40 1 5 3 14 1 6 3 53 1 7 4 27 1 8 4 65 1 9 5 27 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 16 1 24 11 34 1 25 11 35 1 26 12 15 2 27 12 36 1 28 13 14 1 29 13 17 1 30 13 18 1 31 13 19 1 32 14 15 1 33 14 37 1 34 15 38 1 35 16 21 2 36 16 41 1 37 17 20 1 38 17 42 1 39 17 43 1 40 18 44 1 41 18 45 1 42 18 46 1 43 19 47 1 44 19 48 1 45 19 49 1 46 20 22 1 47 20 50 1 48 20 51 1 49 21 23 1 50 21 52 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 25 26 1 61 25 61 1 62 25 62 1 63 26 27 1 64 26 63 1 65 26 64 1