@MOLECULE (5z,9alpha,13e,15s)-9,15-dihydroxy-15-methyl-11-oxoprosta-5,13-dien-1-oic acid 60 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7194 3.5533 0.7277 O.3 1 UNL1111111111 -0.5564 2 O 1.2278 3.0318 -0.7695 O.2 1 UNL1111111111 -0.4407 3 O 1.4296 -2.2833 -0.0635 O.3 1 UNL1111111111 -0.6219 4 O -0.9227 -3.3497 -0.4030 O.3 1 UNL1111111111 -0.5858 5 O -0.6235 -1.5687 -1.6945 O.2 1 UNL1111111111 -0.5957 6 C -1.8184 1.4237 0.2103 C.3 1 UNL1111111111 -0.1173 7 C -0.3154 1.6583 0.4899 C.3 1 UNL1111111111 -0.2430 8 C -2.3305 2.7642 -0.3780 C.3 1 UNL1111111111 0.1550 9 C -1.1263 3.4017 -1.0903 C.3 1 UNL1111111111 -0.4575 10 C 0.0977 2.7405 -0.4985 C.2 1 UNL1111111111 0.4985 11 C -2.5814 0.9985 1.4683 C.3 1 UNL1111111111 -0.2742 12 C 0.4717 0.4087 0.2993 C.2 1 UNL1111111111 -0.1149 13 C 1.6708 -1.6133 1.1697 C.3 1 UNL1111111111 0.3438 14 C 0.8674 -0.3523 1.3216 C.2 1 UNL1111111111 -0.2511 15 C -4.0268 0.7852 1.1506 C.2 1 UNL1111111111 -0.1456 16 C 3.1839 -1.3217 1.2283 C.3 1 UNL1111111111 -0.3157 17 C 3.6317 -0.3695 0.1155 C.3 1 UNL1111111111 -0.2702 18 C 1.2623 -2.6466 2.2293 C.3 1 UNL1111111111 -0.4921 19 C -4.5494 -0.3131 0.5982 C.2 1 UNL1111111111 -0.1851 20 C 5.1410 -0.1115 0.1988 C.3 1 UNL1111111111 -0.2691 21 C -3.7755 -1.5288 0.2057 C.3 1 UNL1111111111 -0.2783 22 C 5.5754 0.8784 -0.8906 C.3 1 UNL1111111111 -0.2491 23 C -3.6552 -1.5922 -1.3258 C.3 1 UNL1111111111 -0.2429 24 C 7.0757 1.1588 -0.8069 C.3 1 UNL1111111111 -0.4411 25 C -2.7481 -2.7462 -1.7649 C.3 1 UNL1111111111 -0.3515 26 C -1.3454 -2.4708 -1.3193 C.2 1 UNL1111111111 0.6805 27 H -1.9308 0.6291 -0.5697 H 1 UNL1111111111 0.1618 28 H -0.1799 2.0752 1.5210 H 1 UNL1111111111 0.1842 29 H -3.2108 2.6279 -1.0348 H 1 UNL1111111111 0.1194 30 H -1.1568 3.2431 -2.1837 H 1 UNL1111111111 0.1818 31 H -1.0856 4.4960 -0.9471 H 1 UNL1111111111 0.1803 32 H -2.4753 1.7761 2.2571 H 1 UNL1111111111 0.1639 33 H -2.1209 0.0816 1.8899 H 1 UNL1111111111 0.1485 34 H 0.6883 0.1603 -0.7449 H 1 UNL1111111111 0.1682 35 H 0.6534 -0.0851 2.3553 H 1 UNL1111111111 0.1592 36 H -4.6604 1.6397 1.3977 H 1 UNL1111111111 0.1481 37 H -3.0083 4.4401 0.4401 H 1 UNL1111111111 0.3131 38 H 3.7333 -2.2797 1.1378 H 1 UNL1111111111 0.1542 39 H 3.4422 -0.9034 2.2176 H 1 UNL1111111111 0.1439 40 H 3.3747 -0.7969 -0.8727 H 1 UNL1111111111 0.1446 41 H 3.0843 0.5920 0.1853 H 1 UNL1111111111 0.1520 42 H 1.7421 -3.6141 2.0298 H 1 UNL1111111111 0.1644 43 H 0.1789 -2.8172 2.2232 H 1 UNL1111111111 0.1581 44 H 1.5508 -2.3301 3.2354 H 1 UNL1111111111 0.1546 45 H -5.6177 -0.3776 0.3915 H 1 UNL1111111111 0.1395 46 H 5.6970 -1.0608 0.0919 H 1 UNL1111111111 0.1339 47 H 5.4045 0.2866 1.1958 H 1 UNL1111111111 0.1327 48 H 1.0905 -1.6883 -0.7794 H 1 UNL1111111111 0.3647 49 H -2.7673 -1.5384 0.6695 H 1 UNL1111111111 0.1548 50 H -4.2751 -2.4420 0.5890 H 1 UNL1111111111 0.1472 51 H 5.3184 0.4787 -1.8896 H 1 UNL1111111111 0.1357 52 H 5.0068 1.8236 -0.7900 H 1 UNL1111111111 0.1415 53 H -3.2611 -0.6311 -1.7157 H 1 UNL1111111111 0.1535 54 H -4.6582 -1.7101 -1.7782 H 1 UNL1111111111 0.1430 55 H 7.6624 0.2431 -0.9371 H 1 UNL1111111111 0.1394 56 H 7.3907 1.8654 -1.5825 H 1 UNL1111111111 0.1395 57 H 7.3484 1.5911 0.1620 H 1 UNL1111111111 0.1400 58 H -3.1123 -3.7115 -1.3521 H 1 UNL1111111111 0.1794 59 H -2.7665 -2.8560 -2.8702 H 1 UNL1111111111 0.1748 60 H 0.0450 -3.1438 -0.0907 H 1 UNL1111111111 0.4016 @BOND 1 1 8 1 2 1 37 1 3 2 10 2 4 3 13 1 5 3 48 1 6 4 26 1 7 4 60 1 8 5 26 2 9 6 7 1 10 6 8 1 11 6 11 1 12 6 27 1 13 7 10 1 14 7 12 1 15 7 28 1 16 8 9 1 17 8 29 1 18 9 10 1 19 9 30 1 20 9 31 1 21 11 15 1 22 11 32 1 23 11 33 1 24 12 14 2 25 12 34 1 26 13 14 1 27 13 16 1 28 13 18 1 29 14 35 1 30 15 19 2 31 15 36 1 32 16 17 1 33 16 38 1 34 16 39 1 35 17 20 1 36 17 40 1 37 17 41 1 38 18 42 1 39 18 43 1 40 18 44 1 41 19 21 1 42 19 45 1 43 20 22 1 44 20 46 1 45 20 47 1 46 21 23 1 47 21 49 1 48 21 50 1 49 22 24 1 50 22 51 1 51 22 52 1 52 23 25 1 53 23 53 1 54 23 54 1 55 24 55 1 56 24 56 1 57 24 57 1 58 25 26 1 59 25 58 1 60 25 59 1