@MOLECULE 9,11-dihydroxy-6,15-dioxoprostan-1-oic acid 60 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1769 -2.6586 -1.3113 O.3 1 UNL1111111111 -0.5699 2 O 0.7419 -0.6527 -1.1666 O.3 1 UNL1111111111 -0.5908 3 O 1.0328 -2.9657 2.1273 O.2 1 UNL1111111111 -0.4719 4 O -3.8920 1.6074 -1.1952 O.2 1 UNL1111111111 -0.4726 5 O 3.4795 0.4171 -2.1501 O.3 1 UNL1111111111 -0.5870 6 O 4.2148 2.2416 -1.1094 O.2 1 UNL1111111111 -0.5019 7 C -2.0103 -0.9323 -0.1729 C.3 1 UNL1111111111 -0.1484 8 C -0.7673 -1.6948 0.3300 C.3 1 UNL1111111111 -0.1213 9 C -2.3093 -1.5659 -1.5525 C.3 1 UNL1111111111 0.1608 10 C 0.0662 -1.8818 -0.9633 C.3 1 UNL1111111111 0.1628 11 C -0.9566 -2.0702 -2.1001 C.3 1 UNL1111111111 -0.3907 12 C -3.1878 -0.9893 0.7968 C.3 1 UNL1111111111 -0.2480 13 C -0.0065 -0.9462 1.4221 C.3 1 UNL1111111111 -0.3945 14 C -4.3792 -0.1657 0.2934 C.3 1 UNL1111111111 -0.3915 15 C 1.1393 -1.7801 1.9385 C.2 1 UNL1111111111 0.4936 16 C 2.4527 -1.0689 2.1898 C.3 1 UNL1111111111 -0.3858 17 C -3.9653 1.2471 -0.0465 C.2 1 UNL1111111111 0.4892 18 C -3.6836 2.1903 1.0997 C.3 1 UNL1111111111 -0.3853 19 C 3.1694 -0.9484 0.8417 C.3 1 UNL1111111111 -0.2675 20 C -2.5396 3.1536 0.7585 C.3 1 UNL1111111111 -0.2553 21 C 4.4662 -0.1421 0.9449 C.3 1 UNL1111111111 -0.2500 22 C -1.1798 2.4531 0.8520 C.3 1 UNL1111111111 -0.2766 23 C 5.0763 0.0606 -0.4501 C.3 1 UNL1111111111 -0.3467 24 C -0.0388 3.3716 0.3985 C.3 1 UNL1111111111 -0.2450 25 C 1.2873 2.6112 0.3949 C.3 1 UNL1111111111 -0.4502 26 C 4.2546 1.0458 -1.2186 C.2 1 UNL1111111111 0.6552 27 H -1.7209 0.1388 -0.3560 H 1 UNL1111111111 0.1615 28 H -1.0689 -2.7036 0.7079 H 1 UNL1111111111 0.1716 29 H -2.8238 -0.8595 -2.2346 H 1 UNL1111111111 0.1281 30 H 0.8051 -2.6991 -0.8858 H 1 UNL1111111111 0.1162 31 H -1.0254 -3.1279 -2.3988 H 1 UNL1111111111 0.1542 32 H -0.6525 -1.5009 -2.9933 H 1 UNL1111111111 0.1596 33 H -3.5087 -2.0454 0.9335 H 1 UNL1111111111 0.1682 34 H -2.8707 -0.6367 1.7962 H 1 UNL1111111111 0.1320 35 H -0.6870 -0.7054 2.2642 H 1 UNL1111111111 0.1675 36 H 0.3527 0.0324 1.0327 H 1 UNL1111111111 0.1877 37 H -4.8034 -0.6575 -0.6108 H 1 UNL1111111111 0.1821 38 H -5.1911 -0.1643 1.0431 H 1 UNL1111111111 0.1568 39 H -3.3891 -3.1224 -2.1413 H 1 UNL1111111111 0.3119 40 H 1.4960 -0.7439 -1.7777 H 1 UNL1111111111 0.3258 41 H 2.2900 -0.0759 2.6451 H 1 UNL1111111111 0.1595 42 H 3.0677 -1.6443 2.9094 H 1 UNL1111111111 0.1666 43 H -3.4578 1.6372 2.0299 H 1 UNL1111111111 0.1582 44 H -4.6096 2.7663 1.3083 H 1 UNL1111111111 0.1648 45 H 2.4910 -0.4614 0.1061 H 1 UNL1111111111 0.1709 46 H 3.3800 -1.9588 0.4384 H 1 UNL1111111111 0.1476 47 H -2.5643 4.0263 1.4361 H 1 UNL1111111111 0.1339 48 H -2.6875 3.5586 -0.2651 H 1 UNL1111111111 0.1613 49 H 4.2789 0.8388 1.4270 H 1 UNL1111111111 0.1545 50 H 5.1921 -0.6632 1.5981 H 1 UNL1111111111 0.1476 51 H -1.1877 1.5439 0.2100 H 1 UNL1111111111 0.1483 52 H -0.9980 2.1040 1.8838 H 1 UNL1111111111 0.1293 53 H 6.1159 0.4451 -0.3645 H 1 UNL1111111111 0.1757 54 H 5.1507 -0.9084 -0.9886 H 1 UNL1111111111 0.1807 55 H -0.2489 3.7625 -0.6158 H 1 UNL1111111111 0.1385 56 H 0.0288 4.2559 1.0578 H 1 UNL1111111111 0.1302 57 H 1.5652 2.2774 1.3987 H 1 UNL1111111111 0.1332 58 H 2.1080 3.2364 0.0193 H 1 UNL1111111111 0.1547 59 H 1.2369 1.7261 -0.2538 H 1 UNL1111111111 0.1517 60 H 2.9245 1.0412 -2.6819 H 1 UNL1111111111 0.3590 @BOND 1 1 9 1 2 1 39 1 3 2 10 1 4 2 40 1 5 3 15 2 6 4 17 2 7 5 26 1 8 5 60 1 9 6 26 2 10 7 8 1 11 7 9 1 12 7 12 1 13 7 27 1 14 8 10 1 15 8 13 1 16 8 28 1 17 9 11 1 18 9 29 1 19 10 11 1 20 10 30 1 21 11 31 1 22 11 32 1 23 12 14 1 24 12 33 1 25 12 34 1 26 13 15 1 27 13 35 1 28 13 36 1 29 14 17 1 30 14 37 1 31 14 38 1 32 15 16 1 33 16 19 1 34 16 41 1 35 16 42 1 36 17 18 1 37 18 20 1 38 18 43 1 39 18 44 1 40 19 21 1 41 19 45 1 42 19 46 1 43 20 22 1 44 20 47 1 45 20 48 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 26 1 53 23 53 1 54 23 54 1 55 24 25 1 56 24 55 1 57 24 56 1 58 25 57 1 59 25 58 1 60 25 59 1