@MOLECULE (11alpha,13e,15s)-11,15-dihydroxy-6,9-dioxoprost-13-en-1-oic acid 58 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.4178 -2.0793 0.3911 O.3 1 UNL1111111111 -0.5561 2 O -3.6838 2.0526 -1.2161 O.2 1 UNL1111111111 -0.4445 3 O -0.0492 2.4235 0.0129 O.2 1 UNL1111111111 -0.4849 4 O 1.6429 -3.4021 1.0321 O.3 1 UNL1111111111 -0.5995 5 O 2.9987 -2.2140 -0.9542 O.3 1 UNL1111111111 -0.5937 6 O 1.1254 -1.8060 -2.0943 O.2 1 UNL1111111111 -0.5725 7 C -2.3953 -0.8931 0.2645 C.3 1 UNL1111111111 -0.1535 8 C -2.1082 0.5765 -0.1275 C.3 1 UNL1111111111 -0.2071 9 C -3.8319 -0.8801 0.8497 C.3 1 UNL1111111111 0.1646 10 C -4.5464 0.3392 0.2354 C.3 1 UNL1111111111 -0.4656 11 C -3.4762 1.1353 -0.4735 C.2 1 UNL1111111111 0.4862 12 C -1.1085 0.7187 -1.2654 C.3 1 UNL1111111111 -0.3870 13 C -1.3554 -1.3752 1.2183 C.2 1 UNL1111111111 -0.1359 14 C -0.1823 1.8921 -1.0623 C.2 1 UNL1111111111 0.5034 15 C -0.2396 -1.9608 0.7774 C.2 1 UNL1111111111 -0.2469 16 C 0.5877 2.3871 -2.2646 C.3 1 UNL1111111111 -0.3883 17 C 0.8988 -2.3474 1.6645 C.3 1 UNL1111111111 0.1639 18 C 1.9336 -1.2237 1.8304 C.3 1 UNL1111111111 -0.3124 19 C 1.3714 1.2695 -2.9548 C.3 1 UNL1111111111 -0.2610 20 C 1.3260 0.0435 2.4335 C.3 1 UNL1111111111 -0.2735 21 C 2.6099 0.8707 -2.1417 C.3 1 UNL1111111111 -0.2540 22 C 2.3702 1.1679 2.4627 C.3 1 UNL1111111111 -0.2648 23 C 1.7270 2.4861 2.9125 C.3 1 UNL1111111111 -0.2551 24 C 3.1297 -0.5130 -2.5552 C.3 1 UNL1111111111 -0.3525 25 C 2.7446 3.6265 2.8831 C.3 1 UNL1111111111 -0.4367 26 C 2.2900 -1.5605 -1.8844 C.2 1 UNL1111111111 0.6756 27 H -2.4159 -1.5402 -0.6534 H 1 UNL1111111111 0.1851 28 H -1.7292 1.1349 0.7749 H 1 UNL1111111111 0.1982 29 H -3.8495 -0.8720 1.9564 H 1 UNL1111111111 0.1182 30 H -5.3256 0.0211 -0.4861 H 1 UNL1111111111 0.1920 31 H -5.0685 0.9565 0.9840 H 1 UNL1111111111 0.1751 32 H -1.6306 0.8028 -2.2418 H 1 UNL1111111111 0.1809 33 H -0.4846 -0.2063 -1.3535 H 1 UNL1111111111 0.2027 34 H -1.5393 -1.1798 2.2726 H 1 UNL1111111111 0.1478 35 H -5.3140 -2.1986 0.7570 H 1 UNL1111111111 0.3161 36 H -0.0763 -2.1697 -0.2853 H 1 UNL1111111111 0.1866 37 H -0.1257 2.8568 -2.9741 H 1 UNL1111111111 0.1707 38 H 1.2712 3.2069 -1.9576 H 1 UNL1111111111 0.1729 39 H 0.5683 -2.7478 2.6493 H 1 UNL1111111111 0.1303 40 H 2.7699 -1.5922 2.4573 H 1 UNL1111111111 0.1581 41 H 2.3926 -0.9828 0.8502 H 1 UNL1111111111 0.1605 42 H 0.7220 0.3841 -3.1258 H 1 UNL1111111111 0.1651 43 H 1.6775 1.5986 -3.9669 H 1 UNL1111111111 0.1405 44 H 0.9453 -0.1513 3.4515 H 1 UNL1111111111 0.1346 45 H 0.4536 0.3756 1.8319 H 1 UNL1111111111 0.1547 46 H 3.4087 1.6255 -2.2766 H 1 UNL1111111111 0.1468 47 H 2.3819 0.8857 -1.0557 H 1 UNL1111111111 0.1541 48 H 2.8139 1.2984 1.4574 H 1 UNL1111111111 0.1351 49 H 3.2061 0.9002 3.1334 H 1 UNL1111111111 0.1343 50 H 1.0450 -4.1141 0.7281 H 1 UNL1111111111 0.3354 51 H 1.3035 2.3781 3.9269 H 1 UNL1111111111 0.1274 52 H 0.8726 2.7318 2.2465 H 1 UNL1111111111 0.1575 53 H 3.0908 -0.6432 -3.6555 H 1 UNL1111111111 0.1745 54 H 4.1981 -0.6282 -2.2711 H 1 UNL1111111111 0.1795 55 H 3.6080 3.4140 3.5215 H 1 UNL1111111111 0.1369 56 H 3.1149 3.8001 1.8663 H 1 UNL1111111111 0.1424 57 H 2.2964 4.5637 3.2309 H 1 UNL1111111111 0.1391 58 H 2.4657 -2.7684 -0.2917 H 1 UNL1111111111 0.3986 @BOND 1 1 9 1 2 1 35 1 3 2 11 2 4 3 14 2 5 4 17 1 6 4 50 1 7 5 26 1 8 5 58 1 9 6 26 2 10 7 8 1 11 7 9 1 12 7 13 1 13 7 27 1 14 8 11 1 15 8 12 1 16 8 28 1 17 9 10 1 18 9 29 1 19 10 11 1 20 10 30 1 21 10 31 1 22 12 14 1 23 12 32 1 24 12 33 1 25 13 15 2 26 13 34 1 27 14 16 1 28 15 17 1 29 15 36 1 30 16 19 1 31 16 37 1 32 16 38 1 33 17 18 1 34 17 39 1 35 18 20 1 36 18 40 1 37 18 41 1 38 19 21 1 39 19 42 1 40 19 43 1 41 20 22 1 42 20 44 1 43 20 45 1 44 21 24 1 45 21 46 1 46 21 47 1 47 22 23 1 48 22 48 1 49 22 49 1 50 23 25 1 51 23 51 1 52 23 52 1 53 24 26 1 54 24 53 1 55 24 54 1 56 25 55 1 57 25 56 1 58 25 57 1