@MOLECULE (5s,12r)-5,12-dihydroxy-6,8,10-icosatrienoic acid 58 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2935 -5.0744 -0.1047 O.3 1 UNL1111111111 -0.5630 2 O 4.0372 2.7299 0.0848 O.3 1 UNL1111111111 -0.5604 3 O 9.8769 0.2566 0.6051 O.3 1 UNL1111111111 -0.5749 4 O 8.9382 0.5642 -1.3894 O.2 1 UNL1111111111 -0.5079 5 C -5.7297 -0.7930 -0.3104 C.3 1 UNL1111111111 -0.2691 6 C -5.8208 0.6277 0.2615 C.3 1 UNL1111111111 -0.2719 7 C -4.5376 -1.5416 0.2984 C.3 1 UNL1111111111 -0.2699 8 C -7.0060 1.3837 -0.3517 C.3 1 UNL1111111111 -0.2762 9 C -4.4188 -2.9463 -0.2974 C.3 1 UNL1111111111 -0.3281 10 C -7.0936 2.8061 0.2156 C.3 1 UNL1111111111 -0.2722 11 C -3.2355 -3.7164 0.3170 C.3 1 UNL1111111111 0.1439 12 C -8.2768 3.5654 -0.3993 C.3 1 UNL1111111111 -0.2508 13 C -8.3670 4.9833 0.1651 C.3 1 UNL1111111111 -0.4396 14 C -1.9220 -3.2245 -0.2132 C.2 1 UNL1111111111 -0.1377 15 C 5.0469 0.6716 0.5496 C.3 1 UNL1111111111 -0.2912 16 C 6.3638 0.9095 -0.1924 C.3 1 UNL1111111111 -0.2522 17 C 3.8824 1.3451 -0.1969 C.3 1 UNL1111111111 0.1506 18 C 7.5386 0.3293 0.5994 C.3 1 UNL1111111111 -0.3465 19 C -1.2531 -2.2078 0.3462 C.2 1 UNL1111111111 -0.1945 20 C 2.5664 0.8612 0.3342 C.2 1 UNL1111111111 -0.2294 21 C 0.0070 -1.7210 -0.1910 C.2 1 UNL1111111111 -0.1280 22 C 1.9117 -0.1775 -0.2003 C.2 1 UNL1111111111 -0.1497 23 C 0.6492 -0.6620 0.3339 C.2 1 UNL1111111111 -0.1683 24 C 8.7937 0.4084 -0.2066 C.2 1 UNL1111111111 0.6484 25 H -6.6683 -1.3426 -0.1119 H 1 UNL1111111111 0.1361 26 H -5.6291 -0.7508 -1.4114 H 1 UNL1111111111 0.1393 27 H -5.9254 0.5887 1.3616 H 1 UNL1111111111 0.1358 28 H -4.8804 1.1764 0.0648 H 1 UNL1111111111 0.1384 29 H -4.6480 -1.5969 1.3974 H 1 UNL1111111111 0.1361 30 H -3.6054 -0.9718 0.1117 H 1 UNL1111111111 0.1467 31 H -7.9474 0.8385 -0.1533 H 1 UNL1111111111 0.1361 32 H -6.9032 1.4215 -1.4524 H 1 UNL1111111111 0.1377 33 H -5.3547 -3.5121 -0.1334 H 1 UNL1111111111 0.1430 34 H -4.2951 -2.8918 -1.3966 H 1 UNL1111111111 0.1582 35 H -6.1521 3.3520 0.0193 H 1 UNL1111111111 0.1370 36 H -7.1988 2.7705 1.3157 H 1 UNL1111111111 0.1361 37 H -3.2749 -3.7079 1.4303 H 1 UNL1111111111 0.1242 38 H -9.2192 3.0200 -0.2036 H 1 UNL1111111111 0.1336 39 H -8.1714 3.6029 -1.5000 H 1 UNL1111111111 0.1341 40 H -9.2102 5.5310 -0.2699 H 1 UNL1111111111 0.1408 41 H -8.5065 4.9741 1.2518 H 1 UNL1111111111 0.1423 42 H -7.4576 5.5571 -0.0465 H 1 UNL1111111111 0.1427 43 H -1.5620 -3.7672 -1.0886 H 1 UNL1111111111 0.1696 44 H 5.1025 1.0905 1.5754 H 1 UNL1111111111 0.1615 45 H 4.8465 -0.4095 0.6625 H 1 UNL1111111111 0.1467 46 H 6.3276 0.4630 -1.2068 H 1 UNL1111111111 0.1549 47 H 6.5097 1.9988 -0.3552 H 1 UNL1111111111 0.1659 48 H 3.9694 1.2156 -1.3004 H 1 UNL1111111111 0.1257 49 H -4.1365 -5.4853 0.1608 H 1 UNL1111111111 0.3145 50 H 7.6640 0.8626 1.5678 H 1 UNL1111111111 0.1840 51 H 7.3476 -0.7313 0.8746 H 1 UNL1111111111 0.1791 52 H -1.6285 -1.6975 1.2352 H 1 UNL1111111111 0.1522 53 H 2.1963 1.4119 1.1973 H 1 UNL1111111111 0.1626 54 H 0.4094 -2.2631 -1.0493 H 1 UNL1111111111 0.1512 55 H 2.3081 -0.7137 -1.0660 H 1 UNL1111111111 0.1511 56 H 0.2457 -0.1206 1.1904 H 1 UNL1111111111 0.1519 57 H 3.3055 3.2452 -0.3034 H 1 UNL1111111111 0.3142 58 H 10.7405 0.2918 0.1283 H 1 UNL1111111111 0.3553 @BOND 1 1 11 1 2 1 49 1 3 2 17 1 4 2 57 1 5 3 24 1 6 3 58 1 7 4 24 2 8 5 6 1 9 5 7 1 10 5 25 1 11 5 26 1 12 6 8 1 13 6 27 1 14 6 28 1 15 7 9 1 16 7 29 1 17 7 30 1 18 8 10 1 19 8 31 1 20 8 32 1 21 9 11 1 22 9 33 1 23 9 34 1 24 10 12 1 25 10 35 1 26 10 36 1 27 11 14 1 28 11 37 1 29 12 13 1 30 12 38 1 31 12 39 1 32 13 40 1 33 13 41 1 34 13 42 1 35 14 19 2 36 14 43 1 37 15 16 1 38 15 17 1 39 15 44 1 40 15 45 1 41 16 18 1 42 16 46 1 43 16 47 1 44 17 20 1 45 17 48 1 46 18 24 1 47 18 50 1 48 18 51 1 49 19 21 1 50 19 52 1 51 20 22 2 52 20 53 1 53 21 23 2 54 21 54 1 55 22 23 1 56 22 55 1 57 23 56 1