@MOLECULE (6z,8e,10r,11s,12z)-10,11-dihydroxy-6,8,12-octadecatrienoic acid 52 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.7395 0.4769 -1.9603 O.3 1 UNL1111111111 -0.5543 2 O 5.0874 0.8957 1.3103 O.3 1 UNL1111111111 -0.5557 3 O -4.8434 -1.6495 -1.0282 O.3 1 UNL1111111111 -0.5692 4 O -4.9059 -0.8202 1.0368 O.2 1 UNL1111111111 -0.5116 5 C 0.7777 -3.0306 -0.2365 C.3 1 UNL1111111111 -0.2612 6 C 0.3772 -1.9552 0.7813 C.3 1 UNL1111111111 -0.2708 7 C 2.3053 -3.1949 -0.3008 C.3 1 UNL1111111111 -0.2861 8 C -1.1488 -1.8215 0.8566 C.3 1 UNL1111111111 -0.2491 9 C 4.3438 0.0731 -0.7529 C.3 1 UNL1111111111 0.1419 10 C -2.7818 1.6197 -0.6361 C.3 1 UNL1111111111 -0.2656 11 C 2.9329 -1.9710 -0.8839 C.2 1 UNL1111111111 -0.1237 12 C -4.2541 1.7659 -0.2364 C.3 1 UNL1111111111 -0.2582 13 C 4.2177 1.2598 0.2520 C.3 1 UNL1111111111 0.0902 14 C -1.9153 2.6437 0.1130 C.3 1 UNL1111111111 -0.2851 15 C 3.7515 -1.1776 -0.1906 C.2 1 UNL1111111111 -0.2450 16 C -1.5546 -0.7967 1.9146 C.3 1 UNL1111111111 -0.4522 17 C -5.1153 0.6746 -0.8808 C.3 1 UNL1111111111 -0.3472 18 C 2.8132 1.4090 0.7421 C.2 1 UNL1111111111 -0.2123 19 C -0.4946 2.5296 -0.3321 C.2 1 UNL1111111111 -0.1240 20 C 1.8784 2.0635 0.0413 C.2 1 UNL1111111111 -0.1597 21 C 0.4992 2.1724 0.4926 C.2 1 UNL1111111111 -0.1883 22 C -4.9431 -0.6172 -0.1478 C.2 1 UNL1111111111 0.6519 23 H 0.3810 -2.7734 -1.2362 H 1 UNL1111111111 0.1365 24 H 0.3138 -3.9973 0.0353 H 1 UNL1111111111 0.1347 25 H 0.7857 -2.2038 1.7780 H 1 UNL1111111111 0.1380 26 H 0.8312 -0.9835 0.5067 H 1 UNL1111111111 0.1424 27 H 2.5628 -4.0801 -0.9188 H 1 UNL1111111111 0.1459 28 H 2.7019 -3.4172 0.7099 H 1 UNL1111111111 0.1467 29 H -1.5508 -1.5283 -0.1310 H 1 UNL1111111111 0.1270 30 H -1.6043 -2.8020 1.0918 H 1 UNL1111111111 0.1331 31 H 5.4129 -0.0721 -1.0447 H 1 UNL1111111111 0.1648 32 H -2.4218 0.5952 -0.4089 H 1 UNL1111111111 0.1545 33 H -2.6652 1.7450 -1.7286 H 1 UNL1111111111 0.1402 34 H -4.6300 2.7633 -0.5352 H 1 UNL1111111111 0.1432 35 H -4.3566 1.7248 0.8688 H 1 UNL1111111111 0.1611 36 H 2.6624 -1.7658 -1.9200 H 1 UNL1111111111 0.1488 37 H 4.6103 2.1924 -0.2150 H 1 UNL1111111111 0.1379 38 H -2.2865 3.6724 -0.0766 H 1 UNL1111111111 0.1476 39 H -2.0160 2.4922 1.2071 H 1 UNL1111111111 0.1495 40 H 4.0474 -1.3837 0.8386 H 1 UNL1111111111 0.1704 41 H -1.1880 -1.0775 2.9075 H 1 UNL1111111111 0.1441 42 H -2.6477 -0.7102 1.9844 H 1 UNL1111111111 0.1571 43 H -1.1595 0.1982 1.6819 H 1 UNL1111111111 0.1406 44 H -6.1901 0.9595 -0.8526 H 1 UNL1111111111 0.1760 45 H -4.8688 0.5589 -1.9590 H 1 UNL1111111111 0.1832 46 H 2.6023 0.9172 1.6909 H 1 UNL1111111111 0.1645 47 H -0.3220 2.7549 -1.3835 H 1 UNL1111111111 0.1444 48 H 2.1146 2.5466 -0.9104 H 1 UNL1111111111 0.1543 49 H 0.3166 1.9398 1.5430 H 1 UNL1111111111 0.1553 50 H 2.7626 0.5059 -1.8690 H 1 UNL1111111111 0.3193 51 H 5.0482 1.5562 2.0288 H 1 UNL1111111111 0.3192 52 H -4.7372 -2.5326 -0.5979 H 1 UNL1111111111 0.3551 @BOND 1 1 9 1 2 1 50 1 3 2 13 1 4 2 51 1 5 3 22 1 6 3 52 1 7 4 22 2 8 5 6 1 9 5 7 1 10 5 23 1 11 5 24 1 12 6 8 1 13 6 25 1 14 6 26 1 15 7 11 1 16 7 27 1 17 7 28 1 18 8 16 1 19 8 29 1 20 8 30 1 21 9 13 1 22 9 15 1 23 9 31 1 24 10 12 1 25 10 14 1 26 10 32 1 27 10 33 1 28 11 15 2 29 11 36 1 30 12 17 1 31 12 34 1 32 12 35 1 33 13 18 1 34 13 37 1 35 14 19 1 36 14 38 1 37 14 39 1 38 15 40 1 39 16 41 1 40 16 42 1 41 16 43 1 42 17 22 1 43 17 44 1 44 17 45 1 45 18 20 2 46 18 46 1 47 19 21 2 48 19 47 1 49 20 21 1 50 20 48 1 51 21 49 1