@MOLECULE 14,15-dihydroxy-5,8,10,12-icosatetraenoic acid 56 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.0941 -1.6276 -1.6649 O.3 1 UNL111111111 -0.5757 2 O 5.2379 -2.5140 1.6410 O.3 1 UNL111111111 -0.5702 3 O -4.7161 -1.9773 -1.9584 O.3 1 UNL111111111 -0.5752 4 O -6.6541 -1.7210 -0.8977 O.2 1 UNL111111111 -0.5137 5 C 5.5255 0.1987 -0.0895 C.3 1 UNL111111111 -0.3363 6 C 4.4465 0.9680 -0.8642 C.3 1 UNL111111111 -0.2699 7 C 5.4772 -1.3134 -0.3364 C.3 1 UNL111111111 0.1430 8 C 3.8583 2.1078 -0.0224 C.3 1 UNL111111111 -0.2695 9 C 4.4526 -2.1010 0.5277 C.3 1 UNL111111111 0.1168 10 C 2.7080 2.7946 -0.7710 C.3 1 UNL111111111 -0.2535 11 C 3.2909 -1.2921 1.0053 C.2 1 UNL111111111 -0.2080 12 C 2.0859 3.9007 0.0817 C.3 1 UNL111111111 -0.4375 13 C 2.1492 -1.1879 0.3125 C.2 1 UNL111111111 -0.1482 14 C -5.3147 -0.9615 1.5249 C.3 1 UNL111111111 -0.2395 15 C -5.7120 0.5046 1.2799 C.3 1 UNL111111111 -0.2854 16 C 1.0674 -0.3155 0.7433 C.2 1 UNL111111111 -0.1617 17 C -4.5498 -1.5507 0.3361 C.3 1 UNL111111111 -0.3510 18 C -4.4931 1.3592 1.1573 C.2 1 UNL111111111 -0.1582 19 C -2.7954 2.6281 -0.1424 C.3 1 UNL111111111 -0.2938 20 C -4.0663 1.8445 -0.0119 C.2 1 UNL111111111 -0.1597 21 C 0.1621 0.1788 -0.1190 C.2 1 UNL111111111 -0.1427 22 C -1.7177 1.6816 -0.5744 C.2 1 UNL111111111 -0.1140 23 C -0.8750 1.1083 0.2965 C.2 1 UNL111111111 -0.1902 24 C -5.4533 -1.7423 -0.8365 C.2 1 UNL111111111 0.6537 25 H 5.4312 0.3798 1.0007 H 1 UNL111111111 0.1629 26 H 6.5246 0.5908 -0.3558 H 1 UNL111111111 0.1406 27 H 4.8629 1.3711 -1.8046 H 1 UNL111111111 0.1291 28 H 3.6316 0.2790 -1.1698 H 1 UNL111111111 0.1588 29 H 6.4876 -1.7680 -0.1773 H 1 UNL111111111 0.1400 30 H 3.4859 1.7105 0.9416 H 1 UNL111111111 0.1382 31 H 4.6427 2.8430 0.2304 H 1 UNL111111111 0.1346 32 H 4.1353 -3.0169 -0.0291 H 1 UNL111111111 0.1459 33 H 3.0706 3.2102 -1.7289 H 1 UNL111111111 0.1319 34 H 1.9334 2.0469 -1.0352 H 1 UNL111111111 0.1398 35 H 3.4556 -0.7682 1.9458 H 1 UNL111111111 0.1589 36 H 1.6842 3.5017 1.0201 H 1 UNL111111111 0.1419 37 H 1.2597 4.3896 -0.4460 H 1 UNL111111111 0.1401 38 H 2.8201 4.6727 0.3358 H 1 UNL111111111 0.1406 39 H 5.4713 -0.9897 -2.2985 H 1 UNL111111111 0.3235 40 H 4.6984 -3.0268 2.2707 H 1 UNL111111111 0.3197 41 H 2.0023 -1.7209 -0.6301 H 1 UNL111111111 0.1596 42 H -4.6945 -1.0365 2.4386 H 1 UNL111111111 0.1428 43 H -6.2290 -1.5597 1.7203 H 1 UNL111111111 0.1556 44 H -6.3559 0.5690 0.3774 H 1 UNL111111111 0.1598 45 H -6.3503 0.8628 2.1135 H 1 UNL111111111 0.1484 46 H 1.0512 -0.0503 1.8013 H 1 UNL111111111 0.1503 47 H -3.6936 -0.8905 0.0570 H 1 UNL111111111 0.1958 48 H -4.0822 -2.5218 0.6073 H 1 UNL111111111 0.1789 49 H -3.9586 1.5350 2.0884 H 1 UNL111111111 0.1432 50 H -2.9155 3.4501 -0.8798 H 1 UNL111111111 0.1540 51 H -2.5327 3.1354 0.8090 H 1 UNL111111111 0.1524 52 H -4.5988 1.6722 -0.9444 H 1 UNL111111111 0.1483 53 H 0.1808 -0.0894 -1.1770 H 1 UNL111111111 0.1525 54 H -1.6827 1.4754 -1.6423 H 1 UNL111111111 0.1481 55 H -0.9318 1.3242 1.3642 H 1 UNL111111111 0.1500 56 H -5.2606 -2.1242 -2.7682 H 1 UNL111111111 0.3542 @BOND 1 1 7 1 2 1 39 1 3 2 9 1 4 2 40 1 5 3 24 1 6 3 56 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 8 10 1 18 8 30 1 19 8 31 1 20 9 11 1 21 9 32 1 22 10 12 1 23 10 33 1 24 10 34 1 25 11 13 2 26 11 35 1 27 12 36 1 28 12 37 1 29 12 38 1 30 13 16 1 31 13 41 1 32 14 15 1 33 14 17 1 34 14 42 1 35 14 43 1 36 15 18 1 37 15 44 1 38 15 45 1 39 16 21 2 40 16 46 1 41 17 24 1 42 17 47 1 43 17 48 1 44 18 20 2 45 18 49 1 46 19 20 1 47 19 22 1 48 19 50 1 49 19 51 1 50 20 52 1 51 21 23 1 52 21 53 1 53 22 23 2 54 22 54 1 55 23 55 1