@MOLECULE 12-hydroxy-5,8,14-eicosatrienoic acid 57 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5830 -1.8679 -2.0313 O.3 1 UNL1111111111 -0.5625 2 O 2.1575 -2.1812 -1.7381 O.3 1 UNL1111111111 -0.5727 3 O 4.0181 -1.1349 -1.1134 O.2 1 UNL1111111111 -0.5164 4 C -2.1045 -1.7013 -0.7139 C.3 1 UNL1111111111 0.1799 5 C -3.2559 -1.3353 0.2339 C.3 1 UNL1111111111 -0.3278 6 C -1.3848 -2.9917 -0.2751 C.3 1 UNL1111111111 -0.3471 7 C 1.6916 -0.6580 2.5874 C.3 1 UNL1111111111 -0.2617 8 C 0.5189 0.3297 2.6206 C.3 1 UNL1111111111 -0.2688 9 C 1.1883 -2.1068 2.4844 C.3 1 UNL1111111111 -0.2814 10 C -3.9347 -0.0359 -0.2184 C.3 1 UNL1111111111 -0.2697 11 C -0.7330 -2.7964 1.0536 C.2 1 UNL1111111111 -0.1770 12 C 0.5162 -2.3389 1.1722 C.2 1 UNL1111111111 -0.1463 13 C 1.0156 1.7600 2.8624 C.3 1 UNL1111111111 -0.2531 14 C -3.0615 1.1485 0.0479 C.2 1 UNL1111111111 -0.1653 15 C -0.1603 2.7313 2.9616 C.3 1 UNL1111111111 -0.4449 16 C -2.6005 1.9292 -0.9325 C.2 1 UNL1111111111 -0.1521 17 C -1.7434 3.1313 -0.6868 C.3 1 UNL1111111111 -0.2920 18 C 2.0092 2.6748 -1.5631 C.3 1 UNL1111111111 -0.2776 19 C 2.7579 1.4034 -1.1411 C.3 1 UNL1111111111 -0.2441 20 C -0.4554 2.9781 -1.4344 C.2 1 UNL1111111111 -0.1535 21 C 0.7199 2.8173 -0.8221 C.2 1 UNL1111111111 -0.1682 22 C 1.9879 0.1471 -1.5569 C.3 1 UNL1111111111 -0.3439 23 C 2.8599 -1.0563 -1.4284 C.2 1 UNL1111111111 0.6471 24 H -1.3889 -0.8551 -0.8330 H 1 UNL1111111111 0.1486 25 H -2.8679 -1.2271 1.2648 H 1 UNL1111111111 0.1531 26 H -3.9957 -2.1542 0.2729 H 1 UNL1111111111 0.1379 27 H -0.6392 -3.2588 -1.0559 H 1 UNL1111111111 0.1695 28 H -2.0939 -3.8393 -0.2492 H 1 UNL1111111111 0.1419 29 H 2.3089 -0.5452 3.4981 H 1 UNL1111111111 0.1337 30 H 2.3632 -0.4258 1.7394 H 1 UNL1111111111 0.1391 31 H -0.1988 0.0404 3.4103 H 1 UNL1111111111 0.1372 32 H -0.0469 0.2759 1.6704 H 1 UNL1111111111 0.1428 33 H 0.5174 -2.3335 3.3358 H 1 UNL1111111111 0.1416 34 H 2.0437 -2.8070 2.5914 H 1 UNL1111111111 0.1460 35 H -4.9021 0.0892 0.3096 H 1 UNL1111111111 0.1402 36 H -4.1920 -0.1132 -1.2969 H 1 UNL1111111111 0.1572 37 H -1.3478 -3.0407 1.9154 H 1 UNL1111111111 0.1403 38 H 1.6997 2.0668 2.0487 H 1 UNL1111111111 0.1319 39 H 1.6173 1.8020 3.7900 H 1 UNL1111111111 0.1340 40 H 1.1221 -2.1017 0.2990 H 1 UNL1111111111 0.1534 41 H -2.8304 1.3252 1.0953 H 1 UNL1111111111 0.1412 42 H -3.2695 -2.5562 -2.0796 H 1 UNL1111111111 0.3086 43 H -0.8046 2.6717 2.0758 H 1 UNL1111111111 0.1429 44 H 0.1837 3.7668 3.0537 H 1 UNL1111111111 0.1400 45 H -0.7856 2.5131 3.8347 H 1 UNL1111111111 0.1439 46 H -2.8197 1.7311 -1.9810 H 1 UNL1111111111 0.1512 47 H -1.5690 3.2943 0.3974 H 1 UNL1111111111 0.1472 48 H -2.2757 4.0473 -1.0294 H 1 UNL1111111111 0.1544 49 H 1.8528 2.6751 -2.6607 H 1 UNL1111111111 0.1448 50 H 2.6467 3.5629 -1.3627 H 1 UNL1111111111 0.1465 51 H 3.7716 1.3985 -1.5951 H 1 UNL1111111111 0.1539 52 H 2.9279 1.4004 -0.0464 H 1 UNL1111111111 0.1470 53 H -0.5523 2.9958 -2.5179 H 1 UNL1111111111 0.1445 54 H 0.8081 2.7856 0.2634 H 1 UNL1111111111 0.1509 55 H 1.0638 0.0319 -0.9446 H 1 UNL1111111111 0.1907 56 H 1.6123 0.2313 -2.6015 H 1 UNL1111111111 0.1886 57 H 2.6889 -3.0114 -1.6823 H 1 UNL1111111111 0.3547 @BOND 1 1 4 1 2 1 42 1 3 2 23 1 4 2 57 1 5 3 23 2 6 4 5 1 7 4 6 1 8 4 24 1 9 5 10 1 10 5 25 1 11 5 26 1 12 6 11 1 13 6 27 1 14 6 28 1 15 7 8 1 16 7 9 1 17 7 29 1 18 7 30 1 19 8 13 1 20 8 31 1 21 8 32 1 22 9 12 1 23 9 33 1 24 9 34 1 25 10 14 1 26 10 35 1 27 10 36 1 28 11 12 2 29 11 37 1 30 12 40 1 31 13 15 1 32 13 38 1 33 13 39 1 34 14 16 2 35 14 41 1 36 15 43 1 37 15 44 1 38 15 45 1 39 16 17 1 40 16 46 1 41 17 20 1 42 17 47 1 43 17 48 1 44 18 19 1 45 18 21 1 46 18 49 1 47 18 50 1 48 19 22 1 49 19 51 1 50 19 52 1 51 20 21 2 52 20 53 1 53 21 54 1 54 22 23 1 55 22 55 1 56 22 56 1