@MOLECULE (5s,6z,8e,10e,14z)-5-hydroxy-12-oxo-6,8,10,14-icosatetraenoic acid 54 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0858 -0.4378 -0.0522 O.3 1 UNL1111111111 -0.5575 2 O -0.6554 3.1105 -0.0405 O.3 1 UNL1111111111 -0.5975 3 O -0.3349 1.5592 1.5284 O.2 1 UNL1111111111 -0.5593 4 O 2.0016 3.0220 -0.4248 O.2 1 UNL1111111111 -0.4880 5 C 1.5403 -2.3390 0.6935 C.3 1 UNL1111111111 -0.2753 6 C 2.9972 -2.7376 0.4304 C.3 1 UNL1111111111 -0.2649 7 C -2.8739 -0.2411 0.9038 C.3 1 UNL1111111111 -0.3305 8 C -3.1506 1.0522 1.6771 C.3 1 UNL1111111111 -0.2413 9 C 0.7021 -3.5468 1.1288 C.3 1 UNL1111111111 -0.2489 10 C 3.8200 -1.5331 -0.0561 C.3 1 UNL1111111111 -0.2875 11 C -3.7148 -0.3274 -0.3782 C.3 1 UNL1111111111 0.1494 12 C -2.5903 2.2980 0.9854 C.3 1 UNL1111111111 -0.3492 13 C -0.7586 -3.1402 1.3269 C.3 1 UNL1111111111 -0.4443 14 C 3.9991 -0.5142 1.0204 C.2 1 UNL1111111111 -0.1159 15 C -3.3046 -1.4811 -1.2466 C.2 1 UNL1111111111 -0.1956 16 C 4.0152 0.8105 0.8426 C.2 1 UNL1111111111 -0.1871 17 C -1.0946 2.2517 0.8947 C.2 1 UNL1111111111 0.6671 18 C 3.8379 1.5115 -0.4674 C.3 1 UNL1111111111 -0.3704 19 C -2.1495 -1.5529 -1.9211 C.2 1 UNL1111111111 -0.1744 20 C 2.3811 1.8809 -0.5962 C.2 1 UNL1111111111 0.5234 21 C -1.1178 -0.5306 -1.8563 C.2 1 UNL1111111111 -0.1320 22 C 1.4213 0.8009 -0.8783 C.2 1 UNL1111111111 -0.2991 23 C 0.1433 -0.7303 -2.2680 C.2 1 UNL1111111111 -0.1761 24 C 1.1639 0.3010 -2.0894 C.2 1 UNL1111111111 -0.0972 25 H 1.1006 -1.8898 -0.2176 H 1 UNL1111111111 0.1416 26 H 1.4972 -1.5484 1.4682 H 1 UNL1111111111 0.1489 27 H 3.4466 -3.1651 1.3455 H 1 UNL1111111111 0.1370 28 H 3.0359 -3.5414 -0.3285 H 1 UNL1111111111 0.1323 29 H -3.0879 -1.1143 1.5497 H 1 UNL1111111111 0.1455 30 H -1.7919 -0.3210 0.6702 H 1 UNL1111111111 0.1706 31 H -4.2455 1.1716 1.8170 H 1 UNL1111111111 0.1526 32 H -2.7130 0.9681 2.6938 H 1 UNL1111111111 0.1541 33 H 1.1076 -3.9728 2.0654 H 1 UNL1111111111 0.1328 34 H 0.7704 -4.3510 0.3727 H 1 UNL1111111111 0.1291 35 H 4.8193 -1.8785 -0.3978 H 1 UNL1111111111 0.1474 36 H 3.3328 -1.0991 -0.9530 H 1 UNL1111111111 0.1494 37 H -3.7050 0.6320 -0.9537 H 1 UNL1111111111 0.1562 38 H -2.8876 3.2146 1.5417 H 1 UNL1111111111 0.1779 39 H -3.0321 2.4287 -0.0261 H 1 UNL1111111111 0.1788 40 H -0.8506 -2.3509 2.0828 H 1 UNL1111111111 0.1477 41 H -1.3673 -3.9886 1.6552 H 1 UNL1111111111 0.1378 42 H -1.1951 -2.7577 0.3956 H 1 UNL1111111111 0.1449 43 H 4.1304 -0.9360 2.0203 H 1 UNL1111111111 0.1494 44 H -4.0515 -2.2728 -1.3178 H 1 UNL1111111111 0.1582 45 H 4.1514 1.4857 1.6898 H 1 UNL1111111111 0.1577 46 H -5.2520 -1.1814 0.5563 H 1 UNL1111111111 0.3118 47 H 4.1635 0.8861 -1.3226 H 1 UNL1111111111 0.1686 48 H 4.4733 2.4247 -0.5075 H 1 UNL1111111111 0.1795 49 H -1.9269 -2.4184 -2.5500 H 1 UNL1111111111 0.1539 50 H -1.4140 0.4367 -1.4346 H 1 UNL1111111111 0.1622 51 H 0.9038 0.4480 0.0273 H 1 UNL1111111111 0.2120 52 H 0.4758 -1.6569 -2.7343 H 1 UNL1111111111 0.1600 53 H 0.3468 3.1396 -0.1678 H 1 UNL1111111111 0.3969 54 H 1.6796 0.6269 -2.9939 H 1 UNL1111111111 0.1573 @BOND 1 1 11 1 2 1 46 1 3 2 17 1 4 2 53 1 5 3 17 2 6 4 20 2 7 5 6 1 8 5 9 1 9 5 25 1 10 5 26 1 11 6 10 1 12 6 27 1 13 6 28 1 14 7 8 1 15 7 11 1 16 7 29 1 17 7 30 1 18 8 12 1 19 8 31 1 20 8 32 1 21 9 13 1 22 9 33 1 23 9 34 1 24 10 14 1 25 10 35 1 26 10 36 1 27 11 15 1 28 11 37 1 29 12 17 1 30 12 38 1 31 12 39 1 32 13 40 1 33 13 41 1 34 13 42 1 35 14 16 2 36 14 43 1 37 15 19 2 38 15 44 1 39 16 18 1 40 16 45 1 41 18 20 1 42 18 47 1 43 18 48 1 44 19 21 1 45 19 49 1 46 20 22 1 47 21 23 2 48 21 50 1 49 22 24 2 50 22 51 1 51 23 24 1 52 23 52 1 53 24 54 1