@MOLECULE methyl (5e,8z,11z,13z,15s)-15-hydroxy-5,8,11,13-icosatetraenoate 58 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4375 -1.2168 1.9343 O.3 1 UNL1111111111 -0.5640 2 O 0.2039 -1.8614 -1.7968 O.3 1 UNL1111111111 -0.4218 3 O 0.2532 -3.3016 -0.0739 O.2 1 UNL1111111111 -0.5196 4 C -4.3757 0.1042 0.2480 C.3 1 UNL1111111111 -0.2639 5 C -3.2579 0.7908 1.0369 C.3 1 UNL1111111111 -0.2943 6 C -5.5777 1.0431 0.0942 C.3 1 UNL1111111111 -0.2731 7 C -2.0266 -0.1244 1.1256 C.3 1 UNL1111111111 0.1502 8 C -6.7223 0.3462 -0.6505 C.3 1 UNL1111111111 -0.2512 9 C -7.9248 1.2798 -0.7890 C.3 1 UNL1111111111 -0.4416 10 C -0.8978 0.5924 1.8030 C.2 1 UNL1111111111 -0.2088 11 C 2.8462 -2.4836 0.6624 C.3 1 UNL1111111111 -0.2409 12 C 0.0546 1.2942 1.1746 C.2 1 UNL1111111111 -0.1562 13 C 4.2592 -1.9181 0.8460 C.3 1 UNL1111111111 -0.2776 14 C 2.2045 -1.9499 -0.6182 C.3 1 UNL1111111111 -0.3561 15 C 4.2544 -0.4274 0.9467 C.2 1 UNL1111111111 -0.1632 16 C 0.1514 1.4442 -0.2691 C.2 1 UNL1111111111 -0.2023 17 C 5.1005 1.8318 0.3430 C.3 1 UNL1111111111 -0.2871 18 C 5.0178 0.3471 0.1705 C.2 1 UNL1111111111 -0.1564 19 C 2.2528 2.8249 -0.2279 C.3 1 UNL1111111111 -0.2902 20 C 1.1229 2.1160 -0.9027 C.2 1 UNL1111111111 -0.1110 21 C 0.8129 -2.4780 -0.7502 C.2 1 UNL1111111111 0.6122 22 C 4.6582 2.5253 -0.9066 C.2 1 UNL1111111111 -0.1561 23 C 3.4206 2.9635 -1.1516 C.2 1 UNL1111111111 -0.1577 24 C -1.1152 -2.2904 -2.1096 C.3 1 UNL1111111111 -0.1719 25 H -4.6771 -0.8258 0.7733 H 1 UNL1111111111 0.1564 26 H -4.0104 -0.2145 -0.7456 H 1 UNL1111111111 0.1296 27 H -3.6105 1.0284 2.0604 H 1 UNL1111111111 0.1571 28 H -2.9771 1.7531 0.5718 H 1 UNL1111111111 0.1444 29 H -5.9263 1.3747 1.0877 H 1 UNL1111111111 0.1375 30 H -5.2775 1.9598 -0.4449 H 1 UNL1111111111 0.1338 31 H -1.7429 -0.5280 0.1266 H 1 UNL1111111111 0.1202 32 H -6.3802 0.0173 -1.6501 H 1 UNL1111111111 0.1312 33 H -7.0201 -0.5742 -0.1129 H 1 UNL1111111111 0.1360 34 H -8.3007 1.5965 0.1887 H 1 UNL1111111111 0.1433 35 H -8.7533 0.7871 -1.3129 H 1 UNL1111111111 0.1392 36 H -7.6689 2.1826 -1.3535 H 1 UNL1111111111 0.1406 37 H -0.9280 0.5151 2.8904 H 1 UNL1111111111 0.1629 38 H -1.7778 -1.9335 1.9005 H 1 UNL1111111111 0.3210 39 H 2.2122 -2.2347 1.5395 H 1 UNL1111111111 0.1534 40 H 2.8822 -3.5919 0.6291 H 1 UNL1111111111 0.1520 41 H 0.8258 1.8018 1.7603 H 1 UNL1111111111 0.1459 42 H 4.7063 -2.3332 1.7760 H 1 UNL1111111111 0.1511 43 H 4.9159 -2.2675 0.0237 H 1 UNL1111111111 0.1441 44 H 2.1886 -0.8298 -0.6164 H 1 UNL1111111111 0.1944 45 H 2.8050 -2.2210 -1.5107 H 1 UNL1111111111 0.1781 46 H 3.6022 -0.0166 1.7172 H 1 UNL1111111111 0.1462 47 H -0.6370 0.9620 -0.8547 H 1 UNL1111111111 0.1556 48 H 4.5164 2.1743 1.2232 H 1 UNL1111111111 0.1497 49 H 6.1528 2.1076 0.5796 H 1 UNL1111111111 0.1522 50 H 5.6436 -0.0550 -0.6227 H 1 UNL1111111111 0.1451 51 H 2.5419 2.3023 0.7104 H 1 UNL1111111111 0.1591 52 H 1.9121 3.8375 0.0950 H 1 UNL1111111111 0.1628 53 H 1.1264 2.1820 -1.9951 H 1 UNL1111111111 0.1468 54 H 5.4486 2.6515 -1.6471 H 1 UNL1111111111 0.1422 55 H 3.1873 3.4684 -2.0890 H 1 UNL1111111111 0.1434 56 H -1.0633 -3.2586 -2.6199 H 1 UNL1111111111 0.1368 57 H -1.7326 -2.3684 -1.2070 H 1 UNL1111111111 0.1453 58 H -1.4859 -1.5060 -2.7801 H 1 UNL1111111111 0.1450 @BOND 1 1 7 1 2 1 38 1 3 2 21 1 4 2 24 1 5 3 21 2 6 4 5 1 7 4 6 1 8 4 25 1 9 4 26 1 10 5 7 1 11 5 27 1 12 5 28 1 13 6 8 1 14 6 29 1 15 6 30 1 16 7 10 1 17 7 31 1 18 8 9 1 19 8 32 1 20 8 33 1 21 9 34 1 22 9 35 1 23 9 36 1 24 10 12 2 25 10 37 1 26 11 13 1 27 11 14 1 28 11 39 1 29 11 40 1 30 12 16 1 31 12 41 1 32 13 15 1 33 13 42 1 34 13 43 1 35 14 21 1 36 14 44 1 37 14 45 1 38 15 18 2 39 15 46 1 40 16 20 2 41 16 47 1 42 17 18 1 43 17 22 1 44 17 48 1 45 17 49 1 46 18 50 1 47 19 20 1 48 19 23 1 49 19 51 1 50 19 52 1 51 20 53 1 52 22 23 2 53 22 54 1 54 23 55 1 55 24 56 1 56 24 57 1 57 24 58 1