@MOLECULE (6e,8z,11z,13e,15s)-15-hydroxy-5-oxo-6,8,11,13-icosatetraenoic acid 54 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6443 -4.5765 0.0210 O.3 1 UNL1111111111 -0.5618 2 O 0.9112 3.6854 -1.1729 O.2 1 UNL1111111111 -0.4305 3 O -3.7472 0.8269 1.9259 O.3 1 UNL1111111111 -0.5816 4 O -2.8102 2.7939 2.3802 O.2 1 UNL1111111111 -0.4983 5 C -2.1850 -1.7038 -1.2413 C.3 1 UNL1111111111 -0.2729 6 C -1.8126 -2.5541 -0.0240 C.3 1 UNL1111111111 -0.3034 7 C -3.5795 -1.0891 -1.0666 C.3 1 UNL1111111111 -0.2799 8 C -0.4215 -3.1861 -0.1896 C.3 1 UNL1111111111 0.1493 9 C -3.8869 -0.1057 -2.2029 C.3 1 UNL1111111111 -0.2488 10 C -5.2351 0.5785 -1.9767 C.3 1 UNL1111111111 -0.4400 11 C 0.5613 -2.6848 0.8323 C.2 1 UNL1111111111 -0.2223 12 C 1.7313 -2.1433 0.4726 C.2 1 UNL1111111111 -0.1461 13 C -0.7435 2.1527 0.4343 C.3 1 UNL1111111111 -0.2310 14 C 0.3716 1.5040 -0.3879 C.3 1 UNL1111111111 -0.3797 15 C -1.5458 1.0842 1.1781 C.3 1 UNL1111111111 -0.3579 16 C 2.7028 -1.6464 1.4330 C.2 1 UNL1111111111 -0.2068 17 C 1.2920 2.5641 -0.9451 C.2 1 UNL1111111111 0.4719 18 C 3.9221 -1.1850 1.1164 C.2 1 UNL1111111111 -0.1058 19 C 4.4870 -1.1319 -0.2665 C.3 1 UNL1111111111 -0.2971 20 C -2.7061 1.7060 1.8821 C.2 1 UNL1111111111 0.6466 21 C 2.6900 2.1594 -1.2164 C.2 1 UNL1111111111 -0.3065 22 C 5.3528 0.0742 -0.4642 C.2 1 UNL1111111111 -0.1292 23 C 3.4816 1.6669 -0.2607 C.2 1 UNL1111111111 -0.0773 24 C 4.8846 1.3265 -0.4830 C.2 1 UNL1111111111 -0.1889 25 H -1.4321 -0.9095 -1.3999 H 1 UNL1111111111 0.1303 26 H -2.1664 -2.3254 -2.1576 H 1 UNL1111111111 0.1409 27 H -1.8748 -1.9608 0.9057 H 1 UNL1111111111 0.1474 28 H -2.5554 -3.3731 0.1089 H 1 UNL1111111111 0.1741 29 H -4.3442 -1.8877 -1.0376 H 1 UNL1111111111 0.1403 30 H -3.6612 -0.5736 -0.0883 H 1 UNL1111111111 0.1527 31 H -0.0381 -3.0723 -1.2296 H 1 UNL1111111111 0.1204 32 H -3.0878 0.6561 -2.2762 H 1 UNL1111111111 0.1327 33 H -3.8893 -0.6374 -3.1728 H 1 UNL1111111111 0.1314 34 H -6.0485 -0.1522 -1.8988 H 1 UNL1111111111 0.1422 35 H -5.4812 1.2559 -2.8020 H 1 UNL1111111111 0.1411 36 H -5.2326 1.1696 -1.0541 H 1 UNL1111111111 0.1457 37 H 0.2517 -2.8099 1.8667 H 1 UNL1111111111 0.1618 38 H 0.1987 -5.0531 0.1515 H 1 UNL1111111111 0.3140 39 H 2.0069 -2.0564 -0.5810 H 1 UNL1111111111 0.1463 40 H -1.4016 2.7550 -0.2273 H 1 UNL1111111111 0.1648 41 H -0.3229 2.8885 1.1520 H 1 UNL1111111111 0.1650 42 H 0.9355 0.7705 0.2210 H 1 UNL1111111111 0.1653 43 H -0.0530 0.9205 -1.2319 H 1 UNL1111111111 0.1703 44 H -0.9088 0.5553 1.9205 H 1 UNL1111111111 0.1791 45 H -1.8934 0.2935 0.4729 H 1 UNL1111111111 0.1932 46 H 2.3863 -1.6728 2.4795 H 1 UNL1111111111 0.1559 47 H 4.5995 -0.8224 1.8921 H 1 UNL1111111111 0.1496 48 H 5.0645 -2.0667 -0.4518 H 1 UNL1111111111 0.1603 49 H 3.6850 -1.1381 -1.0398 H 1 UNL1111111111 0.1643 50 H 3.0308 2.3452 -2.2340 H 1 UNL1111111111 0.1791 51 H 6.4108 -0.1356 -0.6142 H 1 UNL1111111111 0.1475 52 H 3.1280 1.4961 0.7626 H 1 UNL1111111111 0.1602 53 H 5.5421 2.1822 -0.6567 H 1 UNL1111111111 0.1659 54 H -4.5474 1.1771 2.3848 H 1 UNL1111111111 0.3562 @BOND 1 1 8 1 2 1 38 1 3 2 17 2 4 3 20 1 5 3 54 1 6 4 20 2 7 5 6 1 8 5 7 1 9 5 25 1 10 5 26 1 11 6 8 1 12 6 27 1 13 6 28 1 14 7 9 1 15 7 29 1 16 7 30 1 17 8 11 1 18 8 31 1 19 9 10 1 20 9 32 1 21 9 33 1 22 10 34 1 23 10 35 1 24 10 36 1 25 11 12 2 26 11 37 1 27 12 16 1 28 12 39 1 29 13 14 1 30 13 15 1 31 13 40 1 32 13 41 1 33 14 17 1 34 14 42 1 35 14 43 1 36 15 20 1 37 15 44 1 38 15 45 1 39 16 18 2 40 16 46 1 41 17 21 1 42 18 19 1 43 18 47 1 44 19 22 1 45 19 48 1 46 19 49 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 53 1