@MOLECULE (5e,8s,9e,11e,13e,15s)-8,15-dihydroxy-5,9,11,13-icosatetraenoic acid 56 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.5464 2.9913 -0.6369 O.3 1 UNL1111111111 -0.5503 2 O 5.5319 2.6027 0.9920 O.3 1 UNL1111111111 -0.5570 3 O -0.8024 -0.8024 -1.5465 O.3 1 UNL1111111111 -0.5916 4 O -0.8800 -2.5099 -0.1207 O.2 1 UNL1111111111 -0.5259 5 C -4.1262 -0.7631 -0.7380 C.3 1 UNL1111111111 -0.2472 6 C -4.7577 0.6186 -0.9240 C.3 1 UNL1111111111 -0.3313 7 C -3.7424 -1.0890 0.7100 C.3 1 UNL1111111111 -0.2850 8 C -3.9239 1.7624 -0.3173 C.3 1 UNL1111111111 0.1550 9 C -4.9689 -1.1944 1.6227 C.3 1 UNL1111111111 -0.2435 10 C -4.5477 -1.5402 3.0513 C.3 1 UNL1111111111 -0.4394 11 C -2.5089 1.7538 -0.8163 C.2 1 UNL1111111111 -0.2306 12 C 3.4424 -2.9321 -0.5636 C.3 1 UNL1111111111 -0.2841 13 C 1.9172 -2.9947 -0.3998 C.3 1 UNL1111111111 -0.2442 14 C 5.3428 0.2269 0.6368 C.3 1 UNL1111111111 -0.3374 15 C 4.8023 1.6246 0.2632 C.3 1 UNL1111111111 0.1539 16 C -1.4607 1.7330 0.0184 C.2 1 UNL1111111111 -0.1273 17 C 4.0249 -1.8438 0.2786 C.2 1 UNL1111111111 -0.1421 18 C 1.2595 -1.7653 -1.0288 C.3 1 UNL1111111111 -0.3521 19 C 4.7412 -0.8335 -0.2228 C.2 1 UNL1111111111 -0.1775 20 C 3.3870 1.7903 0.7289 C.2 1 UNL1111111111 -0.1472 21 C -0.0857 1.6766 -0.4553 C.2 1 UNL1111111111 -0.1443 22 C 2.3377 1.6244 -0.0863 C.2 1 UNL1111111111 -0.1821 23 C 0.9649 1.7258 0.3830 C.2 1 UNL1111111111 -0.1510 24 C -0.2174 -1.7849 -0.8163 C.2 1 UNL1111111111 0.6586 25 H -4.8253 -1.5374 -1.1152 H 1 UNL1111111111 0.1438 26 H -3.2256 -0.8515 -1.3884 H 1 UNL1111111111 0.1109 27 H -4.9257 0.8107 -2.0004 H 1 UNL1111111111 0.1408 28 H -5.7665 0.6409 -0.4643 H 1 UNL1111111111 0.1585 29 H -3.0387 -0.3334 1.1057 H 1 UNL1111111111 0.1393 30 H -3.1754 -2.0449 0.7323 H 1 UNL1111111111 0.1602 31 H -3.9935 1.7635 0.7971 H 1 UNL1111111111 0.1507 32 H -5.5334 -0.2428 1.6163 H 1 UNL1111111111 0.1352 33 H -5.6639 -1.9629 1.2358 H 1 UNL1111111111 0.1326 34 H -5.4166 -1.6318 3.7111 H 1 UNL1111111111 0.1381 35 H -3.8908 -0.7711 3.4728 H 1 UNL1111111111 0.1422 36 H -4.0037 -2.4912 3.0877 H 1 UNL1111111111 0.1447 37 H -2.3944 1.7750 -1.8969 H 1 UNL1111111111 0.1512 38 H 3.8890 -3.9058 -0.2672 H 1 UNL1111111111 0.1508 39 H 3.7038 -2.8085 -1.6333 H 1 UNL1111111111 0.1447 40 H 1.5212 -3.9197 -0.8627 H 1 UNL1111111111 0.1479 41 H 1.6445 -3.0671 0.6736 H 1 UNL1111111111 0.1582 42 H 6.4475 0.2154 0.5326 H 1 UNL1111111111 0.1515 43 H 5.1568 0.0434 1.7155 H 1 UNL1111111111 0.1639 44 H -4.4471 3.2103 -1.5825 H 1 UNL1111111111 0.3107 45 H 4.9298 1.8350 -0.8217 H 1 UNL1111111111 0.1213 46 H -1.5975 1.7446 1.1032 H 1 UNL1111111111 0.1527 47 H 3.8203 -1.9347 1.3450 H 1 UNL1111111111 0.1484 48 H 1.4941 -1.6955 -2.1115 H 1 UNL1111111111 0.1776 49 H 1.6799 -0.8304 -0.5825 H 1 UNL1111111111 0.1959 50 H 4.9387 -0.7327 -1.2876 H 1 UNL1111111111 0.1436 51 H 3.2891 2.0562 1.7820 H 1 UNL1111111111 0.1683 52 H 0.0504 1.5704 -1.5343 H 1 UNL1111111111 0.1595 53 H 2.4717 1.3985 -1.1461 H 1 UNL1111111111 0.1499 54 H 0.8296 1.8418 1.4599 H 1 UNL1111111111 0.1542 55 H 6.4725 2.5973 0.7348 H 1 UNL1111111111 0.3129 56 H -1.7870 -0.6879 -1.3658 H 1 UNL1111111111 0.3636 @BOND 1 1 8 1 2 1 44 1 3 2 15 1 4 2 55 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 7 30 1 18 8 11 1 19 8 31 1 20 9 10 1 21 9 32 1 22 9 33 1 23 10 34 1 24 10 35 1 25 10 36 1 26 11 16 2 27 11 37 1 28 12 13 1 29 12 17 1 30 12 38 1 31 12 39 1 32 13 18 1 33 13 40 1 34 13 41 1 35 14 15 1 36 14 19 1 37 14 42 1 38 14 43 1 39 15 20 1 40 15 45 1 41 16 21 1 42 16 46 1 43 17 19 2 44 17 47 1 45 18 24 1 46 18 48 1 47 18 49 1 48 19 50 1 49 20 22 2 50 20 51 1 51 21 23 2 52 21 52 1 53 22 23 1 54 22 53 1 55 23 54 1