@MOLECULE (5e,8z,10z,12s,14z)-12-hydroxy-5,8,10,14-icosatetraenoic acid 55 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.7104 1.0759 0.0580 O.3 1 UNL1111111111 -0.5451 2 O 6.9728 -0.7578 -1.3827 O.3 1 UNL1111111111 -0.5761 3 O 5.8123 -1.0631 0.4978 O.2 1 UNL1111111111 -0.5048 4 C -1.8876 -2.6996 0.5613 C.3 1 UNL1111111111 -0.2632 5 C -0.3822 -2.4185 0.5422 C.3 1 UNL1111111111 -0.2714 6 C -2.4915 -2.4201 -0.8231 C.3 1 UNL1111111111 -0.2823 7 C 0.2353 -2.6966 1.9183 C.3 1 UNL1111111111 -0.2485 8 C -3.9710 -2.6143 -0.7796 C.2 1 UNL1111111111 -0.1642 9 C -4.5448 -0.2980 -1.5572 C.3 1 UNL1111111111 -0.3335 10 C 1.7341 -2.3982 1.9028 C.3 1 UNL1111111111 -0.4389 11 C -4.8731 -1.6824 -1.1017 C.2 1 UNL1111111111 -0.1579 12 C -4.4236 0.6475 -0.3393 C.3 1 UNL1111111111 0.1674 13 C 3.7658 0.6885 -0.3196 C.3 1 UNL1111111111 -0.2481 14 C 2.7854 1.6781 -0.9606 C.3 1 UNL1111111111 -0.2795 15 C -3.5825 1.8423 -0.6926 C.2 1 UNL1111111111 -0.2357 16 C 4.9740 0.4457 -1.2261 C.3 1 UNL1111111111 -0.3469 17 C 1.6019 1.8505 -0.0632 C.2 1 UNL1111111111 -0.1586 18 C 0.0579 3.2580 1.3255 C.3 1 UNL1111111111 -0.2909 19 C 1.2450 3.0335 0.4422 C.2 1 UNL1111111111 -0.1611 20 C -2.4657 2.2419 -0.0683 C.2 1 UNL1111111111 -0.1207 21 C -0.6965 2.0088 1.6546 C.2 1 UNL1111111111 -0.1124 22 C -1.8247 1.5864 1.0617 C.2 1 UNL1111111111 -0.1876 23 C 5.9041 -0.5236 -0.5726 C.2 1 UNL1111111111 0.6472 24 H -2.0809 -3.7466 0.8578 H 1 UNL1111111111 0.1358 25 H -2.3879 -2.0739 1.3248 H 1 UNL1111111111 0.1399 26 H -0.1954 -1.3700 0.2476 H 1 UNL1111111111 0.1359 27 H 0.1117 -3.0391 -0.2281 H 1 UNL1111111111 0.1355 28 H -2.2151 -1.3958 -1.1450 H 1 UNL1111111111 0.1466 29 H -2.0456 -3.0993 -1.5792 H 1 UNL1111111111 0.1448 30 H 0.0609 -3.7483 2.2062 H 1 UNL1111111111 0.1311 31 H -0.2656 -2.0843 2.6907 H 1 UNL1111111111 0.1337 32 H -4.2832 -3.6045 -0.4438 H 1 UNL1111111111 0.1431 33 H -5.3268 0.0817 -2.2451 H 1 UNL1111111111 0.1478 34 H -3.6031 -0.2822 -2.1400 H 1 UNL1111111111 0.1561 35 H 1.9340 -1.3485 1.6512 H 1 UNL1111111111 0.1414 36 H 2.1914 -2.5979 2.8775 H 1 UNL1111111111 0.1430 37 H 2.2602 -3.0176 1.1661 H 1 UNL1111111111 0.1434 38 H -5.9418 -1.8865 -1.0238 H 1 UNL1111111111 0.1477 39 H -4.0733 0.1040 0.5678 H 1 UNL1111111111 0.1555 40 H 3.2555 -0.2705 -0.0989 H 1 UNL1111111111 0.1554 41 H 4.0978 1.0715 0.6680 H 1 UNL1111111111 0.1573 42 H 3.2917 2.6434 -1.1609 H 1 UNL1111111111 0.1422 43 H 2.4508 1.3086 -1.9529 H 1 UNL1111111111 0.1487 44 H -3.9721 2.4110 -1.5401 H 1 UNL1111111111 0.1455 45 H 4.6583 0.0567 -2.2190 H 1 UNL1111111111 0.1815 46 H 5.5120 1.3968 -1.4361 H 1 UNL1111111111 0.1802 47 H 1.0445 0.9368 0.1433 H 1 UNL1111111111 0.1543 48 H -0.6091 4.0151 0.8512 H 1 UNL1111111111 0.1567 49 H 0.3924 3.7389 2.2735 H 1 UNL1111111111 0.1569 50 H 1.8080 3.9369 0.2296 H 1 UNL1111111111 0.1395 51 H -1.9506 3.1387 -0.4364 H 1 UNL1111111111 0.1477 52 H -6.1444 1.5995 -0.6427 H 1 UNL1111111111 0.3075 53 H -0.2510 1.4292 2.4653 H 1 UNL1111111111 0.1462 54 H -2.3172 0.6811 1.4268 H 1 UNL1111111111 0.1549 55 H 7.6321 -1.3924 -1.0107 H 1 UNL1111111111 0.3567 @BOND 1 1 12 1 2 1 52 1 3 2 23 1 4 2 55 1 5 3 23 2 6 4 5 1 7 4 6 1 8 4 24 1 9 4 25 1 10 5 7 1 11 5 26 1 12 5 27 1 13 6 8 1 14 6 28 1 15 6 29 1 16 7 10 1 17 7 30 1 18 7 31 1 19 8 11 2 20 8 32 1 21 9 11 1 22 9 12 1 23 9 33 1 24 9 34 1 25 10 35 1 26 10 36 1 27 10 37 1 28 11 38 1 29 12 15 1 30 12 39 1 31 13 14 1 32 13 16 1 33 13 40 1 34 13 41 1 35 14 17 1 36 14 42 1 37 14 43 1 38 15 20 2 39 15 44 1 40 16 23 1 41 16 45 1 42 16 46 1 43 17 19 2 44 17 47 1 45 18 19 1 46 18 21 1 47 18 48 1 48 18 49 1 49 19 50 1 50 20 22 1 51 20 51 1 52 21 22 2 53 21 53 1 54 22 54 1