@MOLECULE (5z,8z,10e,12s,14z)-12-hydroperoxy-5,8,10,14-icosatetraenoic acid 56 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3349 1.3918 -0.2673 O.3 1 UNL1111111111 -0.1433 2 O -2.7253 2.6496 -0.0484 O.3 1 UNL1111111111 -0.3137 3 O -1.5108 0.0418 2.5054 O.3 1 UNL1111111111 -0.5640 4 O -1.1556 2.2036 2.1031 O.2 1 UNL1111111111 -0.5380 5 C -0.2630 -2.7383 0.4462 C.3 1 UNL1111111111 -0.2655 6 C 1.1441 -2.8725 -0.1483 C.3 1 UNL1111111111 -0.2754 7 C -1.3284 -2.9136 -0.6472 C.3 1 UNL1111111111 -0.2822 8 C 2.2078 -2.8223 0.9557 C.3 1 UNL1111111111 -0.2486 9 C -2.6916 -2.7022 -0.0744 C.2 1 UNL1111111111 -0.1486 10 C -3.2092 -0.6342 -1.3945 C.3 1 UNL1111111111 -0.2933 11 C -3.5208 -1.7069 -0.4037 C.2 1 UNL1111111111 -0.1784 12 C -2.3495 0.4664 -0.7369 C.3 1 UNL1111111111 0.0122 13 C 3.6149 -2.8135 0.3593 C.3 1 UNL1111111111 -0.4464 14 C 1.5441 1.4535 1.4087 C.3 1 UNL1111111111 -0.2505 15 C 2.9889 0.9409 1.3586 C.3 1 UNL1111111111 -0.2774 16 C -1.4083 1.0880 -1.7159 C.2 1 UNL1111111111 -0.1570 17 C 0.7367 0.7288 2.4927 C.3 1 UNL1111111111 -0.3482 18 C 3.7632 1.7168 0.3411 C.2 1 UNL1111111111 -0.1719 19 C 2.8824 0.4953 -1.6803 C.3 1 UNL1111111111 -0.2905 20 C -0.1672 0.6179 -1.8964 C.2 1 UNL1111111111 -0.1865 21 C 3.7187 1.5207 -0.9799 C.2 1 UNL1111111111 -0.1454 22 C 2.0955 1.1551 -2.7684 C.2 1 UNL1111111111 -0.1336 23 C 0.7595 1.2111 -2.8484 C.2 1 UNL1111111111 -0.1669 24 C -0.6973 1.1140 2.3446 C.2 1 UNL1111111111 0.6650 25 H -0.4137 -3.4883 1.2443 H 1 UNL1111111111 0.1395 26 H -0.3846 -1.7529 0.9357 H 1 UNL1111111111 0.1442 27 H 1.3239 -2.0718 -0.8897 H 1 UNL1111111111 0.1345 28 H 1.2328 -3.8213 -0.7103 H 1 UNL1111111111 0.1398 29 H -1.1212 -2.2214 -1.4878 H 1 UNL1111111111 0.1486 30 H -1.2598 -3.9315 -1.0844 H 1 UNL1111111111 0.1447 31 H 2.0898 -3.6909 1.6315 H 1 UNL1111111111 0.1357 32 H 2.0582 -1.9283 1.5902 H 1 UNL1111111111 0.1287 33 H -2.9815 -3.4454 0.6697 H 1 UNL1111111111 0.1411 34 H -4.1404 -0.1799 -1.7975 H 1 UNL1111111111 0.1655 35 H -2.6860 -1.0435 -2.2826 H 1 UNL1111111111 0.1619 36 H -4.5019 -1.6196 0.0633 H 1 UNL1111111111 0.1460 37 H -1.8053 0.0727 0.1522 H 1 UNL1111111111 0.1334 38 H 3.7705 -1.9516 -0.3001 H 1 UNL1111111111 0.1432 39 H 4.3801 -2.7695 1.1418 H 1 UNL1111111111 0.1408 40 H 3.8035 -3.7163 -0.2327 H 1 UNL1111111111 0.1458 41 H 1.0667 1.3258 0.4131 H 1 UNL1111111111 0.1609 42 H 1.5307 2.5478 1.5902 H 1 UNL1111111111 0.1638 43 H 3.4613 1.0302 2.3568 H 1 UNL1111111111 0.1411 44 H 3.0082 -0.1436 1.1218 H 1 UNL1111111111 0.1507 45 H -1.8033 1.9549 -2.2470 H 1 UNL1111111111 0.1759 46 H 0.8650 -0.3735 2.4206 H 1 UNL1111111111 0.1806 47 H 1.0995 1.0060 3.5061 H 1 UNL1111111111 0.1835 48 H 4.3946 2.5007 0.7607 H 1 UNL1111111111 0.1432 49 H 2.2267 -0.0508 -0.9704 H 1 UNL1111111111 0.1583 50 H 3.5445 -0.2867 -2.1189 H 1 UNL1111111111 0.1539 51 H 0.2007 -0.2429 -1.3344 H 1 UNL1111111111 0.1486 52 H 4.3179 2.1385 -1.6512 H 1 UNL1111111111 0.1430 53 H 2.7130 1.6315 -3.5322 H 1 UNL1111111111 0.1414 54 H 0.2877 1.7447 -3.6799 H 1 UNL1111111111 0.1535 55 H -2.3116 2.5306 0.8404 H 1 UNL1111111111 0.2916 56 H -2.4685 0.2304 2.3233 H 1 UNL1111111111 0.3648 @BOND 1 1 2 1 2 1 12 1 3 2 55 1 4 3 24 1 5 3 56 1 6 4 24 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 13 1 18 8 31 1 19 8 32 1 20 9 11 2 21 9 33 1 22 10 11 1 23 10 12 1 24 10 34 1 25 10 35 1 26 11 36 1 27 12 16 1 28 12 37 1 29 13 38 1 30 13 39 1 31 13 40 1 32 14 15 1 33 14 17 1 34 14 41 1 35 14 42 1 36 15 18 1 37 15 43 1 38 15 44 1 39 16 20 2 40 16 45 1 41 17 24 1 42 17 46 1 43 17 47 1 44 18 21 2 45 18 48 1 46 19 21 1 47 19 22 1 48 19 49 1 49 19 50 1 50 20 23 1 51 20 51 1 52 21 52 1 53 22 23 2 54 22 53 1 55 23 54 1