@MOLECULE eicosa-8,11,14-trienoic acid 56 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6531 -3.3100 0.4329 O.3 1 UNL1111111111 -0.5742 2 O -2.8773 -1.6223 -0.7904 O.2 1 UNL1111111111 -0.5160 3 C 2.3324 -2.0561 -0.2819 C.3 1 UNL1111111111 -0.2699 4 C 1.1589 -2.7733 0.3964 C.3 1 UNL1111111111 -0.2704 5 C 3.6631 -2.6969 0.1328 C.3 1 UNL1111111111 -0.2641 6 C -0.1786 -2.2163 -0.1022 C.3 1 UNL1111111111 -0.2542 7 C 4.8592 -1.9379 -0.4648 C.3 1 UNL1111111111 -0.2803 8 C -1.3437 -2.9502 0.5688 C.3 1 UNL1111111111 -0.3464 9 C -3.0763 2.1443 -0.2534 C.3 1 UNL1111111111 -0.2585 10 C -4.2819 1.2319 0.0011 C.3 1 UNL1111111111 -0.2789 11 C -1.7659 1.3734 -0.0272 C.3 1 UNL1111111111 -0.2876 12 C -5.5980 1.9814 -0.2387 C.3 1 UNL1111111111 -0.2501 13 C 4.9651 -0.5717 0.1312 C.2 1 UNL1111111111 -0.1597 14 C 4.9462 0.5451 -0.6005 C.2 1 UNL1111111111 -0.1585 15 C -0.5984 2.2693 -0.2767 C.2 1 UNL1111111111 -0.1503 16 C -2.6438 -2.5177 -0.0227 C.2 1 UNL1111111111 0.6516 17 C -6.7968 1.0581 -0.0166 C.3 1 UNL1111111111 -0.4388 18 C 5.0159 1.9104 0.0114 C.3 1 UNL1111111111 -0.2863 19 C 0.3388 2.5210 0.6408 C.2 1 UNL1111111111 -0.1706 20 C 1.4783 3.4597 0.3889 C.3 1 UNL1111111111 -0.2840 21 C 3.7250 2.6194 -0.2637 C.2 1 UNL1111111111 -0.1607 22 C 2.7783 2.7733 0.6659 C.2 1 UNL1111111111 -0.1496 23 H 2.3307 -0.9803 -0.0150 H 1 UNL1111111111 0.1520 24 H 2.2225 -2.0882 -1.3815 H 1 UNL1111111111 0.1393 25 H 1.2348 -2.6601 1.4942 H 1 UNL1111111111 0.1366 26 H 1.2169 -3.8598 0.1963 H 1 UNL1111111111 0.1338 27 H 3.6926 -3.7525 -0.1955 H 1 UNL1111111111 0.1320 28 H 3.7459 -2.7192 1.2357 H 1 UNL1111111111 0.1360 29 H -0.2479 -2.3109 -1.2043 H 1 UNL1111111111 0.1530 30 H -0.2417 -1.1272 0.0997 H 1 UNL1111111111 0.1575 31 H 4.7635 -1.8966 -1.5680 H 1 UNL1111111111 0.1445 32 H 5.7954 -2.5021 -0.2716 H 1 UNL1111111111 0.1435 33 H -1.2288 -4.0523 0.4670 H 1 UNL1111111111 0.1800 34 H -1.3494 -2.7636 1.6650 H 1 UNL1111111111 0.1808 35 H -3.1105 2.5375 -1.2863 H 1 UNL1111111111 0.1358 36 H -3.1149 3.0255 0.4127 H 1 UNL1111111111 0.1345 37 H -4.2519 0.8391 1.0331 H 1 UNL1111111111 0.1319 38 H -4.2246 0.3438 -0.6608 H 1 UNL1111111111 0.1556 39 H -1.7496 0.9491 0.9946 H 1 UNL1111111111 0.1385 40 H -1.7273 0.4964 -0.7127 H 1 UNL1111111111 0.1672 41 H -5.6640 2.8565 0.4345 H 1 UNL1111111111 0.1312 42 H -5.6197 2.3869 -1.2678 H 1 UNL1111111111 0.1335 43 H 5.0468 -0.5526 1.2162 H 1 UNL1111111111 0.1430 44 H -0.5715 2.7163 -1.2692 H 1 UNL1111111111 0.1429 45 H 4.8556 0.5326 -1.6844 H 1 UNL1111111111 0.1455 46 H -6.8132 0.6635 1.0050 H 1 UNL1111111111 0.1396 47 H -7.7412 1.5875 -0.1820 H 1 UNL1111111111 0.1382 48 H -6.7730 0.2034 -0.7016 H 1 UNL1111111111 0.1413 49 H 5.8695 2.4787 -0.4184 H 1 UNL1111111111 0.1520 50 H 5.2255 1.8590 1.0997 H 1 UNL1111111111 0.1479 51 H 0.3246 2.0684 1.6289 H 1 UNL1111111111 0.1435 52 H 1.3763 4.3516 1.0487 H 1 UNL1111111111 0.1536 53 H 1.4467 3.8647 -0.6441 H 1 UNL1111111111 0.1481 54 H 3.6063 2.9778 -1.2832 H 1 UNL1111111111 0.1449 55 H 2.8939 2.3980 1.6806 H 1 UNL1111111111 0.1437 56 H -4.5416 -3.0672 0.0771 H 1 UNL1111111111 0.3558 @BOND 1 1 16 1 2 1 56 1 3 2 16 2 4 3 4 1 5 3 5 1 6 3 23 1 7 3 24 1 8 4 6 1 9 4 25 1 10 4 26 1 11 5 7 1 12 5 27 1 13 5 28 1 14 6 8 1 15 6 29 1 16 6 30 1 17 7 13 1 18 7 31 1 19 7 32 1 20 8 16 1 21 8 33 1 22 8 34 1 23 9 10 1 24 9 11 1 25 9 35 1 26 9 36 1 27 10 12 1 28 10 37 1 29 10 38 1 30 11 15 1 31 11 39 1 32 11 40 1 33 12 17 1 34 12 41 1 35 12 42 1 36 13 14 2 37 13 43 1 38 14 18 1 39 14 45 1 40 15 19 2 41 15 44 1 42 17 46 1 43 17 47 1 44 17 48 1 45 18 21 1 46 18 49 1 47 18 50 1 48 19 20 1 49 19 51 1 50 20 22 1 51 20 52 1 52 20 53 1 53 21 22 2 54 21 54 1 55 22 55 1