@MOLECULE 15-hydroperoxy-5,8,11,14,17-eicosapentaenoic acid 54 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3533 1.1832 1.8946 O.3 1 UNL1111111111 -0.5876 2 O 2.4118 -1.8270 -1.2216 O.2 1 UNL1111111111 -0.0597 3 O -0.4973 3.1549 0.8841 O.2 1 UNL1111111111 -0.5179 4 O 3.1069 -1.0529 -2.1945 O.3 1 UNL1111111111 -0.3046 5 C -1.4099 1.9488 -1.5631 C.3 1 UNL1111111111 -0.2354 6 C -2.7605 2.6594 -1.3768 C.3 1 UNL1111111111 -0.2852 7 C -1.0337 1.1072 -0.3433 C.3 1 UNL1111111111 -0.3631 8 C -3.8529 1.6663 -1.1561 C.2 1 UNL1111111111 -0.1599 9 C -5.6063 0.5581 0.2069 C.3 1 UNL1111111111 -0.2886 10 C -4.5752 1.6202 -0.0329 C.2 1 UNL1111111111 -0.1589 11 C -3.6547 -2.7758 0.5802 C.3 1 UNL1111111111 -0.2854 12 C -4.8995 -0.6312 0.7862 C.2 1 UNL1111111111 -0.1535 13 C 0.2032 -2.6904 0.1489 C.3 1 UNL1111111111 -0.2660 14 C 2.8056 0.2095 0.1114 C.3 1 UNL1111111111 -0.3024 15 C -4.4199 -1.6164 0.0233 C.2 1 UNL1111111111 -0.1575 16 C -0.6238 1.9616 0.8043 C.2 1 UNL1111111111 0.6608 17 C 2.0205 -1.0241 -0.1720 C.2 1 UNL1111111111 0.0901 18 C -2.2779 -2.7901 -0.0104 C.2 1 UNL1111111111 -0.1648 19 C 0.9756 -1.4753 0.5381 C.2 1 UNL1111111111 -0.2594 20 C -1.1754 -2.6588 0.7312 C.2 1 UNL1111111111 -0.1490 21 C 4.2117 -0.1386 0.4861 C.2 1 UNL1111111111 -0.1741 22 C 6.6792 0.1391 0.3395 C.3 1 UNL1111111111 -0.2612 23 C 5.2737 0.4753 -0.0422 C.2 1 UNL1111111111 -0.1589 24 C 7.4394 1.4040 0.7468 C.3 1 UNL1111111111 -0.4300 25 H -0.6218 2.7049 -1.7618 H 1 UNL1111111111 0.1524 26 H -1.4457 1.3000 -2.4600 H 1 UNL1111111111 0.1433 27 H -2.6836 3.3805 -0.5355 H 1 UNL1111111111 0.1595 28 H -2.9855 3.2791 -2.2693 H 1 UNL1111111111 0.1469 29 H -1.8840 0.4474 -0.0409 H 1 UNL1111111111 0.2014 30 H -0.2171 0.3895 -0.5948 H 1 UNL1111111111 0.1947 31 H -4.0044 0.9587 -1.9690 H 1 UNL1111111111 0.1436 32 H -6.1383 0.2959 -0.7309 H 1 UNL1111111111 0.1505 33 H -6.3990 0.9203 0.8935 H 1 UNL1111111111 0.1489 34 H -4.4313 2.3202 0.7855 H 1 UNL1111111111 0.1469 35 H -4.1792 -3.7274 0.3383 H 1 UNL1111111111 0.1540 36 H -3.6190 -2.7423 1.6891 H 1 UNL1111111111 0.1495 37 H -4.7730 -0.6112 1.8658 H 1 UNL1111111111 0.1462 38 H 0.1728 -2.7968 -0.9593 H 1 UNL1111111111 0.1576 39 H 0.7328 -3.6046 0.5061 H 1 UNL1111111111 0.1569 40 H 2.3370 0.7927 0.9399 H 1 UNL1111111111 0.1747 41 H 2.7678 0.8911 -0.7701 H 1 UNL1111111111 0.1738 42 H -4.5417 -1.6239 -1.0578 H 1 UNL1111111111 0.1442 43 H 0.6511 -0.9678 1.4466 H 1 UNL1111111111 0.1831 44 H -2.2440 -2.9105 -1.0908 H 1 UNL1111111111 0.1453 45 H -1.2135 -2.5219 1.8108 H 1 UNL1111111111 0.1482 46 H 4.3034 -0.9237 1.2351 H 1 UNL1111111111 0.1524 47 H 6.7125 -0.5996 1.1657 H 1 UNL1111111111 0.1432 48 H 7.1915 -0.3516 -0.5150 H 1 UNL1111111111 0.1450 49 H 5.1786 1.2691 -0.7821 H 1 UNL1111111111 0.1482 50 H 6.9470 1.9089 1.5866 H 1 UNL1111111111 0.1481 51 H 8.4635 1.1696 1.0570 H 1 UNL1111111111 0.1418 52 H 7.4998 2.1220 -0.0786 H 1 UNL1111111111 0.1442 53 H -0.1051 1.6990 2.6967 H 1 UNL1111111111 0.3527 54 H 4.0423 -1.1703 -1.8887 H 1 UNL1111111111 0.2749 @BOND 1 1 16 1 2 1 53 1 3 2 4 1 4 2 17 1 5 3 16 2 6 4 54 1 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 16 1 15 7 29 1 16 7 30 1 17 8 10 2 18 8 31 1 19 9 10 1 20 9 12 1 21 9 32 1 22 9 33 1 23 10 34 1 24 11 15 1 25 11 18 1 26 11 35 1 27 11 36 1 28 12 15 2 29 12 37 1 30 13 19 1 31 13 20 1 32 13 38 1 33 13 39 1 34 14 17 1 35 14 21 1 36 14 40 1 37 14 41 1 38 15 42 1 39 17 19 2 40 18 20 2 41 18 44 1 42 19 43 1 43 20 45 1 44 21 23 2 45 21 46 1 46 22 23 1 47 22 24 1 48 22 47 1 49 22 48 1 50 23 49 1 51 24 50 1 52 24 51 1 53 24 52 1