@MOLECULE (5z,8z,11z,13e,15s)-15-hydroperoxy-5,8,11,13-icosatetraenoic acid 56 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1806 -2.9188 1.6949 O.3 1 UNL1111111111 -0.1197 2 O -0.4267 -3.7462 0.8198 O.3 1 UNL1111111111 -0.3153 3 O 0.2184 4.7850 0.9742 O.3 1 UNL1111111111 -0.5781 4 O -0.0877 2.7607 1.8468 O.2 1 UNL1111111111 -0.5028 5 C -3.3815 -1.0224 1.0455 C.3 1 UNL1111111111 -0.2711 6 C -2.1241 -0.7971 1.8916 C.3 1 UNL1111111111 -0.2947 7 C -3.4118 -0.0981 -0.1768 C.3 1 UNL1111111111 -0.2724 8 C -0.9163 -1.5612 1.3284 C.3 1 UNL1111111111 0.0149 9 C -4.6027 -0.4227 -1.0871 C.3 1 UNL1111111111 -0.2514 10 C -4.5933 0.4719 -2.3272 C.3 1 UNL1111111111 -0.4418 11 C 0.3535 -1.1167 1.9903 C.2 1 UNL1111111111 -0.2039 12 C 1.4552 -0.8168 1.2913 C.2 1 UNL1111111111 -0.1516 13 C -0.0899 1.5380 -0.7095 C.3 1 UNL1111111111 -0.2635 14 C -0.0972 1.1032 -2.1805 C.3 1 UNL1111111111 -0.2715 15 C -0.0779 3.0610 -0.5789 C.3 1 UNL1111111111 -0.3432 16 C 2.6746 -0.3400 1.9265 C.2 1 UNL1111111111 -0.1663 17 C -0.1368 -0.3897 -2.2561 C.2 1 UNL1111111111 -0.1874 18 C 2.3134 -0.7352 -2.7239 C.3 1 UNL1111111111 -0.2859 19 C 0.9091 -1.1903 -2.4794 C.2 1 UNL1111111111 -0.1368 20 C 3.8428 0.2130 -0.2308 C.3 1 UNL1111111111 -0.2911 21 C 3.7445 0.1180 1.2608 C.2 1 UNL1111111111 -0.1384 22 C 3.2656 -1.5658 -1.9210 C.2 1 UNL1111111111 -0.1745 23 C 3.9302 -1.1525 -0.8381 C.2 1 UNL1111111111 -0.1411 24 C 0.0071 3.4437 0.8628 C.2 1 UNL1111111111 0.6478 25 H -4.2837 -0.8538 1.6631 H 1 UNL1111111111 0.1356 26 H -3.4329 -2.0830 0.7268 H 1 UNL1111111111 0.1535 27 H -2.3100 -1.1188 2.9357 H 1 UNL1111111111 0.1503 28 H -1.8787 0.2824 1.9551 H 1 UNL1111111111 0.1634 29 H -2.4703 -0.1991 -0.7507 H 1 UNL1111111111 0.1385 30 H -3.4617 0.9580 0.1479 H 1 UNL1111111111 0.1354 31 H -0.8635 -1.4885 0.2182 H 1 UNL1111111111 0.1514 32 H -4.5704 -1.4871 -1.3890 H 1 UNL1111111111 0.1369 33 H -5.5510 -0.2943 -0.5331 H 1 UNL1111111111 0.1327 34 H -4.6520 1.5316 -2.0568 H 1 UNL1111111111 0.1401 35 H -5.4436 0.2524 -2.9818 H 1 UNL1111111111 0.1388 36 H -3.6802 0.3303 -2.9162 H 1 UNL1111111111 0.1414 37 H 0.3112 -1.0487 3.0754 H 1 UNL1111111111 0.1568 38 H 1.4820 -0.9159 0.1999 H 1 UNL1111111111 0.1648 39 H 0.7891 1.1044 -0.1876 H 1 UNL1111111111 0.1623 40 H -0.9688 1.1178 -0.1766 H 1 UNL1111111111 0.1612 41 H 0.7869 1.5165 -2.7056 H 1 UNL1111111111 0.1420 42 H -0.9741 1.5329 -2.7059 H 1 UNL1111111111 0.1450 43 H -0.9895 3.5084 -1.0327 H 1 UNL1111111111 0.1806 44 H 0.7706 3.5045 -1.1435 H 1 UNL1111111111 0.1795 45 H 2.6784 -0.3643 3.0200 H 1 UNL1111111111 0.1525 46 H -1.1310 -0.8165 -2.1017 H 1 UNL1111111111 0.1493 47 H 2.5474 -0.8377 -3.8090 H 1 UNL1111111111 0.1552 48 H 2.4391 0.3464 -2.5122 H 1 UNL1111111111 0.1500 49 H 0.7825 -2.2755 -2.5013 H 1 UNL1111111111 0.1512 50 H 2.9766 0.7863 -0.6288 H 1 UNL1111111111 0.1576 51 H 4.7371 0.8026 -0.5310 H 1 UNL1111111111 0.1522 52 H 4.6296 0.4583 1.7970 H 1 UNL1111111111 0.1427 53 H 3.3831 -2.5869 -2.2882 H 1 UNL1111111111 0.1466 54 H 0.3784 -3.9049 1.3688 H 1 UNL1111111111 0.2682 55 H 4.6061 -1.8279 -0.3092 H 1 UNL1111111111 0.1487 56 H 0.2844 5.1009 1.9069 H 1 UNL1111111111 0.3554 @BOND 1 1 2 1 2 1 8 1 3 2 54 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 11 1 18 8 31 1 19 9 10 1 20 9 32 1 21 9 33 1 22 10 34 1 23 10 35 1 24 10 36 1 25 11 12 2 26 11 37 1 27 12 16 1 28 12 38 1 29 13 14 1 30 13 15 1 31 13 39 1 32 13 40 1 33 14 17 1 34 14 41 1 35 14 42 1 36 15 24 1 37 15 43 1 38 15 44 1 39 16 21 2 40 16 45 1 41 17 19 2 42 17 46 1 43 18 19 1 44 18 22 1 45 18 47 1 46 18 48 1 47 19 49 1 48 20 21 1 49 20 23 1 50 20 50 1 51 20 51 1 52 21 52 1 53 22 23 2 54 22 53 1 55 23 55 1