@MOLECULE (5z,8z,11r,12r,14z)-11,12-dihydroxy-5,8,14-icosatrienoic acid 58 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4642 4.4529 0.2942 O.3 1 UNL1111111111 -0.5615 2 O 0.6265 1.4421 -1.6015 O.3 1 UNL1111111111 -0.5722 3 O 1.4025 -2.4518 2.7188 O.3 1 UNL1111111111 -0.5761 4 O -0.0744 -1.0855 1.7781 O.2 1 UNL1111111111 -0.5204 5 C -0.0147 3.2298 -0.2224 C.3 1 UNL1111111111 0.1439 6 C 1.1976 2.5089 -0.8675 C.3 1 UNL1111111111 0.1086 7 C -0.7407 2.4008 0.8392 C.3 1 UNL1111111111 -0.3363 8 C 2.2246 1.9640 0.1393 C.3 1 UNL1111111111 -0.3410 9 C -3.6054 0.1827 0.1714 C.3 1 UNL1111111111 -0.2642 10 C -3.3392 1.5467 -0.4824 C.3 1 UNL1111111111 -0.2814 11 C -3.6689 -0.9109 -0.8999 C.3 1 UNL1111111111 -0.2719 12 C -2.0830 2.9934 1.1302 C.2 1 UNL1111111111 -0.1529 13 C -3.2312 2.6079 0.5643 C.2 1 UNL1111111111 -0.1614 14 C -3.9715 -2.2732 -0.2643 C.3 1 UNL1111111111 -0.2518 15 C 3.4877 1.6118 -0.5752 C.2 1 UNL1111111111 -0.1801 16 C 4.0924 0.4202 -0.5829 C.2 1 UNL1111111111 -0.1467 17 C -4.0451 -3.3665 -1.3290 C.3 1 UNL1111111111 -0.4415 18 C 3.6465 -0.7979 0.1588 C.3 1 UNL1111111111 -0.2898 19 C 1.1051 -1.8147 -1.1928 C.3 1 UNL1111111111 -0.2878 20 C 0.0415 -2.7690 -0.6311 C.3 1 UNL1111111111 -0.2429 21 C 3.5786 -1.9743 -0.7663 C.2 1 UNL1111111111 -0.1632 22 C 2.4551 -2.4432 -1.3196 C.2 1 UNL1111111111 -0.1633 23 C 0.3968 -3.2696 0.7707 C.3 1 UNL1111111111 -0.3422 24 C 0.5001 -2.1419 1.7454 C.2 1 UNL1111111111 0.6606 25 H -0.7232 3.5598 -1.0218 H 1 UNL1111111111 0.1595 26 H 1.6868 3.2004 -1.5950 H 1 UNL1111111111 0.1318 27 H -0.1480 2.3266 1.7712 H 1 UNL1111111111 0.1456 28 H -0.8319 1.3472 0.4831 H 1 UNL1111111111 0.1886 29 H 2.4343 2.7254 0.9188 H 1 UNL1111111111 0.1582 30 H 1.7869 1.0971 0.6769 H 1 UNL1111111111 0.1649 31 H -4.5481 0.2135 0.7479 H 1 UNL1111111111 0.1336 32 H -2.8072 -0.0475 0.9037 H 1 UNL1111111111 0.1515 33 H -2.4112 1.4945 -1.0923 H 1 UNL1111111111 0.1584 34 H -4.1461 1.7886 -1.1984 H 1 UNL1111111111 0.1373 35 H -4.4404 -0.6643 -1.6520 H 1 UNL1111111111 0.1339 36 H -2.7105 -0.9520 -1.4540 H 1 UNL1111111111 0.1386 37 H -2.0643 3.7991 1.8636 H 1 UNL1111111111 0.1397 38 H -4.1774 3.0656 0.8460 H 1 UNL1111111111 0.1380 39 H -3.1967 -2.5198 0.4861 H 1 UNL1111111111 0.1345 40 H -4.9263 -2.2247 0.2931 H 1 UNL1111111111 0.1336 41 H 3.9214 2.4465 -1.1314 H 1 UNL1111111111 0.1475 42 H 0.8748 4.3384 1.1709 H 1 UNL1111111111 0.3121 43 H 1.3311 0.8572 -1.9507 H 1 UNL1111111111 0.3251 44 H 5.0071 0.2688 -1.1604 H 1 UNL1111111111 0.1456 45 H -4.8274 -3.1522 -2.0662 H 1 UNL1111111111 0.1417 46 H -4.2711 -4.3407 -0.8855 H 1 UNL1111111111 0.1365 47 H -3.0996 -3.4604 -1.8759 H 1 UNL1111111111 0.1397 48 H 2.6736 -0.6410 0.6754 H 1 UNL1111111111 0.1571 49 H 4.3680 -1.0054 0.9830 H 1 UNL1111111111 0.1579 50 H 0.7788 -1.4565 -2.1941 H 1 UNL1111111111 0.1525 51 H 1.1312 -0.8945 -0.5671 H 1 UNL1111111111 0.1655 52 H -0.0943 -3.6332 -1.3094 H 1 UNL1111111111 0.1424 53 H -0.9399 -2.2429 -0.6089 H 1 UNL1111111111 0.1623 54 H 4.5395 -2.4504 -0.9567 H 1 UNL1111111111 0.1435 55 H 2.4762 -3.3330 -1.9507 H 1 UNL1111111111 0.1426 56 H 1.3535 -3.8406 0.7423 H 1 UNL1111111111 0.1870 57 H -0.3706 -3.9905 1.1309 H 1 UNL1111111111 0.1755 58 H 1.4981 -1.7582 3.4137 H 1 UNL1111111111 0.3532 @BOND 1 1 5 1 2 1 42 1 3 2 6 1 4 2 43 1 5 3 24 1 6 3 58 1 7 4 24 2 8 5 6 1 9 5 7 1 10 5 25 1 11 6 8 1 12 6 26 1 13 7 12 1 14 7 27 1 15 7 28 1 16 8 15 1 17 8 29 1 18 8 30 1 19 9 10 1 20 9 11 1 21 9 31 1 22 9 32 1 23 10 13 1 24 10 33 1 25 10 34 1 26 11 14 1 27 11 35 1 28 11 36 1 29 12 13 2 30 12 37 1 31 13 38 1 32 14 17 1 33 14 39 1 34 14 40 1 35 15 16 2 36 15 41 1 37 16 18 1 38 16 44 1 39 17 45 1 40 17 46 1 41 17 47 1 42 18 21 1 43 18 48 1 44 18 49 1 45 19 20 1 46 19 22 1 47 19 50 1 48 19 51 1 49 20 23 1 50 20 52 1 51 20 53 1 52 21 22 2 53 21 54 1 54 22 55 1 55 23 24 1 56 23 56 1 57 23 57 1