@MOLECULE (9z,11e)-8,13-dihydroxy-9,11-octadecadienoic acid 54 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6077 -4.9353 1.3660 O.3 1 UNL1111111111 -0.5606 2 O 5.0820 1.4431 -2.4747 O.3 1 UNL1111111111 -0.5643 3 O -6.7138 1.7248 -1.5501 O.3 1 UNL1111111111 -0.5738 4 O -6.5224 1.0310 0.5570 O.2 1 UNL1111111111 -0.5055 5 C -2.1710 -1.8995 0.4634 C.3 1 UNL1111111111 -0.2678 6 C -0.8306 -2.4360 -0.0536 C.3 1 UNL1111111111 -0.2723 7 C -2.7685 -0.9000 -0.5352 C.3 1 UNL1111111111 -0.2699 8 C -0.2156 -3.4117 0.9515 C.3 1 UNL1111111111 -0.3296 9 C -4.1137 -0.3704 -0.0285 C.3 1 UNL1111111111 -0.2589 10 C 1.1492 -3.9351 0.4643 C.3 1 UNL1111111111 0.1426 11 C 3.1507 2.3257 0.5653 C.3 1 UNL1111111111 -0.2752 12 C 3.6889 2.3978 -0.8651 C.3 1 UNL1111111111 -0.2979 13 C 2.2370 3.5216 0.8597 C.3 1 UNL1111111111 -0.2688 14 C 4.4886 1.1314 -1.2198 C.3 1 UNL1111111111 0.1488 15 C -4.7294 0.5954 -1.0438 C.3 1 UNL1111111111 -0.3480 16 C 1.6523 3.4191 2.2749 C.3 1 UNL1111111111 -0.2503 17 C 2.1941 -2.8629 0.5360 C.2 1 UNL1111111111 -0.1438 18 C 3.5791 -0.0519 -1.3622 C.2 1 UNL1111111111 -0.2158 19 C 2.4554 -2.0434 -0.4902 C.2 1 UNL1111111111 -0.1860 20 C 0.7211 4.5956 2.5665 C.3 1 UNL1111111111 -0.4418 21 C 3.4094 -0.9494 -0.3834 C.2 1 UNL1111111111 -0.1472 22 C -6.0416 1.1027 -0.5425 C.2 1 UNL1111111111 0.6466 23 H -2.0305 -1.4140 1.4481 H 1 UNL1111111111 0.1425 24 H -2.8753 -2.7345 0.6355 H 1 UNL1111111111 0.1377 25 H -0.9717 -2.9312 -1.0324 H 1 UNL1111111111 0.1351 26 H -0.1353 -1.5915 -0.2356 H 1 UNL1111111111 0.1490 27 H -2.8959 -1.3843 -1.5217 H 1 UNL1111111111 0.1365 28 H -2.0642 -0.0615 -0.6961 H 1 UNL1111111111 0.1413 29 H -0.8985 -4.2636 1.1266 H 1 UNL1111111111 0.1427 30 H -0.0908 -2.9244 1.9387 H 1 UNL1111111111 0.1593 31 H -4.8087 -1.2110 0.1684 H 1 UNL1111111111 0.1505 32 H -3.9864 0.1354 0.9504 H 1 UNL1111111111 0.1573 33 H 1.0746 -4.3966 -0.5460 H 1 UNL1111111111 0.1227 34 H 2.5898 1.3814 0.7137 H 1 UNL1111111111 0.1443 35 H 3.9870 2.3011 1.2886 H 1 UNL1111111111 0.1367 36 H 4.3419 3.2834 -0.9972 H 1 UNL1111111111 0.1588 37 H 2.8654 2.5323 -1.5917 H 1 UNL1111111111 0.1530 38 H 1.4188 3.5671 0.1169 H 1 UNL1111111111 0.1371 39 H 2.7991 4.4673 0.7487 H 1 UNL1111111111 0.1380 40 H 5.3178 0.9580 -0.4968 H 1 UNL1111111111 0.1222 41 H -4.0491 1.4545 -1.2369 H 1 UNL1111111111 0.1816 42 H -4.8600 0.1039 -2.0332 H 1 UNL1111111111 0.1817 43 H 2.4689 3.3898 3.0207 H 1 UNL1111111111 0.1333 44 H 1.1026 2.4655 2.3894 H 1 UNL1111111111 0.1343 45 H 2.7114 -2.8054 1.4949 H 1 UNL1111111111 0.1695 46 H 3.0452 -0.1001 -2.3093 H 1 UNL1111111111 0.1602 47 H 1.9462 -2.1471 -1.4494 H 1 UNL1111111111 0.1504 48 H -0.1217 4.6227 1.8669 H 1 UNL1111111111 0.1425 49 H 1.2473 5.5533 2.4859 H 1 UNL1111111111 0.1431 50 H 0.3061 4.5325 3.5783 H 1 UNL1111111111 0.1410 51 H 3.9675 -0.8863 0.5536 H 1 UNL1111111111 0.1522 52 H 0.9787 -5.6787 1.4092 H 1 UNL1111111111 0.3141 53 H 5.5190 0.6578 -2.8534 H 1 UNL1111111111 0.3151 54 H -7.5901 2.0901 -1.2787 H 1 UNL1111111111 0.3562 @BOND 1 1 10 1 2 1 52 1 3 2 14 1 4 2 53 1 5 3 22 1 6 3 54 1 7 4 22 2 8 5 6 1 9 5 7 1 10 5 23 1 11 5 24 1 12 6 8 1 13 6 25 1 14 6 26 1 15 7 9 1 16 7 27 1 17 7 28 1 18 8 10 1 19 8 29 1 20 8 30 1 21 9 15 1 22 9 31 1 23 9 32 1 24 10 17 1 25 10 33 1 26 11 12 1 27 11 13 1 28 11 34 1 29 11 35 1 30 12 14 1 31 12 36 1 32 12 37 1 33 13 16 1 34 13 38 1 35 13 39 1 36 14 18 1 37 14 40 1 38 15 22 1 39 15 41 1 40 15 42 1 41 16 20 1 42 16 43 1 43 16 44 1 44 17 19 2 45 17 45 1 46 18 21 2 47 18 46 1 48 19 21 1 49 19 47 1 50 20 48 1 51 20 49 1 52 20 50 1 53 21 51 1