@MOLECULE (9e,12s)-12-hydroxy-9-octadecenoic acid 55 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8380 1.1957 1.8353 O.3 1 UNL1111111111 -0.5567 2 O 4.4292 -1.1209 1.1863 O.3 1 UNL1111111111 -0.5834 3 O 2.5630 -0.5884 2.2745 O.2 1 UNL1111111111 -0.4980 4 C -1.1575 2.1272 -0.2924 C.3 1 UNL1111111111 -0.3378 5 C 0.3222 2.1343 0.1008 C.3 1 UNL1111111111 -0.2661 6 C -2.0459 2.2723 0.9512 C.3 1 UNL1111111111 0.1756 7 C 1.1988 1.7773 -1.1054 C.3 1 UNL1111111111 -0.2744 8 C -2.1025 -1.8790 -0.8389 C.3 1 UNL1111111111 -0.2696 9 C -1.1458 -3.0468 -0.5724 C.3 1 UNL1111111111 -0.2709 10 C -3.5455 -2.2814 -0.5064 C.3 1 UNL1111111111 -0.2655 11 C -3.5453 2.3569 0.5839 C.3 1 UNL1111111111 -0.3513 12 C 2.6839 1.8415 -0.7308 C.3 1 UNL1111111111 -0.2749 13 C 0.3158 -2.6673 -0.8463 C.3 1 UNL1111111111 -0.2680 14 C -4.5289 -1.1311 -0.7797 C.3 1 UNL1111111111 -0.2846 15 C 0.9370 -1.9131 0.3352 C.3 1 UNL1111111111 -0.2540 16 C 3.5640 1.3758 -1.8981 C.3 1 UNL1111111111 -0.2525 17 C -3.9244 1.2384 -0.3287 C.2 1 UNL1111111111 -0.1659 18 C -4.2466 0.0228 0.1249 C.2 1 UNL1111111111 -0.1648 19 C 2.4403 -1.7233 0.1124 C.3 1 UNL1111111111 -0.3519 20 C 5.0126 1.1917 -1.4473 C.3 1 UNL1111111111 -0.4459 21 C 3.0698 -1.0874 1.3065 C.2 1 UNL1111111111 0.6466 22 H -1.3717 2.9420 -1.0068 H 1 UNL1111111111 0.1447 23 H -1.4018 1.1878 -0.8243 H 1 UNL1111111111 0.1450 24 H 0.6080 3.1224 0.5055 H 1 UNL1111111111 0.1388 25 H 0.4957 1.4166 0.9306 H 1 UNL1111111111 0.1619 26 H -1.7416 3.1432 1.5760 H 1 UNL1111111111 0.1404 27 H 0.9415 0.7650 -1.4697 H 1 UNL1111111111 0.1316 28 H 0.9910 2.4647 -1.9457 H 1 UNL1111111111 0.1342 29 H -1.8052 -0.9984 -0.2391 H 1 UNL1111111111 0.1388 30 H -2.0311 -1.5590 -1.8948 H 1 UNL1111111111 0.1359 31 H -1.4291 -3.9076 -1.2080 H 1 UNL1111111111 0.1329 32 H -1.2587 -3.3999 0.4704 H 1 UNL1111111111 0.1419 33 H -3.6173 -2.5945 0.5524 H 1 UNL1111111111 0.1401 34 H -3.8374 -3.1655 -1.1039 H 1 UNL1111111111 0.1363 35 H -4.1386 2.3269 1.5222 H 1 UNL1111111111 0.1638 36 H -3.7637 3.3394 0.1263 H 1 UNL1111111111 0.1491 37 H 2.9596 2.8716 -0.4380 H 1 UNL1111111111 0.1382 38 H 2.8753 1.2228 0.1664 H 1 UNL1111111111 0.1409 39 H 0.8974 -3.5875 -1.0500 H 1 UNL1111111111 0.1350 40 H 0.3861 -2.0591 -1.7672 H 1 UNL1111111111 0.1372 41 H -5.5698 -1.4841 -0.6241 H 1 UNL1111111111 0.1475 42 H -4.4763 -0.8385 -1.8469 H 1 UNL1111111111 0.1434 43 H 0.4425 -0.9297 0.4732 H 1 UNL1111111111 0.1575 44 H 0.7578 -2.4605 1.2821 H 1 UNL1111111111 0.1543 45 H 3.1784 0.4286 -2.3193 H 1 UNL1111111111 0.1274 46 H 3.5126 2.1106 -2.7234 H 1 UNL1111111111 0.1321 47 H -3.8888 1.4704 -1.3906 H 1 UNL1111111111 0.1425 48 H -4.3059 -0.2011 1.1897 H 1 UNL1111111111 0.1504 49 H 2.9370 -2.6928 -0.1094 H 1 UNL1111111111 0.1799 50 H 2.6290 -1.0906 -0.7855 H 1 UNL1111111111 0.1859 51 H -2.0549 0.3407 1.4109 H 1 UNL1111111111 0.3161 52 H 5.0971 0.4083 -0.6822 H 1 UNL1111111111 0.1539 53 H 5.4206 2.1141 -1.0206 H 1 UNL1111111111 0.1428 54 H 5.6572 0.9018 -2.2836 H 1 UNL1111111111 0.1387 55 H 4.9045 -0.7125 1.9483 H 1 UNL1111111111 0.3549 @BOND 1 1 6 1 2 1 51 1 3 2 21 1 4 2 55 1 5 3 21 2 6 4 5 1 7 4 6 1 8 4 22 1 9 4 23 1 10 5 7 1 11 5 24 1 12 5 25 1 13 6 11 1 14 6 26 1 15 7 12 1 16 7 27 1 17 7 28 1 18 8 9 1 19 8 10 1 20 8 29 1 21 8 30 1 22 9 13 1 23 9 31 1 24 9 32 1 25 10 14 1 26 10 33 1 27 10 34 1 28 11 17 1 29 11 35 1 30 11 36 1 31 12 16 1 32 12 37 1 33 12 38 1 34 13 15 1 35 13 39 1 36 13 40 1 37 14 18 1 38 14 41 1 39 14 42 1 40 15 19 1 41 15 43 1 42 15 44 1 43 16 20 1 44 16 45 1 45 16 46 1 46 17 18 2 47 17 47 1 48 18 48 1 49 19 21 1 50 19 49 1 51 19 50 1 52 20 52 1 53 20 53 1 54 20 54 1