@MOLECULE 11,13-dihydroxy-14-octadecenoic acid 56 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.0087 -1.3798 1.6811 O.3 1 UNL1111111111 -0.5662 2 O 5.1131 2.5642 -0.6772 O.3 1 UNL1111111111 -0.5654 3 O -6.5000 1.5208 0.2910 O.3 1 UNL1111111111 -0.5694 4 O -4.4897 2.1792 -0.4020 O.2 1 UNL1111111111 -0.5164 5 C 1.8001 -2.1873 0.0643 C.3 1 UNL1111111111 -0.2617 6 C 1.1649 -2.8993 -1.1350 C.3 1 UNL1111111111 -0.2679 7 C 2.9415 -1.2717 -0.3922 C.3 1 UNL1111111111 -0.3014 8 C 0.1276 -3.9471 -0.7077 C.3 1 UNL1111111111 -0.2719 9 C 3.4528 -0.4289 0.7831 C.3 1 UNL1111111111 0.1641 10 C -1.0156 -3.3815 0.1465 C.3 1 UNL1111111111 -0.2697 11 C -1.7870 -2.2703 -0.5748 C.3 1 UNL1111111111 -0.2702 12 C 4.5440 0.5687 0.3745 C.3 1 UNL1111111111 -0.3728 13 C -3.0125 -1.8403 0.2431 C.3 1 UNL1111111111 -0.2730 14 C 4.0336 1.6380 -0.6024 C.3 1 UNL1111111111 0.1670 15 C -3.6458 -0.5887 -0.3728 C.3 1 UNL1111111111 -0.2621 16 C -4.7910 -0.0680 0.5008 C.3 1 UNL1111111111 -0.3467 17 C 2.8019 2.3289 -0.0985 C.2 1 UNL1111111111 -0.2817 18 C 1.6039 2.1596 -0.6623 C.2 1 UNL1111111111 -0.1006 19 C 0.3637 2.8312 -0.1716 C.3 1 UNL1111111111 -0.2843 20 C -5.1753 1.3092 0.0672 C.2 1 UNL1111111111 0.6499 21 C -0.7639 1.8091 0.0457 C.3 1 UNL1111111111 -0.2426 22 C -0.4924 0.9317 1.2666 C.3 1 UNL1111111111 -0.4419 23 H 2.1874 -2.9249 0.7948 H 1 UNL1111111111 0.1557 24 H 1.0338 -1.6032 0.6081 H 1 UNL1111111111 0.1353 25 H 1.9535 -3.3961 -1.7338 H 1 UNL1111111111 0.1345 26 H 0.6973 -2.1579 -1.8096 H 1 UNL1111111111 0.1327 27 H 2.6028 -0.6116 -1.2101 H 1 UNL1111111111 0.1379 28 H 3.7729 -1.8810 -0.7980 H 1 UNL1111111111 0.1573 29 H 0.6341 -4.7540 -0.1419 H 1 UNL1111111111 0.1365 30 H -0.2913 -4.4320 -1.6105 H 1 UNL1111111111 0.1314 31 H 2.6179 0.0851 1.3119 H 1 UNL1111111111 0.1175 32 H -0.6149 -3.0009 1.1053 H 1 UNL1111111111 0.1395 33 H -1.7059 -4.2033 0.4164 H 1 UNL1111111111 0.1305 34 H -1.1192 -1.4017 -0.7413 H 1 UNL1111111111 0.1453 35 H -2.0984 -2.6103 -1.5787 H 1 UNL1111111111 0.1362 36 H 5.4026 0.0339 -0.0784 H 1 UNL1111111111 0.1699 37 H 4.9625 1.0700 1.2706 H 1 UNL1111111111 0.1622 38 H -2.7156 -1.6446 1.2913 H 1 UNL1111111111 0.1378 39 H -3.7491 -2.6639 0.2869 H 1 UNL1111111111 0.1376 40 H 3.9025 1.2196 -1.6275 H 1 UNL1111111111 0.1198 41 H -4.0104 -0.8075 -1.3947 H 1 UNL1111111111 0.1458 42 H -2.8763 0.2041 -0.4967 H 1 UNL1111111111 0.1627 43 H 4.4452 -0.9387 2.4313 H 1 UNL1111111111 0.3111 44 H -5.6624 -0.7568 0.4661 H 1 UNL1111111111 0.1817 45 H -4.4873 -0.0336 1.5711 H 1 UNL1111111111 0.1802 46 H 2.9662 2.9722 0.7623 H 1 UNL1111111111 0.1619 47 H 1.4565 1.5073 -1.5244 H 1 UNL1111111111 0.1428 48 H 4.8237 3.3975 -1.0933 H 1 UNL1111111111 0.3168 49 H 0.0385 3.5921 -0.9135 H 1 UNL1111111111 0.1496 50 H 0.5427 3.3954 0.7649 H 1 UNL1111111111 0.1476 51 H -1.7300 2.3405 0.1686 H 1 UNL1111111111 0.1485 52 H -0.8844 1.1818 -0.8581 H 1 UNL1111111111 0.1330 53 H 0.4746 0.4205 1.1816 H 1 UNL1111111111 0.1464 54 H -1.2630 0.1617 1.3836 H 1 UNL1111111111 0.1404 55 H -0.4719 1.5219 2.1891 H 1 UNL1111111111 0.1435 56 H -6.8097 2.4236 0.0358 H 1 UNL1111111111 0.3553 @BOND 1 1 9 1 2 1 43 1 3 2 14 1 4 2 48 1 5 3 20 1 6 3 56 1 7 4 20 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 12 1 22 9 31 1 23 10 11 1 24 10 32 1 25 10 33 1 26 11 13 1 27 11 34 1 28 11 35 1 29 12 14 1 30 12 36 1 31 12 37 1 32 13 15 1 33 13 38 1 34 13 39 1 35 14 17 1 36 14 40 1 37 15 16 1 38 15 41 1 39 15 42 1 40 16 20 1 41 16 44 1 42 16 45 1 43 17 18 2 44 17 46 1 45 18 19 1 46 18 47 1 47 19 21 1 48 19 49 1 49 19 50 1 50 21 22 1 51 21 51 1 52 21 52 1 53 22 53 1 54 22 54 1 55 22 55 1