@MOLECULE 12-cyclohexyldodecanoic acid 54 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -10.0251 -0.3344 0.1232 O.3 1 UNL1111111111 -0.5755 2 O -8.9341 1.5259 -0.4285 O.2 1 UNL1111111111 -0.5058 3 C 6.2112 -0.1446 -0.2922 C.3 1 UNL1111111111 -0.0942 4 C 6.4883 1.0687 0.6133 C.3 1 UNL1111111111 -0.2768 5 C 7.3962 -1.1268 -0.2196 C.3 1 UNL1111111111 -0.2804 6 C 4.9191 -0.8657 0.1312 C.3 1 UNL1111111111 -0.2960 7 C 7.7874 1.7678 0.1923 C.3 1 UNL1111111111 -0.2642 8 C 8.6970 -0.4305 -0.6407 C.3 1 UNL1111111111 -0.2631 9 C 8.9687 0.7894 0.2494 C.3 1 UNL1111111111 -0.2631 10 C 3.6707 -0.0392 -0.2012 C.3 1 UNL1111111111 -0.2687 11 C 2.3975 -0.8109 0.1707 C.3 1 UNL1111111111 -0.2701 12 C 1.1538 0.0255 -0.1562 C.3 1 UNL1111111111 -0.2725 13 C -0.1266 -0.7414 0.1986 C.3 1 UNL1111111111 -0.2744 14 C -1.3662 0.1002 -0.1301 C.3 1 UNL1111111111 -0.2727 15 C -2.6505 -0.6670 0.2100 C.3 1 UNL1111111111 -0.2760 16 C -3.8862 0.1801 -0.1188 C.3 1 UNL1111111111 -0.2703 17 C -5.1752 -0.5749 0.2296 C.3 1 UNL1111111111 -0.2712 18 C -6.4025 0.2804 -0.1024 C.3 1 UNL1111111111 -0.2566 19 C -7.6928 -0.4701 0.2386 C.3 1 UNL1111111111 -0.3479 20 C -8.8814 0.3806 -0.0681 C.2 1 UNL1111111111 0.6469 21 H 6.1037 0.2084 -1.3447 H 1 UNL1111111111 0.1333 22 H 5.6449 1.7808 0.5656 H 1 UNL1111111111 0.1314 23 H 6.5572 0.7453 1.6677 H 1 UNL1111111111 0.1370 24 H 7.4956 -1.5231 0.8072 H 1 UNL1111111111 0.1371 25 H 7.2077 -1.9992 -0.8704 H 1 UNL1111111111 0.1300 26 H 4.9488 -1.0911 1.2128 H 1 UNL1111111111 0.1386 27 H 4.8584 -1.8462 -0.3788 H 1 UNL1111111111 0.1378 28 H 7.6830 2.1749 -0.8305 H 1 UNL1111111111 0.1347 29 H 7.9806 2.6351 0.8491 H 1 UNL1111111111 0.1287 30 H 9.5425 -1.1393 -0.5817 H 1 UNL1111111111 0.1285 31 H 8.6320 -0.1181 -1.6994 H 1 UNL1111111111 0.1348 32 H 9.1370 0.4644 1.2925 H 1 UNL1111111111 0.1351 33 H 9.8973 1.2948 -0.0695 H 1 UNL1111111111 0.1278 34 H 3.6970 0.9259 0.3385 H 1 UNL1111111111 0.1369 35 H 3.6601 0.2150 -1.2774 H 1 UNL1111111111 0.1366 36 H 2.4104 -1.0698 1.2454 H 1 UNL1111111111 0.1361 37 H 2.3630 -1.7725 -0.3741 H 1 UNL1111111111 0.1357 38 H 1.1863 0.9835 0.3956 H 1 UNL1111111111 0.1368 39 H 1.1492 0.2930 -1.2294 H 1 UNL1111111111 0.1367 40 H -0.1603 -1.6988 -0.3537 H 1 UNL1111111111 0.1362 41 H -0.1232 -1.0096 1.2713 H 1 UNL1111111111 0.1363 42 H -1.3627 0.3762 -1.2012 H 1 UNL1111111111 0.1374 43 H -1.3350 1.0538 0.4294 H 1 UNL1111111111 0.1374 44 H -2.6819 -1.6198 -0.3504 H 1 UNL1111111111 0.1361 45 H -2.6528 -0.9445 1.2805 H 1 UNL1111111111 0.1362 46 H -3.8828 0.4510 -1.1915 H 1 UNL1111111111 0.1391 47 H -3.8456 1.1371 0.4350 H 1 UNL1111111111 0.1395 48 H -5.1753 -0.8450 1.3023 H 1 UNL1111111111 0.1375 49 H -5.2134 -1.5310 -0.3254 H 1 UNL1111111111 0.1375 50 H -6.3637 1.2415 0.4495 H 1 UNL1111111111 0.1550 51 H -6.3974 0.5624 -1.1744 H 1 UNL1111111111 0.1522 52 H -7.7553 -1.4291 -0.3207 H 1 UNL1111111111 0.1816 53 H -7.7102 -0.7620 1.3122 H 1 UNL1111111111 0.1811 54 H -10.8494 0.1769 -0.0604 H 1 UNL1111111111 0.3558 @BOND 1 1 20 1 2 1 54 1 3 2 20 2 4 3 4 1 5 3 5 1 6 3 6 1 7 3 21 1 8 4 7 1 9 4 22 1 10 4 23 1 11 5 8 1 12 5 24 1 13 5 25 1 14 6 10 1 15 6 26 1 16 6 27 1 17 7 9 1 18 7 28 1 19 7 29 1 20 8 9 1 21 8 30 1 22 8 31 1 23 9 32 1 24 9 33 1 25 10 11 1 26 10 34 1 27 10 35 1 28 11 12 1 29 11 36 1 30 11 37 1 31 12 13 1 32 12 38 1 33 12 39 1 34 13 14 1 35 13 40 1 36 13 41 1 37 14 15 1 38 14 42 1 39 14 43 1 40 15 16 1 41 15 44 1 42 15 45 1 43 16 17 1 44 16 46 1 45 16 47 1 46 17 18 1 47 17 48 1 48 17 49 1 49 18 19 1 50 18 50 1 51 18 51 1 52 19 20 1 53 19 52 1 54 19 53 1