@MOLECULE 9-(6-propyl-3-cyclohexen-1-yl)nonanoic acid 52 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -8.9509 0.3672 0.2808 O.3 1 UNL1111111111 -0.5755 2 O -7.9080 -1.3580 -0.6634 O.2 1 UNL1111111111 -0.5056 3 C 3.4879 0.6950 0.1587 C.3 1 UNL1111111111 -0.1077 4 C 4.7711 -0.0795 -0.2293 C.3 1 UNL1111111111 -0.1099 5 C 2.2134 -0.0275 -0.3149 C.3 1 UNL1111111111 -0.2944 6 C 3.5387 2.1033 -0.4717 C.3 1 UNL1111111111 -0.2846 7 C 6.0020 0.6639 0.3339 C.3 1 UNL1111111111 -0.2859 8 C 4.7587 -1.5212 0.3096 C.3 1 UNL1111111111 -0.2941 9 C 0.9455 0.6271 0.2481 C.3 1 UNL1111111111 -0.2685 10 C 4.8516 2.7834 -0.2706 C.2 1 UNL1111111111 -0.1654 11 C 5.9638 2.1330 0.0776 C.2 1 UNL1111111111 -0.1632 12 C -0.3038 -0.1407 -0.2035 C.3 1 UNL1111111111 -0.2697 13 C 5.9316 -2.3473 -0.2366 C.3 1 UNL1111111111 -0.2468 14 C -1.5742 0.5245 0.3417 C.3 1 UNL1111111111 -0.2773 15 C -2.8263 -0.2154 -0.1453 C.3 1 UNL1111111111 -0.2716 16 C 5.8184 -3.8054 0.2101 C.3 1 UNL1111111111 -0.4382 17 C -4.0949 0.4834 0.3614 C.3 1 UNL1111111111 -0.2712 18 C -5.3446 -0.2724 -0.1014 C.3 1 UNL1111111111 -0.2569 19 C -6.6151 0.4377 0.3732 C.3 1 UNL1111111111 -0.3479 20 C -7.8257 -0.3129 -0.0758 C.2 1 UNL1111111111 0.6470 21 H 3.4604 0.7959 1.2683 H 1 UNL1111111111 0.1384 22 H 4.8426 -0.1054 -1.3413 H 1 UNL1111111111 0.1383 23 H 2.1777 -0.0457 -1.4195 H 1 UNL1111111111 0.1396 24 H 2.2390 -1.0892 -0.0001 H 1 UNL1111111111 0.1410 25 H 3.3311 2.0344 -1.5610 H 1 UNL1111111111 0.1496 26 H 2.7222 2.7246 -0.0511 H 1 UNL1111111111 0.1424 27 H 6.0756 0.4901 1.4286 H 1 UNL1111111111 0.1496 28 H 6.9244 0.2277 -0.1006 H 1 UNL1111111111 0.1433 29 H 4.7788 -1.5144 1.4145 H 1 UNL1111111111 0.1389 30 H 3.8103 -2.0220 0.0326 H 1 UNL1111111111 0.1411 31 H 0.9945 0.6580 1.3525 H 1 UNL1111111111 0.1371 32 H 0.8771 1.6800 -0.0825 H 1 UNL1111111111 0.1360 33 H 4.8440 3.8566 -0.4453 H 1 UNL1111111111 0.1379 34 H 6.9127 2.6476 0.2109 H 1 UNL1111111111 0.1384 35 H -0.3423 -0.1819 -1.3081 H 1 UNL1111111111 0.1371 36 H -0.2496 -1.1906 0.1385 H 1 UNL1111111111 0.1370 37 H 6.8934 -1.9239 0.1078 H 1 UNL1111111111 0.1332 38 H 5.9524 -2.2903 -1.3414 H 1 UNL1111111111 0.1346 39 H -1.6124 1.5832 0.0240 H 1 UNL1111111111 0.1361 40 H -1.5483 0.5407 1.4472 H 1 UNL1111111111 0.1362 41 H -2.8046 -1.2656 0.2015 H 1 UNL1111111111 0.1393 42 H -2.8339 -0.2617 -1.2507 H 1 UNL1111111111 0.1391 43 H 4.8982 -4.2692 -0.1619 H 1 UNL1111111111 0.1417 44 H 6.6597 -4.4004 -0.1615 H 1 UNL1111111111 0.1388 45 H 5.8126 -3.8897 1.3024 H 1 UNL1111111111 0.1419 46 H -4.0739 0.5481 1.4655 H 1 UNL1111111111 0.1376 47 H -4.1210 1.5272 -0.0042 H 1 UNL1111111111 0.1373 48 H -5.3267 -1.3147 0.2765 H 1 UNL1111111111 0.1544 49 H -5.3510 -0.3661 -1.2060 H 1 UNL1111111111 0.1528 50 H -6.6534 1.4819 -0.0084 H 1 UNL1111111111 0.1816 51 H -6.6247 0.5367 1.4811 H 1 UNL1111111111 0.1812 52 H -9.7886 -0.0810 0.0123 H 1 UNL1111111111 0.3559 @BOND 1 1 20 1 2 1 52 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 8 1 10 4 22 1 11 5 9 1 12 5 23 1 13 5 24 1 14 6 10 1 15 6 25 1 16 6 26 1 17 7 11 1 18 7 27 1 19 7 28 1 20 8 13 1 21 8 29 1 22 8 30 1 23 9 12 1 24 9 31 1 25 9 32 1 26 10 11 2 27 10 33 1 28 11 34 1 29 12 14 1 30 12 35 1 31 12 36 1 32 13 16 1 33 13 37 1 34 13 38 1 35 14 15 1 36 14 39 1 37 14 40 1 38 15 17 1 39 15 41 1 40 15 42 1 41 16 43 1 42 16 44 1 43 16 45 1 44 17 18 1 45 17 46 1 46 17 47 1 47 18 19 1 48 18 48 1 49 18 49 1 50 19 20 1 51 19 50 1 52 19 51 1