@MOLECULE cyclohexanebutyric acid 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7804 -0.4289 0.2667 O.3 1 UNL1111111111 -0.5771 2 O -3.6111 1.3097 -0.4852 O.2 1 UNL1111111111 -0.5063 3 C 1.3814 -0.3278 -0.2698 C.3 1 UNL1111111111 -0.0914 4 C 1.6937 0.9666 0.5028 C.3 1 UNL1111111111 -0.2777 5 C 2.5128 -1.3513 -0.0509 C.3 1 UNL1111111111 -0.2838 6 C 3.0402 1.5466 0.0499 C.3 1 UNL1111111111 -0.2651 7 C 3.8639 -0.7701 -0.4869 C.3 1 UNL1111111111 -0.2634 8 C 0.0477 -0.9407 0.1981 C.3 1 UNL1111111111 -0.2946 9 C 4.1648 0.5278 0.2737 C.3 1 UNL1111111111 -0.2639 10 C -1.1481 -0.0829 -0.2267 C.3 1 UNL1111111111 -0.2533 11 C -2.4590 -0.7153 0.2515 C.3 1 UNL1111111111 -0.3455 12 C -3.6081 0.1917 -0.0442 C.2 1 UNL1111111111 0.6469 13 H 1.3160 -0.0919 -1.3576 H 1 UNL1111111111 0.1356 14 H 1.7153 0.7644 1.5890 H 1 UNL1111111111 0.1366 15 H 0.8923 1.7112 0.3443 H 1 UNL1111111111 0.1358 16 H 2.3024 -2.2774 -0.6151 H 1 UNL1111111111 0.1297 17 H 2.5568 -1.6422 1.0146 H 1 UNL1111111111 0.1367 18 H 3.2561 2.4794 0.6014 H 1 UNL1111111111 0.1307 19 H 2.9910 1.8272 -1.0187 H 1 UNL1111111111 0.1366 20 H 3.8574 -0.5759 -1.5757 H 1 UNL1111111111 0.1358 21 H 4.6675 -1.5083 -0.3128 H 1 UNL1111111111 0.1294 22 H 0.0598 -1.0664 1.2966 H 1 UNL1111111111 0.1398 23 H -0.0566 -1.9598 -0.2214 H 1 UNL1111111111 0.1384 24 H 5.1324 0.9474 -0.0552 H 1 UNL1111111111 0.1294 25 H 4.2732 0.3160 1.3535 H 1 UNL1111111111 0.1352 26 H -1.0535 0.9443 0.1809 H 1 UNL1111111111 0.1571 27 H -1.1622 0.0424 -1.3271 H 1 UNL1111111111 0.1508 28 H -2.4229 -0.9246 1.3439 H 1 UNL1111111111 0.1811 29 H -2.6205 -1.7060 -0.2259 H 1 UNL1111111111 0.1807 30 H -5.5806 0.1240 0.0989 H 1 UNL1111111111 0.3558 @BOND 1 1 12 1 2 1 30 1 3 2 12 2 4 3 4 1 5 3 5 1 6 3 8 1 7 3 13 1 8 4 6 1 9 4 14 1 10 4 15 1 11 5 7 1 12 5 16 1 13 5 17 1 14 6 9 1 15 6 18 1 16 6 19 1 17 7 9 1 18 7 20 1 19 7 21 1 20 8 10 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 10 11 1 26 10 26 1 27 10 27 1 28 11 12 1 29 11 28 1 30 11 29 1