@MOLECULE trans-4-tert-butylcyclohexanol 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6943 -0.0563 -0.1828 O.3 1 UNL111111111 -0.5772 2 C 0.4980 -0.0075 -0.3321 C.3 1 UNL111111111 -0.1230 3 C 2.0256 -0.0014 -0.0394 C.3 1 UNL111111111 0.1108 4 C -0.2115 -1.2571 0.2262 C.3 1 UNL111111111 -0.2773 5 C -0.1979 1.2488 0.2269 C.3 1 UNL111111111 -0.2732 6 C -1.6910 -1.2608 -0.1718 C.3 1 UNL111111111 -0.3007 7 C -1.6733 1.2729 -0.1818 C.3 1 UNL111111111 -0.3381 8 C -2.3752 0.0119 0.3408 C.3 1 UNL111111111 0.1726 9 C 2.6693 1.2403 -0.6876 C.3 1 UNL111111111 -0.4678 10 C 2.3254 0.0111 1.4664 C.3 1 UNL111111111 -0.4637 11 C 2.6757 -1.2486 -0.6686 C.3 1 UNL111111111 -0.4669 12 H 0.3747 -0.0078 -1.4432 H 1 UNL111111111 0.1380 13 H -0.1140 -1.2919 1.3266 H 1 UNL111111111 0.1384 14 H 0.2719 -2.1766 -0.1522 H 1 UNL111111111 0.1387 15 H 0.3025 2.1623 -0.1426 H 1 UNL111111111 0.1377 16 H -0.1084 1.2750 1.3284 H 1 UNL111111111 0.1387 17 H -1.8045 -1.3258 -1.2697 H 1 UNL111111111 0.1555 18 H -2.2066 -2.1524 0.2305 H 1 UNL111111111 0.1483 19 H -2.1652 2.1822 0.2050 H 1 UNL111111111 0.1340 20 H -1.7685 1.3198 -1.2838 H 1 UNL111111111 0.1552 21 H -2.4531 0.0170 1.4494 H 1 UNL111111111 0.1099 22 H 3.7613 1.2010 -0.6156 H 1 UNL111111111 0.1447 23 H 2.4121 1.3158 -1.7488 H 1 UNL111111111 0.1446 24 H 2.3509 2.1667 -0.1990 H 1 UNL111111111 0.1433 25 H 1.9013 -0.8641 1.9688 H 1 UNL111111111 0.1447 26 H 1.9184 0.9030 1.9530 H 1 UNL111111111 0.1435 27 H 3.4050 0.0031 1.6520 H 1 UNL111111111 0.1439 28 H 2.4277 -1.3345 -1.7312 H 1 UNL111111111 0.1448 29 H 3.7671 -1.2084 -0.5872 H 1 UNL111111111 0.1440 30 H 2.3510 -2.1678 -0.1719 H 1 UNL111111111 0.1445 31 H -4.1863 0.7625 0.0014 H 1 UNL111111111 0.3122 @BOND 1 1 8 1 2 1 31 1 3 2 3 1 4 2 4 1 5 2 5 1 6 2 12 1 7 3 9 1 8 3 10 1 9 3 11 1 10 4 6 1 11 4 13 1 12 4 14 1 13 5 7 1 14 5 15 1 15 5 16 1 16 6 8 1 17 6 17 1 18 6 18 1 19 7 8 1 20 7 19 1 21 7 20 1 22 8 21 1 23 9 22 1 24 9 23 1 25 9 24 1 26 10 25 1 27 10 26 1 28 10 27 1 29 11 28 1 30 11 29 1 31 11 30 1