@MOLECULE 1,3-di-tert-butyl-5-methylcyclohexane 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.2661 -0.0152 0.4052 C.3 1 UNL1111111111 -0.1249 2 C 1.2663 -0.0138 0.4042 C.3 1 UNL1111111111 -0.1247 3 C 0.0002 -0.7253 -0.1090 C.3 1 UNL1111111111 -0.2927 4 C -1.2606 1.4379 -0.1018 C.3 1 UNL1111111111 -0.2947 5 C 1.2582 1.4362 -0.1118 C.3 1 UNL1111111111 -0.2946 6 C 0.0014 2.1686 0.3883 C.3 1 UNL1111111111 -0.0772 7 C -2.5644 -0.7741 0.0063 C.3 1 UNL1111111111 0.1133 8 C 2.5646 -0.7741 0.0071 C.3 1 UNL1111111111 0.1133 9 C 0.0002 3.6159 -0.1167 C.3 1 UNL1111111111 -0.4575 10 C -3.7896 -0.0405 0.5862 C.3 1 UNL1111111111 -0.4675 11 C -2.7241 -0.8836 -1.5169 C.3 1 UNL1111111111 -0.4629 12 C -2.5373 -2.1926 0.6095 C.3 1 UNL1111111111 -0.4659 13 C 2.5433 -2.1858 0.6258 C.3 1 UNL1111111111 -0.4659 14 C 2.7174 -0.8992 -1.5156 C.3 1 UNL1111111111 -0.4629 15 C 3.7909 -0.0317 0.5734 C.3 1 UNL1111111111 -0.4674 16 H -1.2267 0.0045 1.5219 H 1 UNL1111111111 0.1328 17 H 1.2272 0.0110 1.5205 H 1 UNL1111111111 0.1329 18 H 0.0010 -1.7792 0.2199 H 1 UNL1111111111 0.1374 19 H -0.0004 -0.7426 -1.2134 H 1 UNL1111111111 0.1417 20 H -2.1592 1.9745 0.2496 H 1 UNL1111111111 0.1348 21 H -1.3011 1.4563 -1.2055 H 1 UNL1111111111 0.1406 22 H 1.2873 1.4483 -1.2158 H 1 UNL1111111111 0.1405 23 H 2.1603 1.9746 0.2275 H 1 UNL1111111111 0.1349 24 H 0.0057 2.1748 1.5039 H 1 UNL1111111111 0.1290 25 H 0.0028 3.6591 -1.2110 H 1 UNL1111111111 0.1437 26 H -0.8848 4.1577 0.2331 H 1 UNL1111111111 0.1415 27 H 0.8816 4.1605 0.2376 H 1 UNL1111111111 0.1414 28 H -3.6794 0.1310 1.6613 H 1 UNL1111111111 0.1431 29 H -4.7052 -0.6216 0.4363 H 1 UNL1111111111 0.1431 30 H -3.9437 0.9309 0.1062 H 1 UNL1111111111 0.1437 31 H -1.8932 -1.4337 -1.9700 H 1 UNL1111111111 0.1445 32 H -2.7640 0.1033 -1.9888 H 1 UNL1111111111 0.1438 33 H -3.6479 -1.4100 -1.7790 H 1 UNL1111111111 0.1427 34 H -1.7636 -2.8140 0.1480 H 1 UNL1111111111 0.1439 35 H -3.4931 -2.7040 0.4573 H 1 UNL1111111111 0.1424 36 H -2.3457 -2.1636 1.6866 H 1 UNL1111111111 0.1432 37 H 1.7638 -2.8117 0.1802 H 1 UNL1111111111 0.1439 38 H 3.4969 -2.6998 0.4683 H 1 UNL1111111111 0.1424 39 H 2.3639 -2.1451 1.7046 H 1 UNL1111111111 0.1432 40 H 2.7445 0.0827 -1.9987 H 1 UNL1111111111 0.1439 41 H 1.8900 -1.4630 -1.9582 H 1 UNL1111111111 0.1445 42 H 3.6451 -1.4190 -1.7768 H 1 UNL1111111111 0.1427 43 H 3.6837 0.1540 1.6465 H 1 UNL1111111111 0.1431 44 H 4.7065 -0.6140 0.4286 H 1 UNL1111111111 0.1430 45 H 3.9429 0.9333 0.0799 H 1 UNL1111111111 0.1437 @BOND 1 1 3 1 2 1 4 1 3 1 7 1 4 1 16 1 5 2 3 1 6 2 5 1 7 2 8 1 8 2 17 1 9 3 18 1 10 3 19 1 11 4 6 1 12 4 20 1 13 4 21 1 14 5 6 1 15 5 22 1 16 5 23 1 17 6 9 1 18 6 24 1 19 7 10 1 20 7 11 1 21 7 12 1 22 8 13 1 23 8 14 1 24 8 15 1 25 9 25 1 26 9 26 1 27 9 27 1 28 10 28 1 29 10 29 1 30 10 30 1 31 11 31 1 32 11 32 1 33 11 33 1 34 12 34 1 35 12 35 1 36 12 36 1 37 13 37 1 38 13 38 1 39 13 39 1 40 14 40 1 41 14 41 1 42 14 42 1 43 15 43 1 44 15 44 1 45 15 45 1