@MOLECULE trans-4-tert-butylcyclohexyl acetate 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.5602 -0.5843 0.2640 O.3 1 UNL1111111111 -0.4666 2 O 3.5312 1.1246 -0.8268 O.2 1 UNL1111111111 -0.5197 3 C -1.5957 -0.1178 0.3476 C.3 1 UNL1111111111 -0.1234 4 C -3.1064 0.1008 0.0486 C.3 1 UNL1111111111 0.1120 5 C -0.9974 -1.2670 -0.4874 C.3 1 UNL1111111111 -0.2743 6 C -0.7615 1.1561 0.1091 C.3 1 UNL1111111111 -0.2715 7 C 0.4586 -1.5250 -0.0875 C.3 1 UNL1111111111 -0.3084 8 C 0.6984 0.9280 0.5133 C.3 1 UNL1111111111 -0.3259 9 C 1.2744 -0.2432 -0.2854 C.3 1 UNL1111111111 0.1587 10 C -3.6572 1.2075 0.9686 C.3 1 UNL1111111111 -0.4678 11 C -3.3543 0.4983 -1.4135 C.3 1 UNL1111111111 -0.4633 12 C -3.8857 -1.1935 0.3537 C.3 1 UNL1111111111 -0.4686 13 C 3.6191 0.1839 -0.0801 C.2 1 UNL1111111111 0.6351 14 C 4.8471 -0.3256 0.5974 C.3 1 UNL1111111111 -0.5121 15 H -1.5089 -0.3919 1.4279 H 1 UNL1111111111 0.1365 16 H -1.0589 -1.0271 -1.5652 H 1 UNL1111111111 0.1418 17 H -1.5852 -2.1925 -0.3462 H 1 UNL1111111111 0.1391 18 H -1.1750 2.0029 0.6874 H 1 UNL1111111111 0.1398 19 H -0.8171 1.4570 -0.9540 H 1 UNL1111111111 0.1432 20 H 0.5223 -1.8536 0.9677 H 1 UNL1111111111 0.1540 21 H 0.8897 -2.3495 -0.6837 H 1 UNL1111111111 0.1459 22 H 1.2984 1.8410 0.3312 H 1 UNL1111111111 0.1578 23 H 0.7752 0.7229 1.5970 H 1 UNL1111111111 0.1500 24 H 1.4020 0.0111 -1.3594 H 1 UNL1111111111 0.1379 25 H -4.7429 1.3022 0.8659 H 1 UNL1111111111 0.1440 26 H -3.2280 2.1855 0.7293 H 1 UNL1111111111 0.1453 27 H -3.4431 0.9955 2.0207 H 1 UNL1111111111 0.1439 28 H -2.9976 -0.2694 -2.1073 H 1 UNL1111111111 0.1443 29 H -2.8501 1.4363 -1.6678 H 1 UNL1111111111 0.1463 30 H -4.4231 0.6405 -1.6063 H 1 UNL1111111111 0.1431 31 H -4.9662 -1.0272 0.2892 H 1 UNL1111111111 0.1444 32 H -3.6695 -1.5620 1.3612 H 1 UNL1111111111 0.1439 33 H -3.6428 -1.9910 -0.3551 H 1 UNL1111111111 0.1438 34 H 5.0426 -1.3765 0.3345 H 1 UNL1111111111 0.1837 35 H 4.7454 -0.2831 1.6927 H 1 UNL1111111111 0.1836 36 H 5.7279 0.2697 0.3114 H 1 UNL1111111111 0.1834 @BOND 1 1 9 1 2 1 13 1 3 2 13 2 4 3 4 1 5 3 5 1 6 3 6 1 7 3 15 1 8 4 10 1 9 4 11 1 10 4 12 1 11 5 7 1 12 5 16 1 13 5 17 1 14 6 8 1 15 6 18 1 16 6 19 1 17 7 9 1 18 7 20 1 19 7 21 1 20 8 9 1 21 8 22 1 22 8 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 12 33 1 33 13 14 1 34 14 34 1 35 14 35 1 36 14 36 1