@MOLECULE cyclohexyl 2-methylpropanoate 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7784 0.5290 0.1323 C.3 1 UNL111111111 0.3164 2 C -3.9888 -0.0575 -0.5898 C.3 1 UNL111111111 -0.9965 3 C -2.8707 0.3227 1.6450 C.3 1 UNL111111111 -0.9589 4 C -1.5242 -0.1577 -0.3642 C.2 1 UNL111111111 0.2272 5 O -1.4310 -1.1955 -0.9658 O.2 1 UNL111111111 -0.3323 6 O -0.4483 0.5909 -0.0279 O.3 1 UNL111111111 -0.3757 7 C 0.8538 0.1155 -0.4079 C.3 1 UNL111111111 0.2800 8 C 1.7282 1.3696 -0.2810 C.3 1 UNL111111111 -0.4516 9 C 3.1960 0.9961 -0.5099 C.3 1 UNL111111111 -0.3653 10 C 3.6370 -0.1036 0.4655 C.3 1 UNL111111111 -0.3180 11 C 2.7485 -1.3462 0.3187 C.3 1 UNL111111111 -0.4030 12 C 1.2791 -0.9885 0.5645 C.3 1 UNL111111111 -0.4018 13 H -2.7022 1.6252 -0.0870 H 1 UNL111111111 0.1444 14 H -4.9232 0.3795 -0.2222 H 1 UNL111111111 0.2811 15 H -3.9373 0.1189 -1.6714 H 1 UNL111111111 0.2712 16 H -4.0505 -1.1464 -0.4512 H 1 UNL111111111 0.2931 17 H -3.7655 0.8064 2.0543 H 1 UNL111111111 0.2701 18 H -2.9248 -0.7408 1.9075 H 1 UNL111111111 0.2897 19 H -1.9990 0.7488 2.1596 H 1 UNL111111111 0.2737 20 H 0.8043 -0.2552 -1.4541 H 1 UNL111111111 0.1162 21 H 1.3994 2.1385 -1.0036 H 1 UNL111111111 0.1671 22 H 1.5915 1.8212 0.7203 H 1 UNL111111111 0.2343 23 H 3.3442 0.6574 -1.5526 H 1 UNL111111111 0.1965 24 H 3.8342 1.8906 -0.3885 H 1 UNL111111111 0.1635 25 H 4.6945 -0.3686 0.2856 H 1 UNL111111111 0.1515 26 H 3.5886 0.2720 1.5047 H 1 UNL111111111 0.1839 27 H 2.8686 -1.7834 -0.6911 H 1 UNL111111111 0.2011 28 H 3.0707 -2.1306 1.0277 H 1 UNL111111111 0.1754 29 H 1.1282 -0.6538 1.6072 H 1 UNL111111111 0.2095 30 H 0.6334 -1.8784 0.4311 H 1 UNL111111111 0.1573 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 7 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 7 20 1 21 8 21 1 22 8 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1