@MOLECULE methylcyclohexane 21 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.4863 0.0011 0.0823 C.3 1 UNL1 -0.4619 2 C -1.0133 -0.0014 -0.3412 C.3 1 UNL1 -0.0736 3 C -0.3061 1.2592 0.1891 C.3 1 UNL1 -0.2795 4 C 1.1712 1.2603 -0.2246 C.3 1 UNL1 -0.2646 5 C 1.8756 0.0013 0.2983 C.3 1 UNL1 -0.2629 6 C 1.1726 -1.2588 -0.2237 C.3 1 UNL1 -0.2646 7 C -0.3055 -1.2620 0.1887 C.3 1 UNL1 -0.2795 8 H -3.0052 0.8895 -0.2944 H 1 UNL1 0.1432 9 H -3.0129 -0.8769 -0.3053 H 1 UNL1 0.1431 10 H -2.5919 -0.0046 1.1724 H 1 UNL1 0.1446 11 H -0.9577 -0.0029 -1.4565 H 1 UNL1 0.1299 12 H -0.8089 2.1646 -0.1938 H 1 UNL1 0.1302 13 H -0.3896 1.3036 1.2902 H 1 UNL1 0.1374 14 H 1.2553 1.3095 -1.3262 H 1 UNL1 0.1347 15 H 1.6727 2.1656 0.1620 H 1 UNL1 0.1288 16 H 2.9364 0.0015 -0.0101 H 1 UNL1 0.1283 17 H 1.8765 0.0017 1.4041 H 1 UNL1 0.1353 18 H 1.2569 -1.3080 -1.3253 H 1 UNL1 0.1346 19 H 1.6764 -2.1629 0.1624 H 1 UNL1 0.1288 20 H -0.3905 -1.3093 1.2894 H 1 UNL1 0.1373 21 H -0.8055 -2.1678 -0.1972 H 1 UNL1 0.1302 @BOND 1 11 2 1 2 14 4 1 3 18 6 1 4 2 1 1 5 2 7 1 6 2 3 1 7 9 1 1 8 8 1 1 9 4 15 1 10 4 3 1 11 4 5 1 12 6 19 1 13 6 7 1 14 6 5 1 15 21 7 1 16 12 3 1 17 16 5 1 18 1 10 1 19 7 20 1 20 3 13 1 21 5 17 1