@MOLECULE 4-methyl-1,2-cyclohexanedicarboxylic acid 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3972 1.8695 0.8929 O.3 1 UNL1111111111 -0.5658 2 O 3.0687 1.1620 -0.2951 O.3 1 UNL1111111111 -0.5675 3 O -1.9872 1.2612 -1.2074 O.2 1 UNL1111111111 -0.5091 4 O 2.2843 -0.1936 1.2826 O.2 1 UNL1111111111 -0.5081 5 C -0.9086 -1.7100 -0.1270 C.3 1 UNL1111111111 -0.0761 6 C -0.3992 0.6856 0.5784 C.3 1 UNL1111111111 -0.1749 7 C 0.7698 0.7288 -0.4217 C.3 1 UNL1111111111 -0.1726 8 C -0.7202 -0.7415 1.0517 C.3 1 UNL1111111111 -0.2848 9 C 0.3632 -1.7170 -0.9908 C.3 1 UNL1111111111 -0.2841 10 C 0.6283 -0.3147 -1.5431 C.3 1 UNL1111111111 -0.2681 11 C -1.2060 -3.1170 0.3970 C.3 1 UNL1111111111 -0.4588 12 C -1.6336 1.2687 -0.0588 C.2 1 UNL1111111111 0.6369 13 C 2.0621 0.4770 0.3112 C.2 1 UNL1111111111 0.6379 14 H -1.7680 -1.3658 -0.7532 H 1 UNL1111111111 0.1425 15 H -0.1339 1.3011 1.4819 H 1 UNL1111111111 0.1825 16 H 0.8139 1.7481 -0.8962 H 1 UNL1111111111 0.1823 17 H 0.1103 -1.1000 1.6995 H 1 UNL1111111111 0.1756 18 H -1.6195 -0.7356 1.6962 H 1 UNL1111111111 0.1500 19 H 0.2548 -2.4368 -1.8228 H 1 UNL1111111111 0.1404 20 H 1.2261 -2.0698 -0.3936 H 1 UNL1111111111 0.1494 21 H 1.5332 -0.3123 -2.1806 H 1 UNL1111111111 0.1486 22 H -0.2094 -0.0109 -2.2101 H 1 UNL1111111111 0.1731 23 H -1.3546 -3.8244 -0.4264 H 1 UNL1111111111 0.1457 24 H -0.3857 -3.4999 1.0152 H 1 UNL1111111111 0.1496 25 H -2.1146 -3.1321 1.0087 H 1 UNL1111111111 0.1448 26 H -3.2379 2.2555 0.5457 H 1 UNL1111111111 0.3554 27 H 3.9533 1.0260 0.1234 H 1 UNL1111111111 0.3554 @BOND 1 1 12 1 2 1 26 1 3 2 13 1 4 2 27 1 5 3 12 2 6 4 13 2 7 5 8 1 8 5 9 1 9 5 11 1 10 5 14 1 11 6 7 1 12 6 8 1 13 6 12 1 14 6 15 1 15 7 10 1 16 7 13 1 17 7 16 1 18 8 17 1 19 8 18 1 20 9 10 1 21 9 19 1 22 9 20 1 23 10 21 1 24 10 22 1 25 11 23 1 26 11 24 1 27 11 25 1