@MOLECULE 8-methylnonanoic acid 32 31 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.7412 1.2284 0.7559 C.3 1 UNL1111111111 -0.9562 2 C -4.4861 0.1158 -0.2682 C.3 1 UNL1111111111 0.3707 3 C -3.1423 -0.5895 -0.0055 C.3 1 UNL1111111111 -0.6065 4 C -1.9446 0.3266 -0.2841 C.3 1 UNL1111111111 -0.3141 5 C -0.6312 -0.4246 -0.0306 C.3 1 UNL1111111111 -0.2162 6 C 0.5756 0.4971 -0.2469 C.3 1 UNL1111111111 -0.4283 7 C 1.8793 -0.2629 0.0200 C.3 1 UNL1111111111 -0.4035 8 C 3.0909 0.6476 -0.1952 C.3 1 UNL1111111111 -0.0766 9 C -5.6205 -0.9167 -0.2054 C.3 1 UNL1111111111 -1.0593 10 C 4.3532 -0.1003 0.0835 C.2 1 UNL1111111111 0.2725 11 O 4.5089 -1.2251 0.4774 O.2 1 UNL1111111111 -0.3538 12 O 5.4289 0.6938 -0.1766 O.3 1 UNL1111111111 -0.4920 13 H 6.2975 0.2560 -0.0088 H 1 UNL1111111111 0.3622 14 H 3.1089 1.0483 -1.2325 H 1 UNL1111111111 0.1636 15 H 3.0342 1.5463 0.4578 H 1 UNL1111111111 0.1578 16 H 1.8851 -0.6665 1.0528 H 1 UNL1111111111 0.1817 17 H 1.9487 -1.1529 -0.6373 H 1 UNL1111111111 0.1949 18 H 0.5666 0.8943 -1.2791 H 1 UNL1111111111 0.1736 19 H 0.5018 1.3766 0.4200 H 1 UNL1111111111 0.1780 20 H -0.6204 -0.8266 1.0005 H 1 UNL1111111111 0.1565 21 H -0.5638 -1.3030 -0.6996 H 1 UNL1111111111 0.1507 22 H -1.9810 0.6932 -1.3263 H 1 UNL1111111111 0.1637 23 H -1.9959 1.2263 0.3568 H 1 UNL1111111111 0.1778 24 H -3.1081 -0.9508 1.0387 H 1 UNL1111111111 0.2302 25 H -3.0712 -1.4937 -0.6399 H 1 UNL1111111111 0.2133 26 H -4.4643 0.5654 -1.2897 H 1 UNL1111111111 0.1071 27 H -5.7219 1.6908 0.6015 H 1 UNL1111111111 0.2593 28 H -4.7157 0.8430 1.7808 H 1 UNL1111111111 0.2883 29 H -3.9894 2.0211 0.6822 H 1 UNL1111111111 0.2421 30 H -6.5909 -0.4515 -0.4081 H 1 UNL1111111111 0.2881 31 H -5.4781 -1.7149 -0.9414 H 1 UNL1111111111 0.2771 32 H -5.6802 -1.3843 0.7833 H 1 UNL1111111111 0.2971 @BOND 1 1 27 1 2 1 28 1 3 1 29 1 4 2 1 1 5 2 9 1 6 2 26 1 7 3 2 1 8 3 24 1 9 3 25 1 10 4 3 1 11 4 22 1 12 4 23 1 13 5 4 1 14 5 20 1 15 5 21 1 16 6 5 1 17 6 18 1 18 6 19 1 19 7 6 1 20 7 16 1 21 7 17 1 22 8 10 1 23 8 7 1 24 8 14 1 25 8 15 1 26 9 30 1 27 9 31 1 28 9 32 1 29 10 11 2 30 12 10 1 31 12 13 1