@MOLECULE 5,5-dimethyl-2-oxohexanoic acid 25 24 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.6154 -0.3798 -0.0001 C.2 1 UNL111111111 0.5127 2 O -2.6114 -1.5824 0.0035 O.2 1 UNL111111111 -0.4864 3 C -1.3700 0.5178 0.0013 C.2 1 UNL111111111 0.3932 4 O -1.4633 1.7106 0.0040 O.2 1 UNL111111111 -0.3380 5 C -0.0955 -0.2629 0.0004 C.3 1 UNL111111111 -0.3646 6 C 1.1146 0.6718 0.0012 C.3 1 UNL111111111 -0.2802 7 C 2.4721 -0.0678 -0.0006 C.3 1 UNL111111111 0.1314 8 C 2.6173 -0.9369 -1.2585 C.3 1 UNL111111111 -0.4678 9 C 3.5845 0.9978 0.0007 C.3 1 UNL111111111 -0.4728 10 C 2.6182 -0.9411 1.2543 C.3 1 UNL111111111 -0.4678 11 O -3.7512 0.3372 -0.0057 O.3 1 UNL111111111 -0.4967 12 H -0.0679 -0.9461 0.8792 H 1 UNL111111111 0.1859 13 H -0.0673 -0.9449 -0.8792 H 1 UNL111111111 0.1858 14 H 1.0635 1.3451 -0.8782 H 1 UNL111111111 0.1515 15 H 1.0645 1.3431 0.8823 H 1 UNL111111111 0.1515 16 H 2.4545 -0.3522 -2.1698 H 1 UNL111111111 0.1461 17 H 3.6208 -1.3715 -1.3242 H 1 UNL111111111 0.1452 18 H 1.9071 -1.7698 -1.2632 H 1 UNL111111111 0.1453 19 H 3.5242 1.6401 0.8853 H 1 UNL111111111 0.1462 20 H 4.5774 0.5365 -0.0004 H 1 UNL111111111 0.1465 21 H 3.5234 1.6424 -0.8821 H 1 UNL111111111 0.1462 22 H 1.9041 -1.7707 1.2599 H 1 UNL111111111 0.1453 23 H 3.6199 -1.3807 1.3149 H 1 UNL111111111 0.1452 24 H 2.4617 -0.3579 2.1678 H 1 UNL111111111 0.1461 25 H -4.5737 -0.2219 -0.0062 H 1 UNL111111111 0.3503 @BOND 1 1 2 2 2 1 3 1 3 1 11 1 4 3 4 2 5 3 5 1 6 5 6 1 7 5 12 1 8 5 13 1 9 6 7 1 10 6 14 1 11 6 15 1 12 7 8 1 13 7 9 1 14 7 10 1 15 8 16 1 16 8 17 1 17 8 18 1 18 9 19 1 19 9 20 1 20 9 21 1 21 10 22 1 22 10 23 1 23 10 24 1 24 11 25 1