@MOLECULE 5,5-dimethyl-2-hexanone 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.3325 -0.8561 0.0016 C.3 1 UNL11111111 -0.5569 2 C 2.1737 0.1015 -0.0008 C.2 1 UNL11111111 0.4967 3 O 2.3434 1.2940 -0.0005 O.2 1 UNL11111111 -0.4580 4 C 0.8012 -0.5229 -0.0018 C.3 1 UNL11111111 -0.3837 5 C -0.2871 0.5531 -0.0037 C.3 1 UNL11111111 -0.2798 6 C -1.7239 -0.0125 -0.0002 C.3 1 UNL11111111 0.1273 7 C -1.9754 -0.8547 1.2603 C.3 1 UNL11111111 -0.4662 8 C -2.7003 1.1794 -0.0048 C.3 1 UNL11111111 -0.4681 9 C -1.9771 -0.8683 -1.2510 C.3 1 UNL11111111 -0.4661 10 H 4.2925 -0.3175 0.0025 H 1 UNL11111111 0.1804 11 H 3.3194 -1.5008 0.8889 H 1 UNL11111111 0.1709 12 H 3.3225 -1.5036 -0.8836 H 1 UNL11111111 0.1709 13 H 0.6923 -1.1842 -0.8848 H 1 UNL11111111 0.1650 14 H 0.6908 -1.1809 0.8833 H 1 UNL11111111 0.1650 15 H -0.1488 1.2179 0.8729 H 1 UNL11111111 0.1528 16 H -0.1498 1.2137 -0.8836 H 1 UNL11111111 0.1527 17 H -1.7361 -0.2920 2.1687 H 1 UNL11111111 0.1462 18 H -3.0253 -1.1589 1.3286 H 1 UNL11111111 0.1444 19 H -1.3735 -1.7681 1.2650 H 1 UNL11111111 0.1395 20 H -2.5624 1.8062 -0.8919 H 1 UNL11111111 0.1464 21 H -3.7409 0.8405 -0.0008 H 1 UNL11111111 0.1438 22 H -2.5581 1.8156 0.8750 H 1 UNL11111111 0.1465 23 H -1.3694 -1.7778 -1.2508 H 1 UNL11111111 0.1396 24 H -3.0254 -1.1795 -1.3108 H 1 UNL11111111 0.1444 25 H -1.7460 -0.3124 -2.1656 H 1 UNL11111111 0.1462 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 6 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 4 13 1 13 4 14 1 14 5 15 1 15 5 16 1 16 7 17 1 17 7 18 1 18 7 19 1 19 8 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1