@MOLECULE (4s,5s)-5-hydroxy-4-methyl-3-heptanone 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5686 0.6648 -1.1363 O.3 1 UNL1111111111 -0.5641 2 O 0.9221 -0.3615 -1.1906 O.2 1 UNL1111111111 -0.4763 3 C 0.0433 0.8371 0.6748 C.3 1 UNL1111111111 -0.2870 4 C -1.3939 0.4478 0.2386 C.3 1 UNL1111111111 0.1751 5 C -1.6985 -1.0193 0.5896 C.3 1 UNL1111111111 -0.3224 6 C 1.0787 -0.0064 -0.0467 C.2 1 UNL1111111111 0.4861 7 C 0.3084 2.3011 0.3248 C.3 1 UNL1111111111 -0.4271 8 C 2.3165 -0.3662 0.7347 C.3 1 UNL1111111111 -0.3644 9 C -3.1551 -1.3405 0.2654 C.3 1 UNL1111111111 -0.4247 10 C 3.3091 -1.1341 -0.1309 C.3 1 UNL1111111111 -0.4155 11 H 0.1270 0.6950 1.7766 H 1 UNL1111111111 0.1558 12 H -2.1408 1.1376 0.6936 H 1 UNL1111111111 0.1405 13 H -1.4896 -1.2128 1.6558 H 1 UNL1111111111 0.1351 14 H -1.0318 -1.6897 0.0126 H 1 UNL1111111111 0.1507 15 H 0.1501 2.4824 -0.7508 H 1 UNL1111111111 0.1731 16 H -0.3806 2.9677 0.8585 H 1 UNL1111111111 0.1542 17 H 1.3290 2.6094 0.5725 H 1 UNL1111111111 0.1412 18 H 2.7864 0.5550 1.1363 H 1 UNL1111111111 0.1646 19 H 2.0363 -0.9685 1.6232 H 1 UNL1111111111 0.1635 20 H -3.3677 -2.4076 0.3857 H 1 UNL1111111111 0.1388 21 H -3.3886 -1.0684 -0.7751 H 1 UNL1111111111 0.1636 22 H -3.8472 -0.7854 0.9072 H 1 UNL1111111111 0.1386 23 H -0.8467 0.2201 -1.6416 H 1 UNL1111111111 0.3449 24 H 3.5944 -0.5554 -1.0201 H 1 UNL1111111111 0.1573 25 H 2.8739 -2.0722 -0.5011 H 1 UNL1111111111 0.1575 26 H 4.2227 -1.3791 0.4196 H 1 UNL1111111111 0.1409 @BOND 1 1 4 1 2 1 23 1 3 2 6 2 4 3 4 1 5 3 6 1 6 3 7 1 7 3 11 1 8 4 5 1 9 4 12 1 10 5 9 1 11 5 13 1 12 5 14 1 13 6 8 1 14 7 15 1 15 7 16 1 16 7 17 1 17 8 10 1 18 8 18 1 19 8 19 1 20 9 20 1 21 9 21 1 22 9 22 1 23 10 24 1 24 10 25 1 25 10 26 1