@MOLECULE (2R,3S,4S)-3-formyl-2-hydroxy-4-methyl-hexanoic acid 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0752 -2.4346 -0.4505 O.2 1 UNL111111111 -0.4260 2 C -0.1218 -1.5015 0.2845 C.2 1 UNL111111111 0.3406 3 C -0.1913 -0.0821 -0.2533 C.3 1 UNL111111111 -0.2906 4 C -1.5737 0.5198 0.0929 C.3 1 UNL111111111 -0.0679 5 C -2.6996 -0.3849 -0.4499 C.3 1 UNL111111111 -0.2732 6 C -4.0258 -0.1091 0.2577 C.3 1 UNL111111111 -0.4381 7 C -1.7115 1.9257 -0.5025 C.3 1 UNL111111111 -0.4541 8 C 0.9417 0.7440 0.3754 C.3 1 UNL111111111 0.0871 9 O 0.9161 0.6094 1.7734 O.3 1 UNL111111111 -0.5355 10 C 2.2924 0.2987 -0.1621 C.2 1 UNL111111111 0.5755 11 O 3.1314 -0.3171 0.4400 O.2 1 UNL111111111 -0.4925 12 H -0.2630 -1.6362 1.3634 H 1 UNL111111111 0.1250 13 H -0.0658 -0.0913 -1.3667 H 1 UNL111111111 0.1886 14 H -1.6588 0.5877 1.2064 H 1 UNL111111111 0.1530 15 H -2.8104 -0.2356 -1.5412 H 1 UNL111111111 0.1439 16 H -2.4446 -1.4560 -0.3315 H 1 UNL111111111 0.1420 17 H -4.8232 -0.7517 -0.1342 H 1 UNL111111111 0.1448 18 H -3.9544 -0.2965 1.3354 H 1 UNL111111111 0.1440 19 H -4.3503 0.9290 0.1254 H 1 UNL111111111 0.1428 20 H -1.4745 1.9409 -1.5721 H 1 UNL111111111 0.1485 21 H -2.7376 2.2986 -0.3938 H 1 UNL111111111 0.1505 22 H -1.0615 2.6507 -0.0008 H 1 UNL111111111 0.1443 23 H 0.7933 1.8416 0.2057 H 1 UNL111111111 0.1826 24 H 1.5950 -0.0322 2.0938 H 1 UNL111111111 0.3408 25 O 2.4558 0.6960 -1.4408 O.3 1 UNL111111111 -0.5401 26 H 3.3135 0.4002 -1.8448 H 1 UNL111111111 0.3640 @BOND 1 1 2 2 2 2 3 1 3 2 12 1 4 3 8 1 5 3 13 1 6 4 3 1 7 4 7 1 8 4 14 1 9 5 4 1 10 5 6 1 11 5 15 1 12 5 16 1 13 6 17 1 14 6 18 1 15 6 19 1 16 7 20 1 17 7 21 1 18 7 22 1 19 8 10 1 20 8 23 1 21 9 8 1 22 9 24 1 23 10 11 2 24 10 25 1 25 25 26 1