@MOLECULE (2r,3r)-3-hydroxy-2-methyl-pentanoic acid 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7156 1.6406 0.8335 O.3 1 UNL1111111111 -0.5687 2 O 1.9638 -1.4169 -0.2394 O.3 1 UNL1111111111 -0.5547 3 O 1.3014 -0.0863 1.4167 O.2 1 UNL1111111111 -0.5392 4 C -1.0110 0.6715 -0.1383 C.3 1 UNL1111111111 0.1709 5 C 0.2953 0.1529 -0.7961 C.3 1 UNL1111111111 -0.2326 6 C -1.8336 -0.4576 0.5024 C.3 1 UNL1111111111 -0.3249 7 C 1.0318 1.2997 -1.4861 C.3 1 UNL1111111111 -0.4323 8 C -2.4768 -1.3564 -0.5467 C.3 1 UNL1111111111 -0.4350 9 C 1.2000 -0.4152 0.2594 C.2 1 UNL1111111111 0.6527 10 H -1.6149 1.2437 -0.8802 H 1 UNL1111111111 0.1463 11 H 0.0416 -0.6379 -1.5473 H 1 UNL1111111111 0.1814 12 H -2.6154 0.0051 1.1420 H 1 UNL1111111111 0.1635 13 H -1.2107 -1.0498 1.1985 H 1 UNL1111111111 0.1499 14 H 2.0080 0.9847 -1.8749 H 1 UNL1111111111 0.1551 15 H 1.1948 2.1425 -0.7957 H 1 UNL1111111111 0.1726 16 H 0.4520 1.6906 -2.3316 H 1 UNL1111111111 0.1561 17 H -3.1346 -2.0991 -0.0774 H 1 UNL1111111111 0.1488 18 H -3.0897 -0.7828 -1.2519 H 1 UNL1111111111 0.1449 19 H -1.7310 -1.9112 -1.1270 H 1 UNL1111111111 0.1417 20 H -0.0637 1.2944 1.4869 H 1 UNL1111111111 0.3463 21 H 2.5905 -1.8084 0.4199 H 1 UNL1111111111 0.3571 @BOND 1 1 4 1 2 1 20 1 3 2 9 1 4 2 21 1 5 3 9 2 6 4 5 1 7 4 6 1 8 4 10 1 9 5 7 1 10 5 9 1 11 5 11 1 12 6 8 1 13 6 12 1 14 6 13 1 15 7 14 1 16 7 15 1 17 7 16 1 18 8 17 1 19 8 18 1 20 8 19 1