@MOLECULE (2r)-2-isopropylpentanoic acid 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7704 -2.0696 -0.6100 O.3 1 UNL1111111111 -0.5769 2 O -0.3740 -1.2952 1.4336 O.2 1 UNL1111111111 -0.5150 3 C -0.1431 0.1938 -0.5070 C.3 1 UNL1111111111 -0.2028 4 C -1.3135 1.1932 -0.3276 C.3 1 UNL1111111111 -0.0560 5 C 1.1894 0.7795 -0.0167 C.3 1 UNL1111111111 -0.2761 6 C 2.3812 -0.0457 -0.5191 C.3 1 UNL1111111111 -0.2522 7 C -2.5826 0.6291 -0.9749 C.3 1 UNL1111111111 -0.4593 8 C -1.5728 1.5358 1.1400 C.3 1 UNL1111111111 -0.4604 9 C -0.4235 -1.0727 0.2529 C.2 1 UNL1111111111 0.6484 10 C 3.6921 0.5172 0.0286 C.3 1 UNL1111111111 -0.4366 11 H -0.0591 -0.0432 -1.6016 H 1 UNL1111111111 0.1761 12 H -1.0293 2.1336 -0.8650 H 1 UNL1111111111 0.1371 13 H 1.2011 0.8226 1.0923 H 1 UNL1111111111 0.1614 14 H 1.2871 1.8272 -0.3589 H 1 UNL1111111111 0.1460 15 H 2.2693 -1.1037 -0.2109 H 1 UNL1111111111 0.1414 16 H 2.4045 -0.0518 -1.6252 H 1 UNL1111111111 0.1357 17 H -3.4215 1.3270 -0.8775 H 1 UNL1111111111 0.1477 18 H -2.8892 -0.3161 -0.5103 H 1 UNL1111111111 0.1541 19 H -2.4403 0.4328 -2.0434 H 1 UNL1111111111 0.1472 20 H -0.6942 1.9874 1.6138 H 1 UNL1111111111 0.1478 21 H -2.4027 2.2435 1.2416 H 1 UNL1111111111 0.1460 22 H -1.8298 0.6461 1.7311 H 1 UNL1111111111 0.1650 23 H 3.8459 1.5564 -0.2816 H 1 UNL1111111111 0.1410 24 H 3.7124 0.4925 1.1246 H 1 UNL1111111111 0.1469 25 H 4.5514 -0.0629 -0.3267 H 1 UNL1111111111 0.1423 26 H -0.9644 -2.9299 -0.1679 H 1 UNL1111111111 0.3514 @BOND 1 1 9 1 2 1 26 1 3 2 9 2 4 3 4 1 5 3 5 1 6 3 9 1 7 3 11 1 8 4 7 1 9 4 8 1 10 4 12 1 11 5 6 1 12 5 13 1 13 5 14 1 14 6 10 1 15 6 15 1 16 6 16 1 17 7 17 1 18 7 18 1 19 7 19 1 20 8 20 1 21 8 21 1 22 8 22 1 23 10 23 1 24 10 24 1 25 10 25 1