@MOLECULE n-isovaleryl-glycine 24 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5647 1.7037 -0.1722 O.2 1 UNL1111111111 -0.5359 2 O 2.7427 -1.1930 -0.5919 O.3 1 UNL1111111111 -0.5703 3 O 3.8687 0.5594 0.2010 O.2 1 UNL1111111111 -0.4868 4 N 0.3835 -0.3140 0.1625 N.am 1 UNL1111111111 -0.5986 5 C -2.9249 -0.5022 -0.2591 C.3 1 UNL1111111111 -0.0367 6 C -1.6977 -0.1889 -1.1402 C.3 1 UNL1111111111 -0.3793 7 C -3.5266 0.7839 0.3115 C.3 1 UNL1111111111 -0.4607 8 C -2.5633 -1.4738 0.8684 C.3 1 UNL1111111111 -0.4635 9 C -0.6074 0.5059 -0.3608 C.2 1 UNL1111111111 0.6072 10 C 1.5329 0.2720 0.8335 C.3 1 UNL1111111111 -0.1330 11 C 2.8361 -0.0489 0.1343 C.2 1 UNL1111111111 0.6125 12 H -3.6903 -0.9916 -0.9144 H 1 UNL1111111111 0.1333 13 H -1.3336 -1.1136 -1.6251 H 1 UNL1111111111 0.1568 14 H -2.0063 0.4852 -1.9705 H 1 UNL1111111111 0.1794 15 H -4.4003 0.5757 0.9368 H 1 UNL1111111111 0.1440 16 H -3.8398 1.4696 -0.4842 H 1 UNL1111111111 0.1503 17 H -2.8009 1.3325 0.9283 H 1 UNL1111111111 0.1656 18 H -3.4522 -1.7538 1.4457 H 1 UNL1111111111 0.1487 19 H -2.1197 -2.3966 0.4825 H 1 UNL1111111111 0.1398 20 H -1.8514 -1.0277 1.5735 H 1 UNL1111111111 0.1549 21 H 0.4223 -1.3025 -0.0288 H 1 UNL1111111111 0.3232 22 H 1.5933 -0.0950 1.8895 H 1 UNL1111111111 0.1724 23 H 1.4211 1.3929 0.8971 H 1 UNL1111111111 0.2154 24 H 3.5779 -1.4277 -1.0679 H 1 UNL1111111111 0.3612 @BOND 1 1 9 2 2 2 11 1 3 2 24 1 4 3 11 2 5 4 9 am 6 4 10 1 7 4 21 1 8 5 6 1 9 5 7 1 10 5 8 1 11 5 12 1 12 6 9 1 13 6 13 1 14 6 14 1 15 7 15 1 16 7 16 1 17 7 17 1 18 8 18 1 19 8 19 1 20 8 20 1 21 10 11 1 22 10 22 1 23 10 23 1