@MOLECULE (3s)-3-amino-4-oxopentanoic acid 18 17 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.4555 1.7177 0.2282 N.3 1 UNL1111111111 -0.6284 2 C 0.5187 0.2632 0.4211 C.3 1 UNL1111111111 -0.0315 3 C -0.5182 -0.5561 -0.3839 C.3 1 UNL1111111111 -0.4152 4 C -1.9125 -0.1442 -0.0506 C.2 1 UNL1111111111 0.6552 5 O -2.3513 0.9620 0.1339 O.2 1 UNL1111111111 -0.5189 6 O -2.7211 -1.2310 0.0134 O.3 1 UNL1111111111 -0.5560 7 C 1.9102 -0.1900 -0.0604 C.2 1 UNL1111111111 0.4858 8 O 2.2155 -0.0350 -1.2143 O.2 1 UNL1111111111 -0.4492 9 C 2.8175 -0.8137 0.9460 C.3 1 UNL1111111111 -0.5476 10 H 0.7288 1.9862 -0.7084 H 1 UNL1111111111 0.2640 11 H -0.4791 2.0668 0.4097 H 1 UNL1111111111 0.2803 12 H 0.3863 0.0664 1.5167 H 1 UNL1111111111 0.1627 13 H -0.3472 -0.4189 -1.4794 H 1 UNL1111111111 0.2044 14 H -0.3737 -1.6450 -0.2101 H 1 UNL1111111111 0.1914 15 H -3.6705 -1.0138 0.1931 H 1 UNL1111111111 0.3594 16 H 2.3145 -1.5719 1.5598 H 1 UNL1111111111 0.1719 17 H 3.6823 -1.2989 0.4637 H 1 UNL1111111111 0.1822 18 H 3.2250 -0.0469 1.6273 H 1 UNL1111111111 0.1895 @BOND 1 1 2 1 2 1 10 1 3 1 11 1 4 2 3 1 5 2 7 1 6 2 12 1 7 3 4 1 8 3 13 1 9 3 14 1 10 4 5 2 11 4 6 1 12 6 15 1 13 7 8 2 14 7 9 1 15 9 16 1 16 9 17 1 17 9 18 1