@MOLECULE (4R)-4-hydroxy-2,5-dioxo-pentanoic acid 16 15 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0755 0.9958 0.6276 O.2 1 UNL111111111 -0.4186 2 C -2.1612 0.8686 -0.1467 C.2 1 UNL111111111 0.2877 3 C -1.5565 -0.5141 -0.3818 C.3 1 UNL111111111 0.0648 4 O -2.3821 -1.5335 0.1126 O.3 1 UNL111111111 -0.5298 5 C -0.1939 -0.6135 0.3245 C.3 1 UNL111111111 -0.4266 6 C 0.8440 0.2021 -0.3655 C.2 1 UNL111111111 0.4180 7 C 2.2449 0.0943 0.2291 C.2 1 UNL111111111 0.5279 8 O 2.8090 -1.0606 -0.1843 O.3 1 UNL111111111 -0.5396 9 O 2.7863 0.8643 0.9683 O.2 1 UNL111111111 -0.4396 10 H -1.7299 1.7137 -0.6942 H 1 UNL111111111 0.1410 11 H -1.4707 -0.7425 -1.4725 H 1 UNL111111111 0.1718 12 H -2.9725 -1.1927 0.8295 H 1 UNL111111111 0.3394 13 H -0.2842 -0.3349 1.3975 H 1 UNL111111111 0.1947 14 H 3.7395 -1.1931 0.1358 H 1 UNL111111111 0.3630 15 O 0.6442 0.9226 -1.3031 O.2 1 UNL111111111 -0.3689 16 H 0.1097 -1.6917 0.3500 H 1 UNL111111111 0.2148 @BOND 1 2 1 2 2 2 10 1 3 3 2 1 4 3 11 1 5 4 3 1 6 4 12 1 7 5 3 1 8 5 13 1 9 5 16 1 10 6 5 1 11 6 7 1 12 6 15 2 13 7 8 1 14 8 14 1 15 9 7 2