@MOLECULE 3-oxopropanenitrile 8 7 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4129 0.9105 -0.0013 O.2 1 UNL1111111111 -0.3753 2 N 2.0242 0.5440 0.0004 N.1 1 UNL1111111111 -0.2288 3 C -0.0343 -1.0397 -0.0017 C.3 1 UNL1111111111 -0.3827 4 C -1.3577 -0.2879 0.0024 C.2 1 UNL1111111111 0.3440 5 C 1.1028 -0.1540 0.0010 C.1 1 UNL1111111111 0.1251 6 H 0.0010 -1.7151 -0.8945 H 1 UNL1111111111 0.1986 7 H 0.0015 -1.7273 0.8811 H 1 UNL1111111111 0.1983 8 H -2.2579 -0.9142 0.0080 H 1 UNL1111111111 0.1210 @BOND 1 1 4 2 2 2 5 3 3 3 4 1 4 3 5 1 5 3 6 1 6 3 7 1 7 4 8 1