@MOLECULE 1,4-diamino-2-butanone 17 16 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6652 1.2634 0.0250 O.2 1 UNL1111111111 -0.4616 2 N 3.2170 -0.3151 -0.0426 N.3 1 UNL1111111111 -0.6521 3 N -3.0399 -0.0935 0.0024 N.3 1 UNL1111111111 -0.5966 4 C 0.7931 -0.6153 0.0459 C.3 1 UNL1111111111 -0.3997 5 C 1.9330 0.4177 -0.0251 C.3 1 UNL1111111111 -0.0750 6 C -0.5424 0.0639 0.0084 C.2 1 UNL1111111111 0.4274 7 C -1.7701 -0.8333 -0.0500 C.3 1 UNL1111111111 -0.2190 8 H 0.9003 -1.3347 -0.7950 H 1 UNL1111111111 0.1871 9 H 0.8896 -1.2325 0.9614 H 1 UNL1111111111 0.1711 10 H 1.8420 1.0120 -0.9621 H 1 UNL1111111111 0.1503 11 H 1.8469 1.1389 0.8162 H 1 UNL1111111111 0.1256 12 H -1.7526 -1.4380 -0.9871 H 1 UNL1111111111 0.1703 13 H -1.7530 -1.5696 0.7859 H 1 UNL1111111111 0.1674 14 H 3.4551 -0.6831 0.8625 H 1 UNL1111111111 0.2463 15 H 3.9743 0.2593 -0.3718 H 1 UNL1111111111 0.2522 16 H -3.1113 0.5635 -0.7629 H 1 UNL1111111111 0.2545 17 H -3.1217 0.4317 0.8618 H 1 UNL1111111111 0.2520 @BOND 1 1 6 2 2 2 5 1 3 2 14 1 4 2 15 1 5 3 7 1 6 3 16 1 7 3 17 1 8 4 5 1 9 4 6 1 10 4 8 1 11 4 9 1 12 5 10 1 13 5 11 1 14 6 7 1 15 7 12 1 16 7 13 1