@MOLECULE n-acetyl-l-aspartic acid 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0987 -1.4773 0.6345 O.3 1 ASP1111111111 -0.5446 2 OD1 3.0688 0.5334 0.9936 O.3 1 ASP1111111111 -0.5660 3 OXT -0.7073 -2.8599 -0.4277 O.2 1 ASP1111111111 -0.4928 4 OD2 2.5249 0.5940 -1.1704 O.2 1 ASP1111111111 -0.4785 5 O -1.5501 1.4447 -1.3376 O.2 0 UNK0 -0.5080 6 N -0.5857 0.6363 0.5405 N.am 1 ASP1 -0.6136 7 CA -0.0656 -0.5184 -0.1731 C.3 1 ASP1 0.0434 8 CB 1.3337 -0.8957 0.3460 C.3 1 ASP1 -0.3774 9 C -0.9527 -1.7534 -0.0294 C.2 1 ASP1 0.5890 10 CG 2.3286 0.1408 -0.0769 C.2 1 ASP1 0.6507 11 C -1.3922 1.5495 -0.1431 C.2 0 UNK0 0.6220 12 C -1.9687 2.6484 0.6983 C.3 0 UNK0 -0.5279 13 HA -0.0124 -0.2721 -1.2872 H 1 ASP1 0.2287 14 HB1 1.6440 -1.8861 -0.0722 H 1 ASP1 0.2097 15 HB2 1.3382 -1.0279 1.4501 H 1 ASP1 0.1894 16 H -0.5749 0.5986 1.5468 H 1 ASP1 0.3149 17 H -2.4521 3.4028 0.0535 H 0 UNK0 0.1914 18 H -2.7388 2.2719 1.3858 H 0 UNK0 0.1775 19 H -1.2045 3.1693 1.2903 H 0 UNK0 0.1758 20 H -2.7148 -2.2520 0.6923 H 1 ASP1 0.3585 21 HD1 3.7536 1.2129 0.7766 H 1 ASP1 0.3575 @BOND 1 1 9 1 2 1 20 1 3 2 10 1 4 2 21 1 5 3 9 2 6 4 10 2 7 5 11 2 8 6 7 1 9 6 11 am 10 6 16 1 11 7 8 1 12 7 9 1 13 7 13 1 14 8 10 1 15 8 14 1 16 8 15 1 17 11 12 1 18 12 17 1 19 12 18 1 20 12 19 1