REMARK  Name = BDB000599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.462  -0.878  -0.086  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -0.556   0.040  -0.394  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -1.647  -0.123   0.460  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -2.792   0.646   0.377  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.824   1.627  -0.615  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.728   1.810  -1.480  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.315  -1.198   1.395  0.00  0.00    +0.250 C 
ATOM      8  O   LIG    1       -2.006  -1.641   2.282  0.00  0.00    -0.282 OA
ATOM      9  C   LIG    1       -0.579   1.014  -1.374  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.119  -1.643   1.014  0.00  0.00    +0.292 C 
ATOM     11  O   LIG    1        0.797  -2.455   1.608  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        1.749  -0.948  -0.743  0.00  0.00    +0.209 C 
BRANCH  12  16
ATOM     13  N   LIG    1        2.875  -0.132   1.287  0.00  0.00    -0.328 N 
ATOM     14  H   LIG    1        3.656   0.347   1.717  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        2.517  -0.951   1.772  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        2.781  -0.042  -0.075  0.00  0.00    +0.228 C 
ATOM     17  O   LIG    1        3.563   0.658  -0.710  0.00  0.00    -0.274 OA
ENDBRANCH  12  16
ENDBRANCH   1  12
TORSDOF 2