REMARK  Name = BDB038850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.247  -0.699   0.347  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1        0.972  -0.019   0.270  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1        1.259   1.326   0.349  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1        0.566   2.051   0.468  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1        2.609   1.554   0.229  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        3.216   0.313   0.042  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        4.617   0.267  -0.119  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        5.353   1.456  -0.083  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.716   2.680   0.107  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.329   2.753   0.265  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        2.182  -0.676   0.053  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.169  -2.070  -0.101  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1        0.928  -2.697  -0.041  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1       -0.242  -2.044   0.170  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1       -3.860   0.345  -0.065  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1       -2.622  -0.275  -0.268  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -1.533  -0.046   0.590  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1       -1.728   0.811   1.684  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -2.960   1.434   1.895  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.022   1.206   1.019  0.00  0.00    +0.045 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -6.118   0.556  -0.778  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.814   0.033  -0.994  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   1  17
BRANCH  13  23
ATOM     23  C   LIG    1        0.810  -4.181  -0.212  0.00  0.00    +0.355 C 
ATOM     24  O   LIG    1       -0.209  -4.848  -0.189  0.00  0.00    -0.243 OA
BRANCH  23  25
ATOM     25  OXT LIG    1        2.002  -4.785  -0.410  0.00  0.00    -0.476 OA
ATOM     26  HXT LIG    1        1.753  -5.730  -0.501  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  13  23
TORSDOF 4