REMARK  Name = BDB038851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.291  -2.186  -0.465  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1       -0.772  -1.284  -0.071  0.00  0.00    -0.341 N 
ATOM      3  C   LIG    1       -0.609   0.037   0.322  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.862   0.465   0.778  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.994   1.758   1.308  0.00  0.00    +0.045 A 
ATOM      6  CA  LIG    1       -0.853   2.542   1.352  0.00  0.00    +0.149 A 
ATOM      7  N   LIG    1        0.352   2.137   0.890  0.00  0.00    -0.238 NA
ATOM      8  C   LIG    1       -2.797  -0.593   0.565  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.184  -0.723   0.793  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -4.834  -1.914   0.454  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.122  -2.969  -0.105  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.747  -2.865  -0.334  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        0.500   0.901   0.349  0.00  0.00    +0.096 A 
ATOM     14  C   LIG    1       -2.100  -1.665   0.012  0.00  0.00    +0.050 A 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        1.826   0.606  -0.185  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        2.936   0.518   0.672  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        4.216   0.257   0.173  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        4.397   0.095  -1.205  0.00  0.00    +0.126 A 
ATOM     19  C   LIG    1        3.309   0.197  -2.081  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        2.034   0.458  -1.568  0.00  0.00    +0.012 A 
BRANCH  18  21
ATOM     21  N   LIG    1        5.737  -0.181  -1.738  0.00  0.00    +0.056 N 
ATOM     22  O   LIG    1        5.850  -0.332  -2.963  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        6.674  -0.260  -0.931  0.00  0.00    -0.126 OA
ENDBRANCH  18  21
ENDBRANCH  13  15
BRANCH   6  24
ATOM     24  C   LIG    1       -0.889   3.928   1.919  0.00  0.00    +0.355 C 
ATOM     25  O   LIG    1        0.044   4.704   2.024  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  OXT LIG    1       -2.119   4.292   2.344  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1       -1.974   5.204   2.678  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 4