REMARK  Name = BDB050428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.410  -0.814  -1.042  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -0.060  -0.922  -0.650  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        0.825  -1.836  -1.222  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1        2.097  -1.668  -0.583  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1        1.953  -0.654   0.352  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        3.325  -2.451  -0.890  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        0.340  -2.683  -2.237  0.00  0.00    +0.133 A 
ATOM      8  F   LIG    1        1.149  -3.578  -2.822  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -0.988  -2.601  -2.653  0.00  0.00    +0.040 A 
ATOM     10  N   LIG    1        0.650  -0.224   0.302  0.00  0.00    -0.357 N 
ATOM     11  H   LIG    1        0.251   0.499   0.887  0.00  0.00    +0.166 HD
ATOM     12  C   LIG    1       -1.849  -1.678  -2.063  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.111  -0.152   0.688  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -2.302   0.169  -0.417  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -2.376   1.492  -0.905  0.00  0.00    -0.038 A 
ATOM     16  C   LIG    1       -1.562   1.950  -2.087  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -3.224   2.407  -0.269  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -3.976   2.003   0.823  0.00  0.00    +0.117 A 
ATOM     19  N   LIG    1       -3.925   0.753   1.297  0.00  0.00    -0.237 NA
BRANCH  18  20
ATOM     20  N   LIG    1       -4.828   2.906   1.464  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1       -5.524   3.242   0.806  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -4.296   3.701   1.800  0.00  0.00    +0.144 HD
ENDBRANCH  18  20
BRANCH  13  24
ATOM     23  C   LIG    1       -2.221  -1.608   2.531  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -3.133  -1.526   1.317  0.00  0.00    +0.053 C 
ENDBRANCH  13  24
ENDBRANCH   1  14
BRANCH   5  25
ATOM     25  C   LIG    1        2.930  -0.045   1.305  0.00  0.00    +0.081 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.813   1.002   0.628  0.00  0.00    +0.165 C 
BRANCH  26  27
ATOM     27  O   LIG    1        4.668   1.587   1.612  0.00  0.00    -0.383 OA
ATOM     28  C   LIG    1        5.538   2.554   1.039  0.00  0.00    +0.194 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 6