REMARK  Name = BDB063038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.540  -2.942   1.182  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -2.576  -2.264   0.834  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -2.548  -0.938   1.130  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1       -3.409  -0.709   1.610  0.00  0.00    +0.150 HD
ATOM      5  C   LIG    1       -1.961   0.158   0.327  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1       -2.263   1.467   1.137  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1       -3.749   1.839   1.205  0.00  0.00    +0.002 C 
ATOM      8  C   LIG    1       -4.388   1.878  -0.177  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1       -4.172   0.575  -0.936  0.00  0.00    +0.002 C 
ATOM     10  C   LIG    1       -2.686   0.230  -1.049  0.00  0.00    +0.030 C 
ATOM     11  C   LIG    1       -0.427   0.052   0.088  0.00  0.00    -0.021 A 
ATOM     12  C   LIG    1        0.380  -1.076   0.352  0.00  0.00    -0.041 A 
ATOM     13  C   LIG    1        1.782  -1.008   0.140  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.421   0.123  -0.383  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1        1.613   1.211  -0.705  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -0.137  -2.403   0.854  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        0.232   1.171  -0.481  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1       -1.394  -2.851   0.133  0.00  0.00    +0.100 C 
ENDROOT
BRANCH  14  19
ATOM     19  C   LIG    1        3.878   0.159  -0.594  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        4.556  -0.861  -1.281  0.00  0.00    +0.131 A 
ATOM     21  F   LIG    1        3.879  -1.907  -1.780  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        5.936  -0.823  -1.480  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        6.678   0.247  -0.988  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        6.035   1.273  -0.300  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.650   1.230  -0.105  0.00  0.00    +0.011 A 
ENDBRANCH  14  19
TORSDOF 1