REMARK  Name = BDB005601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.893   1.408  -2.772  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -2.351   0.953  -1.768  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -3.134   0.332  -0.666  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -4.629   0.282  -0.843  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -5.365  -0.058   0.458  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -4.659  -1.188   1.197  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -3.263  -0.826   1.419  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -2.737  -1.554   1.895  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -2.529  -0.182   0.424  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -1.057  -0.069   0.560  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.325   0.500  -0.493  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        1.066   0.620  -0.432  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        1.765   0.185   0.702  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1        1.043  -0.364   1.767  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -0.351  -0.483   1.699  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -0.994   0.979  -1.623  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -0.478   1.403  -2.382  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        3.269   0.315   0.767  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.902  -0.567  -0.213  0.00  0.00    -0.304 NA
ATOM     20  H   LIG    1        3.534  -1.511  -0.093  0.00  0.00    +0.123 HD
BRANCH  19  21
ATOM     21  C   LIG    1        5.377  -0.602  -0.069  0.00  0.00    +0.195 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.180   0.714  -0.145  0.00  0.00    +0.402 C 
ATOM     23  F   LIG    1        5.905   1.413  -1.266  0.00  0.00    -0.169 F 
ATOM     24  F   LIG    1        7.508   0.454  -0.139  0.00  0.00    -0.169 F 
ATOM     25  F   LIG    1        5.923   1.508   0.920  0.00  0.00    -0.169 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 4