REMARK  Name = BDB042766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.540  -1.232  -2.311  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.597   0.257  -1.954  0.00  0.00    +0.078 C 
ATOM      3  C   LIG    1       -0.014   0.643  -0.582  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1        0.905   0.172   0.554  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        2.353   0.123   0.273  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.221  -0.186   1.315  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.654  -0.503   2.631  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        1.285  -0.449   2.725  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        0.873  -0.647   3.632  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        3.372  -0.803   3.578  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        4.600  -0.190   1.110  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        5.085   0.134  -0.149  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        6.407   0.157  -0.360  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        4.221   0.437  -1.200  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        2.835   0.396  -1.012  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.425  -0.092   1.732  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        1.981   0.742  -2.063  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        2.391   0.602  -2.985  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.533   0.267  -0.507  0.00  0.00    +0.067 C 
ATOM     20  N   LIG    1       -2.396   1.361   0.017  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -2.105   1.747   1.398  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -3.822   1.039  -0.158  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1       -4.240  -0.310   0.430  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -3.355  -1.438  -0.088  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -1.878  -1.104   0.117  0.00  0.00    +0.019 C 
ENDBRANCH   3  19
TORSDOF 1