REMARK  Name = BDB045685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.778  -0.295  -0.259  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        0.701  -0.084  -1.032  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1       -0.400  -0.843  -0.819  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -1.543  -0.580  -1.716  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.892  -0.668  -1.301  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -3.278  -0.948   0.124  0.00  0.00    +0.076 C 
ATOM      7  N   LIG    1       -2.751  -1.866   0.868  0.00  0.00    -0.278 NA
ATOM      8  C   LIG    1       -1.649  -2.669   0.359  0.00  0.00    +0.181 C 
ATOM      9  C   LIG    1       -3.938  -0.490  -2.227  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -3.654  -0.180  -3.553  0.00  0.00    +0.042 A 
ATOM     11 CL   LIG    1       -4.941   0.045  -4.672  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -2.339  -0.052  -3.977  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -1.297  -0.254  -3.067  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -0.433  -1.834   0.140  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        0.715  -1.976   0.881  0.00  0.00    +0.122 A 
ATOM     16  N   LIG    1        1.820  -1.231   0.696  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   6  17
ATOM     17  C   LIG    1       -4.362  -0.126   0.745  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -4.466   1.248   0.512  0.00  0.00    +0.133 A 
ATOM     19  F   LIG    1       -3.586   1.885  -0.274  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -5.480   1.996   1.106  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -6.397   1.373   1.952  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -6.292   0.005   2.208  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.274  -0.743   1.611  0.00  0.00    +0.013 A 
ENDBRANCH   6  17
BRANCH   1  24
ATOM     24  N   LIG    1        2.863   0.533  -0.533  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1        2.596   1.181  -1.260  0.00  0.00    +0.155 HD
BRANCH  24  29
ATOM     26  C   LIG    1        6.746   1.094   1.048  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1        6.280   1.866  -0.019  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        4.990   1.662  -0.522  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        4.134   0.692   0.026  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1        4.621  -0.075   1.090  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        5.911   0.121   1.601  0.00  0.00    +0.017 A 
BRANCH  26  33
ATOM     32  O   LIG    1        8.899   2.167   1.117  0.00  0.00    -0.245 OA
ATOM     33  C   LIG    1        8.118   1.340   1.551  0.00  0.00    +0.337 C 
BRANCH  33  34
ATOM     34  O   LIG    1        8.451   0.537   2.577  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        9.366   0.809   2.801  0.00  0.00    +0.295 HD
ENDBRANCH  33  34
ENDBRANCH  26  33
ENDBRANCH  24  29
ENDBRANCH   1  24
TORSDOF 5