REMARK  Name = BDB053872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.289  -1.589   2.591  0.00  0.00    -0.164 OA
ATOM      2  N   LIG    1        1.403  -1.089   1.821  0.00  0.00    -0.137 N 
ATOM      3  C   LIG    1        1.724  -0.485   0.603  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        0.726   0.051  -0.225  0.00  0.00    +0.099 A 
ATOM      5  C   LIG    1       -0.626  -0.024   0.183  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.618   0.526  -0.675  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1       -1.222   1.116  -1.879  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        0.118   1.143  -2.190  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1       -0.931  -0.635   1.412  0.00  0.00    +0.032 A 
ATOM     10  N   LIG    1        1.073   0.625  -1.396  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1        0.081  -1.153   2.207  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        3.150  -0.443   0.236  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        3.743  -1.484  -0.504  0.00  0.00    +0.052 A 
ATOM     14 CL   LIG    1        2.827  -2.857  -1.034  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1        5.100  -1.447  -0.847  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        5.891  -0.370  -0.458  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        5.326   0.672   0.273  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        3.970   0.636   0.617  0.00  0.00    +0.052 A 
ATOM     19 CL   LIG    1        3.344   1.977   1.521  0.00  0.00    -0.083 Cl
ENDBRANCH   3  12
BRANCH   6  20
ATOM     20  C   LIG    1       -3.057   0.496  -0.352  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.691   1.506   0.402  0.00  0.00    +0.051 A 
ATOM     22 CL   LIG    1       -2.811   2.864   1.016  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -5.057   1.441   0.682  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -5.799   0.367   0.210  0.00  0.00    +0.125 A 
ATOM     25  F   LIG    1       -7.109   0.303   0.479  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -5.205  -0.642  -0.537  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -3.840  -0.578  -0.819  0.00  0.00    +0.013 A 
ENDBRANCH   6  20
TORSDOF 2