REMARK  Name = BDB062311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.884   3.695  -2.516  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.236   2.659  -1.557  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1       -0.220   1.833  -0.995  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.569   0.841  -0.067  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.444   0.025   0.480  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.792   0.174   0.133  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.118   1.161  -0.794  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.982   0.659   0.328  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -2.245  -0.316   1.296  0.00  0.00    -0.332 N 
ATOM     10  H   LIG    1       -2.570   0.154   2.148  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -3.171  -1.437   1.002  0.00  0.00    +0.140 C 
ATOM     12  C   LIG    1       -4.619  -0.938   0.917  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1       -4.825   0.075  -0.203  0.00  0.00    +0.231 C 
ATOM     14  O   LIG    1       -4.265   1.344   0.136  0.00  0.00    -0.485 OA
ATOM     15  C   LIG    1       -2.927   1.444  -0.225  0.00  0.00    +0.207 A 
ATOM     16  C   LIG    1        1.130   1.983  -1.348  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -2.578   2.506  -1.224  0.00  0.00    +0.295 A 
ATOM     18  O   LIG    1       -3.478   3.184  -1.721  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  19
ATOM     19  C   LIG    1       -3.062  -2.533   2.082  0.00  0.00    +0.361 C 
ATOM     20  F   LIG    1       -3.345  -2.015   3.306  0.00  0.00    -0.207 F 
ATOM     21  F   LIG    1       -1.795  -3.019   2.144  0.00  0.00    -0.207 F 
ENDBRANCH  11  19
BRANCH   6  22
ATOM     22  N   LIG    1        2.740  -0.704   0.690  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        2.454  -1.066   1.599  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.992  -1.159   0.218  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        5.026  -1.509   1.107  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        6.244  -1.905   0.571  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        7.596  -2.362   1.537  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        6.510  -1.978  -0.753  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        5.512  -1.639  -1.587  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        4.262  -1.226  -1.156  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        4.834  -1.454   2.521  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        4.630  -1.411   3.663  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 4