REMARK  Name = BDB051836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.481   0.870   0.408  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.070   2.170   0.681  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.088   2.412   1.311  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.852   3.249   0.285  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.068   3.026  -0.365  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.531   1.719  -0.602  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.714   0.641  -0.219  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.252  -1.108   1.574  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.688  -0.291   0.846  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        0.621  -0.446   0.407  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1        1.377  -1.582   0.927  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1        2.784  -1.732   0.310  0.00  0.00    +0.103 C 
ATOM     13  N   LIG    1        3.523  -0.458   0.308  0.00  0.00    -0.296 NA
ATOM     14  C   LIG    1        2.747   0.605  -0.376  0.00  0.00    +0.103 C 
ATOM     15  C   LIG    1        1.264   0.289  -0.677  0.00  0.00    +0.123 C 
BRANCH  13  16
ATOM     16  C   LIG    1        4.919  -0.553  -0.172  0.00  0.00    +0.057 C 
ATOM     17  C   LIG    1        5.713  -1.674   0.548  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        7.235  -1.514   0.487  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1        7.678  -0.677  -0.701  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1        7.077   0.725  -0.645  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        5.687   0.774   0.000  0.00  0.00    +0.019 C 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -4.855   1.516  -1.317  0.00  0.00    +0.090 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.647   0.298  -0.898  0.00  0.00    +0.046 A 
ATOM     24  N   LIG    1       -6.363   0.217   0.324  0.00  0.00    -0.296 N 
ATOM     25  C   LIG    1       -7.033  -0.964   0.659  0.00  0.00    +0.114 A 
ATOM     26  C   LIG    1       -7.615  -0.828   1.903  0.00  0.00    +0.054 A 
ATOM     27  C   LIG    1       -7.342   0.476   2.348  0.00  0.00    +0.078 A 
ATOM     28 CL   LIG    1       -7.886   1.115   3.825  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -7.051  -2.100  -0.229  0.00  0.00    +0.273 A 
ATOM     30  O   LIG    1       -7.630  -3.157   0.001  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.358  -1.912  -1.405  0.00  0.00    -0.326 N 
ATOM     32  H   LIG    1       -6.361  -2.706  -2.034  0.00  0.00    +0.168 HD
ATOM     33  C   LIG    1       -6.605   1.097   1.368  0.00  0.00    +0.133 A 
ATOM     34 CL   LIG    1       -6.078   2.722   1.367  0.00  0.00    -0.062 Cl
ATOM     35  C   LIG    1       -5.679  -0.766  -1.730  0.00  0.00    +0.108 A 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4