REMARK  Name = BDB054533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.095  -0.643   0.211  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -1.094  -1.438  -0.680  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1       -1.075  -2.926  -0.282  0.00  0.00    +0.095 C 
ATOM      4  N   LIG    1       -2.406  -3.546  -0.327  0.00  0.00    -0.315 NA
ATOM      5  H   LIG    1       -2.761  -3.533  -1.284  0.00  0.00    +0.122 HD
ATOM      6  C   LIG    1       -3.332  -2.845   0.560  0.00  0.00    +0.084 C 
ATOM      7  C   LIG    1       -3.466  -1.367   0.188  0.00  0.00    +0.055 C 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -2.212   0.824  -0.235  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -2.954   1.190  -1.373  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.025   2.523  -1.779  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -3.750   2.836  -2.862  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -2.354   3.512  -1.078  0.00  0.00    +0.158 A 
ATOM     13  F   LIG    1       -2.426   4.791  -1.472  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1       -1.595   3.182   0.035  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -1.521   1.848   0.450  0.00  0.00    +0.009 A 
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        0.293  -0.878  -0.654  0.00  0.00    +0.145 A 
ATOM     17  O   LIG    1        0.799  -0.471  -1.848  0.00  0.00    -0.359 OA
ATOM     18  N   LIG    1        2.073   0.026  -1.666  0.00  0.00    -0.078 NA
ATOM     19  C   LIG    1        2.328  -0.061  -0.351  0.00  0.00    +0.115 A 
ATOM     20  C   LIG    1        1.234  -0.661   0.323  0.00  0.00    +0.076 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.601   0.389   0.203  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        3.696   1.231   1.325  0.00  0.00    +0.053 A 
ATOM     23 CL   LIG    1        2.310   1.876   2.138  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        4.948   1.616   1.817  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1        6.102   1.167   1.186  0.00  0.00    +0.125 A 
ATOM     26  F   LIG    1        7.298   1.539   1.660  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        6.035   0.345   0.070  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        4.788  -0.042  -0.422  0.00  0.00    +0.014 A 
ENDBRANCH  19  21
ENDBRANCH   2  16
BRANCH   1  29
ATOM     29  O   LIG    1       -1.664  -0.682   1.586  0.00  0.00    -0.383 OA
ATOM     30  H   LIG    1       -2.283  -0.133   2.099  0.00  0.00    +0.211 HD
ENDBRANCH   1  29
TORSDOF 4