REMARK  Name = BDB063389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.921   0.549  -0.021  0.00  0.00    +0.285 C 
ATOM      2  N   LIG    1       -3.594   0.084  -0.048  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -2.641   0.384   1.027  0.00  0.00    +0.108 C 
ATOM      4  C   LIG    1       -1.522  -0.650   1.117  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1       -0.872  -0.845  -0.258  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        0.389  -1.737  -0.235  0.00  0.00    +0.113 C 
ATOM      7  N   LIG    1        1.160  -0.523  -0.116  0.00  0.00    -0.325 N 
ATOM      8  C   LIG    1        0.109   0.264  -0.711  0.00  0.00    +0.113 C 
ATOM      9  C   LIG    1       -1.919  -1.266  -1.286  0.00  0.00    +0.029 C 
ATOM     10  C   LIG    1       -3.020  -0.214  -1.360  0.00  0.00    +0.108 C 
ATOM     11  O   LIG    1       -5.614   0.553  -1.045  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.515  -0.403  -0.430  0.00  0.00    +0.102 C 
ATOM     13  C   LIG    1        3.354   0.032   0.753  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        2.835   0.261   1.843  0.00  0.00    -0.284 OA
ATOM     15  C   LIG    1        4.816   0.181   0.573  0.00  0.00    +0.123 A 
ATOM     16  C   LIG    1        5.402  -0.051  -0.651  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        6.788   0.106  -0.769  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        7.532   0.488   0.343  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        6.862   0.700   1.535  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        4.596  -0.451  -1.804  0.00  0.00    +0.208 C 
ATOM     21  O   LIG    1        5.148  -0.637  -2.883  0.00  0.00    -0.286 OA
ATOM     22  N   LIG    1        5.527   0.556   1.673  0.00  0.00    -0.251 NA
ATOM     23  C   LIG    1        3.131  -0.615  -1.609  0.00  0.00    +0.113 C 
ATOM     24 CL   LIG    1        2.270  -1.101  -3.039  0.00  0.00    -0.078 Cl
ENDBRANCH   7  12
BRANCH   1  26
ATOM     25  C   LIG    1       -6.943   1.465   1.229  0.00  0.00    +0.095 C 
ATOM     26  C   LIG    1       -5.489   1.046   1.331  0.00  0.00    +0.320 C 
ATOM     27  F   LIG    1       -5.399   0.083   2.299  0.00  0.00    -0.196 F 
ATOM     28  F   LIG    1       -4.780   2.116   1.806  0.00  0.00    -0.196 F 
ENDBRANCH   1  26
TORSDOF 2