REMARK  Name = BDB046972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.521   2.983  -0.245  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -0.270   1.720  -0.197  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -1.687   1.618  -0.044  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -2.033   0.260  -0.063  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -3.381  -0.154   0.036  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.863  -1.557  -0.012  0.00  0.00    +0.246 C 
ATOM      7  N   LIG    1       -3.033  -2.609   0.262  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1       -3.523  -3.496   0.275  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -1.692  -2.547   0.794  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -0.726  -1.887  -0.173  0.00  0.00    +0.141 C 
ATOM     11  O   LIG    1       -5.037  -1.801  -0.284  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -4.365   0.849   0.158  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -4.035   2.197   0.197  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -0.844  -0.437  -0.191  0.00  0.00    -0.337 N 
ATOM     15  C   LIG    1       -2.703   2.589   0.098  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        0.227   0.430  -0.306  0.00  0.00    +0.053 A 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1        1.613   0.004  -0.499  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        2.535   0.116   0.547  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        3.868  -0.291   0.376  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        4.268  -0.798  -0.870  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.353  -0.906  -1.918  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.030  -0.505  -1.734  0.00  0.00    +0.010 A 
BRANCH  19  23
ATOM     23  C   LIG    1        4.854  -0.146   1.508  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        4.320  -0.474   2.717  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        5.315   1.129   1.635  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        5.958  -0.931   1.366  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH  16  17
TORSDOF 2