REMARK  Name = BDB000231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.075  -0.036  -0.641  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        1.292   1.020  -1.125  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -0.076   1.067  -0.857  0.00  0.00    +0.145 A 
ATOM      4  F   LIG    1       -0.781   2.104  -1.337  0.00  0.00    -0.204 F 
ATOM      5  C   LIG    1       -0.719   0.076  -0.106  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        0.055  -0.975   0.382  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.432  -1.029   0.117  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        5.825  -0.355  -0.123  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        4.448  -0.289   0.124  0.00  0.00    +0.054 A 
ATOM     10  C   LIG    1        3.520  -0.103  -0.916  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        4.016   0.015  -2.223  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.387  -0.052  -2.479  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        6.291  -0.234  -1.431  0.00  0.00    +0.045 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.003  -0.607   0.797  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        6.596  -0.541   0.992  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   5  16
ATOM     16  N   LIG    1       -2.112   0.216   0.105  0.00  0.00    -0.279 N 
ATOM     17  H   LIG    1       -2.518   1.034  -0.352  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -2.939  -0.622   0.805  0.00  0.00    +0.245 C 
ATOM     19  O   LIG    1       -2.582  -1.644   1.387  0.00  0.00    -0.270 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -4.385  -0.237   0.903  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -5.192  -1.034   1.901  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -6.634  -0.726   1.526  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1       -6.585   0.608   0.798  0.00  0.00    +0.043 C 
ATOM     24  C   LIG    1       -5.172   0.672   0.296  0.00  0.00    +0.044 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.809   1.655  -0.728  0.00  0.00    +0.333 C 
ATOM     26  O   LIG    1       -3.688   1.891  -1.132  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -5.872   2.325  -1.197  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -5.495   2.941  -1.861  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  18  20
ENDBRANCH   5  16
TORSDOF 6