REMARK  Name = BDB012205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.811   0.608   3.263  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.677   0.851   2.064  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.415   0.397   1.330  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -0.589   0.641  -0.100  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -1.795  -0.080  -0.687  0.00  0.00    +0.042 C 
ATOM      6  C   LIG    1       -3.063   0.215   0.127  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1       -2.834   0.104   1.649  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1       -1.440  -0.405   1.997  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -4.179  -0.612  -0.327  0.00  0.00    -0.263 N 
ATOM     10  C   LIG    1       -5.268  -0.155  -1.088  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -6.112  -1.223  -1.397  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -7.267  -1.042  -2.143  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -7.569   0.247  -2.584  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.721   1.322  -2.276  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.566  -2.497  -0.820  0.00  0.00    +0.350 C 
ATOM     16  F   LIG    1       -6.419  -3.076   0.073  0.00  0.00    -0.190 F 
ATOM     17  F   LIG    1       -5.319  -3.440  -1.775  0.00  0.00    -0.190 F 
ATOM     18  C   LIG    1       -5.558   1.127  -1.523  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -4.259  -2.008  -0.139  0.00  0.00    +0.294 C 
ATOM     20  O   LIG    1       -3.436  -2.694   0.454  0.00  0.00    -0.268 OA
ENDBRANCH   6   9
BRANCH   2  21
ATOM     21  C   LIG    1        1.704   1.683   1.304  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.871   2.167   2.172  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.830   1.055   2.606  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.579   0.399   1.466  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1        4.998  -0.884   1.711  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        4.778  -1.343   2.584  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        5.704  -1.633   0.806  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1        6.054  -2.783   1.041  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        6.011  -0.964  -0.469  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1        5.559   0.349  -0.630  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1        5.839   1.007  -1.829  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        6.554   0.364  -2.844  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        6.997  -0.948  -2.668  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        6.726  -1.619  -1.476  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1        4.836   1.028   0.365  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 5