REMARK  Name = BDB064226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.298  -1.080  -0.886  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.219  -2.360  -1.428  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.979  -2.718  -2.473  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.649  -3.302  -0.885  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.464  -2.956   0.196  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -1.433  -1.657   0.730  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -0.534  -0.725   0.184  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.788   0.572  -0.272  0.00  0.00    -0.288 N 
ATOM      9  C   LIG    1        4.308  -0.702   0.040  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1        4.756  -1.369   0.975  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        3.289  -1.337  -0.932  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1        2.527  -0.362  -1.714  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1        1.193  -0.055  -1.459  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1        0.709   1.052  -1.691  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        3.360   0.672  -2.306  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        4.046   1.450  -1.188  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.727   1.201   0.649  0.00  0.00    +0.196 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.790   2.294  -0.652  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        6.860   1.804  -0.070  0.00  0.00    -0.086 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1       -2.318  -1.298   1.909  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.004  -0.012   1.769  0.00  0.00    -0.289 N 
ATOM     22  C   LIG    1       -4.147   0.130   0.923  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -4.770   1.379   0.808  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -5.892   1.568  -0.010  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.411   0.498  -0.731  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.809  -0.752  -0.630  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.234   2.519   1.567  0.00  0.00    +0.262 A 
ATOM     28  O   LIG    1       -4.743   3.632   1.515  0.00  0.00    -0.267 OA
ATOM     29  N   LIG    1       -3.138   2.260   2.341  0.00  0.00    -0.274 N 
ATOM     30  H   LIG    1       -2.754   3.036   2.857  0.00  0.00    +0.173 HD
ATOM     31  C   LIG    1       -4.688  -0.936   0.189  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -2.492   1.066   2.477  0.00  0.00    +0.330 A 
ATOM     33  O   LIG    1       -1.501   1.001   3.204  0.00  0.00    -0.246 OA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5