REMARK  Name = BDB045745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.778   2.489  -0.086  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.272   1.067  -0.151  0.00  0.00    -0.042 A 
ATOM      3  C   LIG    1       -1.448  -0.089  -0.047  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -2.127  -1.332   0.051  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -1.383  -2.578   0.371  0.00  0.00    +0.257 A 
ATOM      6  N   LIG    1       -0.037  -2.472   0.584  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1        0.431  -3.342   0.803  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        0.697  -1.303   0.376  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        2.090  -1.390   0.478  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        2.905  -0.288   0.177  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1        2.298   0.903  -0.231  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        0.894   0.943  -0.369  0.00  0.00    +0.033 A 
ATOM     13  O   LIG    1       -1.946  -3.664   0.467  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -3.521  -1.445  -0.080  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -4.292  -0.315  -0.282  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.047  -0.116   0.003  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -3.673   0.928  -0.303  0.00  0.00    +0.004 A 
ENDROOT
BRANCH  10  18
ATOM     18  C   LIG    1        4.399  -0.458   0.247  0.00  0.00    +0.419 C 
ATOM     19  F   LIG    1        4.927  -0.971  -0.899  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.786  -1.309   1.242  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        5.075   0.704   0.487  0.00  0.00    -0.166 F 
ENDBRANCH  10  18
BRANCH  11  22
ATOM     22  N   LIG    1        3.041   1.986  -0.724  0.00  0.00    -0.358 N 
ATOM     23  H   LIG    1        3.981   2.081  -0.339  0.00  0.00    +0.142 HD
ATOM     24  H   LIG    1        2.550   2.876  -0.722  0.00  0.00    +0.142 HD
ENDBRANCH  11  22
TORSDOF 2