REMARK  Name = BDB042785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.059  -0.595  -3.127  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.752  -0.595  -1.760  0.00  0.00    +0.078 C 
ATOM      3  C   LIG    1        0.075   0.285  -0.670  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1        0.922   0.108   0.608  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        2.385   0.065   0.429  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.199   0.127   1.554  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.564   0.098   2.876  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        1.193   0.014   2.881  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        0.733   0.007   3.787  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        3.232   0.134   3.903  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        4.586   0.193   1.418  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        5.129   0.194   0.140  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        6.458   0.265  -0.010  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        4.318   0.103  -0.991  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        2.930   0.008  -0.855  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.381   0.071   1.788  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        2.138  -0.149  -1.997  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        2.216   0.656  -2.619  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.464   0.027  -0.546  0.00  0.00    +0.067 C 
ATOM     20  N   LIG    1       -2.281   1.207  -0.153  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -1.968   1.776   1.154  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -3.721   0.915  -0.271  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1       -4.168  -0.340   0.481  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -3.346  -1.554   0.064  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -1.851  -1.270   0.195  0.00  0.00    +0.019 C 
ENDBRANCH   3  19
TORSDOF 1