REMARK  Name = BDB033041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.016  -1.024   0.769  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.917   0.177   0.596  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.059  -0.167   1.415  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.691  -1.026   2.440  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -2.360  -1.323   3.416  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.277  -1.487   2.196  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.883  -0.228  -0.631  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        1.432  -0.745   0.569  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.088  -1.321   1.081  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.134   0.150  -1.524  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        6.564   0.146   1.219  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        5.625  -0.024   0.061  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        4.238  -0.057   0.271  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        3.360  -0.181  -0.816  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        3.869  -0.236  -2.117  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        5.247  -0.190  -2.332  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.119  -0.083  -1.248  0.00  0.00    +0.003 A 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1       -3.233   0.677   1.513  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.847   0.997   0.168  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1       -4.404  -0.003  -0.665  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1       -4.939   0.372  -1.913  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -4.936   1.703  -2.328  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.396   2.684  -1.504  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.855   2.335  -0.268  0.00  0.00    +0.006 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -4.421  -1.467  -0.272  0.00  0.00    +0.418 C 
ATOM     26  F   LIG    1       -3.197  -2.058  -0.359  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -4.865  -1.680   0.996  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -5.239  -2.220  -1.066  0.00  0.00    -0.166 F 
ENDBRANCH  20  25
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5