REMARK  Name = BDB033039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.362   0.067  -0.972  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.585  -0.785  -0.129  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.463  -1.376  -1.108  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.912  -1.364  -2.378  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        1.396  -1.862  -3.382  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.428  -0.678  -2.306  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.521   1.249  -0.797  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1       -1.668   0.262  -0.367  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -1.976  -0.417   0.330  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.230   2.033  -1.695  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -4.151   1.078   1.178  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -3.869   1.340  -0.169  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -4.914   1.787  -0.994  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -6.210   1.940  -0.494  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.481   1.654   0.842  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.455   1.225   1.681  0.00  0.00    +0.016 A 
BRANCH  11  18
ATOM     17  O   LIG    1       -2.569  -0.442   2.046  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1       -3.118   0.643   2.127  0.00  0.00    +0.338 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.861   1.570   3.068  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -3.334   2.418   2.952  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  11  18
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        2.675  -2.088  -0.754  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.778  -1.139  -0.336  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        4.249  -1.046   0.994  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        5.274  -0.127   1.292  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        5.822   0.687   0.300  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.358   0.596  -1.007  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.345  -0.309  -1.322  0.00  0.00    +0.006 A 
BRANCH  23  28
ATOM     28  C   LIG    1        3.691  -1.911   2.101  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1        3.900  -3.238   1.881  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        4.229  -1.652   3.326  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        2.345  -1.763   2.254  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7