REMARK  Name = BDB033062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.423  -0.453   1.797  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.569   0.117   0.954  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.737  -0.556   1.472  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -2.411  -1.724   2.136  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -3.188  -2.549   2.590  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.911  -1.857   2.152  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        0.881   1.793   0.778  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        1.466   0.717   0.735  0.00  0.00    +0.263 C 
ATOM      9  N   LIG    1        0.874  -0.474   1.137  0.00  0.00    -0.305 N 
ATOM     10  H   LIG    1        1.508  -1.227   1.382  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        2.884   0.613   0.259  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1        3.716   1.609   0.648  0.00  0.00    -0.242 NA
ATOM     13  C   LIG    1        4.996   1.554   0.247  0.00  0.00    +0.072 A 
ATOM     14  C   LIG    1        5.495   0.502  -0.552  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.846   0.491  -0.944  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        7.702   1.516  -0.548  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        7.215   2.554   0.239  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.609  -0.512  -0.937  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        5.871   2.563   0.626  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        3.281  -0.460  -0.529  0.00  0.00    +0.033 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -4.087  -0.201   1.074  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.410  -0.646  -0.340  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -4.538   0.260  -1.419  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -4.825  -0.244  -2.704  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -4.986  -1.612  -2.922  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.866  -2.501  -1.861  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.582  -2.022  -0.582  0.00  0.00    +0.006 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.393   1.754  -1.235  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1       -3.179   2.105  -0.732  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.533   2.465  -2.389  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -5.319   2.264  -0.376  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5