REMARK  Name = BDB009438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.487   2.060   0.317  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.865   3.377   0.088  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.389   4.375   0.846  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.722   3.683  -0.965  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.213   2.660  -1.781  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.861   1.320  -1.542  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.978   1.028  -0.490  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        5.657  -0.008   0.238  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1        4.463   0.558   0.635  0.00  0.00    -0.264 N 
ATOM     10  C   LIG    1        3.880   1.651  -0.139  0.00  0.00    +0.130 C 
ATOM     11  C   LIG    1        2.348   1.574  -0.182  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        1.738   1.454   1.151  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        0.408   1.744   1.438  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.075   1.711   2.566  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.623   1.065   2.252  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.717   0.088   1.805  0.00  0.00    +0.130 C 
ATOM     17  O   LIG    1        6.307   0.378  -0.726  0.00  0.00    -0.226 OA
BRANCH   8  18
ATOM     18  O   LIG    1        6.017  -1.048   1.037  0.00  0.00    -0.451 OA
BRANCH  18  20
ATOM     19  C   LIG    1        6.960  -2.833  -0.292  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        7.240  -1.716   0.695  0.00  0.00    +0.230 C 
ENDBRANCH  18  20
ENDBRANCH   8  18
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  C   LIG    1       -2.393   0.226  -2.442  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.863  -1.018  -1.699  0.00  0.00    +0.087 A 
ATOM     23  C   LIG    1       -4.122  -0.953  -0.876  0.00  0.00    +0.059 A 
ATOM     24  N   LIG    1       -4.888   0.202  -0.793  0.00  0.00    -0.342 N 
ATOM     25  H   LIG    1       -4.759   0.879  -1.538  0.00  0.00    +0.146 HD
ATOM     26  C   LIG    1       -6.220   0.179  -0.202  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -6.214  -0.737   1.020  0.00  0.00    +0.023 C 
ATOM     28  C   LIG    1       -5.675  -2.131   0.667  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -4.458  -2.072  -0.216  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -3.637  -3.295  -0.346  0.00  0.00    +0.270 A 
ATOM     31  O   LIG    1       -3.938  -4.340   0.221  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -2.528  -3.194  -1.145  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -1.953  -4.024  -1.246  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -2.123  -2.082  -1.817  0.00  0.00    -0.174 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5