REMARK  Name = BDB054813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.224  -0.356  -1.146  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.230  -0.713  -2.490  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.684  -1.561  -2.981  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.178  -0.173  -3.352  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.138   0.715  -2.861  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.168   1.057  -1.498  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.192   0.520  -0.642  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.342  -1.747   0.602  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.761  -0.941  -0.225  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.089  -0.530  -0.298  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        3.084  -1.306   0.444  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.240  -0.443   0.960  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        4.794   0.427  -0.082  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1        6.103   0.893  -0.073  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        6.493   1.834  -0.756  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        3.803   1.206  -0.826  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        2.638   0.350  -1.339  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1        7.069   0.199   0.822  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1        7.586  -1.179   0.468  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        8.502   0.003   0.374  0.00  0.00    +0.013 C 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1       -3.207   2.029  -0.985  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.850   1.619   0.334  0.00  0.00    +0.087 A 
ATOM     23  C   LIG    1       -4.798   0.450   0.358  0.00  0.00    +0.059 A 
ATOM     24  N   LIG    1       -5.125  -0.258  -0.789  0.00  0.00    -0.342 N 
ATOM     25  H   LIG    1       -4.944   0.203  -1.674  0.00  0.00    +0.146 HD
ATOM     26  C   LIG    1       -6.222  -1.215  -0.795  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -6.221  -1.992   0.519  0.00  0.00    +0.023 C 
ATOM     28  C   LIG    1       -6.239  -1.044   1.726  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -5.305   0.123   1.557  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -4.957   0.910   2.760  0.00  0.00    +0.270 A 
ATOM     31  O   LIG    1       -5.429   0.649   3.862  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -4.088   1.951   2.567  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -3.835   2.499   3.383  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -3.527   2.318   1.383  0.00  0.00    -0.174 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 4