REMARK  Name = BDB042744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.168   1.091  -0.097  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.443  -0.172   0.573  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -0.391  -1.412   0.233  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -1.823  -1.211  -0.034  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.614  -2.332  -0.265  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -1.975  -3.655  -0.273  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1       -0.625  -3.674  -0.018  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -0.167  -4.580  -0.003  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1       -2.624  -4.671  -0.493  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -3.986  -2.196  -0.469  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -4.543  -0.926  -0.417  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.862  -0.777  -0.586  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.754   0.202  -0.186  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -2.369   0.077  -0.030  0.00  0.00    +0.040 A 
ATOM     15  N   LIG    1        0.159  -2.592   0.252  0.00  0.00    -0.175 NA
ATOM     16  N   LIG    1       -1.597   1.213   0.259  0.00  0.00    -0.339 N 
ATOM     17  H   LIG    1       -2.030   2.060  -0.107  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        1.909  -0.378   0.227  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        2.337  -0.559  -1.094  0.00  0.00    +0.133 A 
ATOM     20  F   LIG    1        1.445  -0.527  -2.094  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.676  -0.767  -1.405  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1        4.608  -0.799  -0.378  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1        5.900  -0.997  -0.667  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        4.223  -0.625   0.944  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        2.878  -0.419   1.234  0.00  0.00    +0.133 A 
ATOM     26  F   LIG    1        2.521  -0.243   2.514  0.00  0.00    -0.205 F 
ENDBRANCH   2  18
BRANCH   1  28
ATOM     27  C   LIG    1        0.474   2.775   1.766  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1        0.574   2.412   0.281  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        0.099   3.595  -0.574  0.00  0.00    +0.009 C 
ENDBRANCH   1  28
TORSDOF 2