REMARK  Name = BDB047582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.729  -0.995   1.223  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.594  -1.434   2.535  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.209  -2.463   2.841  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.289  -0.801   3.559  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.143   0.265   3.264  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.322   0.696   1.938  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.595   0.062   0.918  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.721  -2.264  -0.698  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.022  -1.674   0.124  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.371  -1.590   0.054  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        2.155  -0.695   0.910  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1        3.606  -0.376   0.494  0.00  0.00    +0.103 C 
ATOM     13  N   LIG    1        3.710   0.334  -0.790  0.00  0.00    -0.301 NA
ATOM     14  C   LIG    1        3.701  -0.567  -1.949  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        2.388  -1.317  -2.177  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        2.038  -2.274  -1.046  0.00  0.00    +0.109 C 
BRANCH  13  17
ATOM     17  C   LIG    1        4.852   1.262  -0.824  0.00  0.00    +0.088 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.204   0.618  -0.706  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1        7.392   1.458  -0.304  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        6.869   0.405   0.632  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1       -3.242   1.861   1.645  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.065   1.709   0.373  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -5.222   0.777   0.340  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -5.928   0.684  -0.858  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -7.030  -0.172  -0.972  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -7.428  -0.940   0.122  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.726  -0.850   1.323  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.505   1.499  -2.007  0.00  0.00    +0.272 A 
ATOM     29  O   LIG    1       -6.103   1.458  -3.077  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -4.412   2.306  -1.806  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1       -4.101   2.870  -2.591  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1       -5.626   0.006   1.437  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1       -3.701   2.421  -0.653  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5