REMARK  Name = BDB009472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.292   1.772  -0.648  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.404   2.783  -1.595  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.232   3.953  -1.440  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.154   2.578  -2.749  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.807   1.359  -2.948  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.727   0.337  -1.986  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.950   0.550  -0.836  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1        5.648  -1.033   2.785  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        5.453  -0.614   1.641  0.00  0.00    +0.267 C 
ATOM     10  N   LIG    1        4.225  -0.033   1.302  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1        3.266   0.234   2.376  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        2.346   1.417   2.056  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        1.637   1.253   0.786  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1        0.489   2.009   0.576  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        0.066   2.839   1.376  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        2.261   0.372  -0.209  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        3.789   0.282  -0.062  0.00  0.00    +0.127 C 
BRANCH   9  18
ATOM     18  C   LIG    1        6.534  -0.724   0.631  0.00  0.00    +0.147 A 
ATOM     19  N   LIG    1        6.566  -0.079  -0.553  0.00  0.00    -0.169 NA
ATOM     20  N   LIG    1        7.735  -0.437  -1.105  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        7.975  -0.054  -2.015  0.00  0.00    +0.188 HD
ATOM     22  C   LIG    1        8.466  -1.289  -0.338  0.00  0.00    +0.105 A 
ATOM     23  C   LIG    1        7.725  -1.490   0.799  0.00  0.00    +0.054 A 
ENDBRANCH   9  18
ENDBRANCH   1  14
BRANCH   6  24
ATOM     24  C   LIG    1       -2.426  -0.982  -2.229  0.00  0.00    +0.094 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.091  -1.578  -0.996  0.00  0.00    +0.087 A 
ATOM     26  C   LIG    1       -4.329  -0.927  -0.441  0.00  0.00    +0.059 A 
ATOM     27  N   LIG    1       -4.891   0.202  -1.019  0.00  0.00    -0.342 N 
ATOM     28  H   LIG    1       -4.614   0.416  -1.972  0.00  0.00    +0.146 HD
ATOM     29  C   LIG    1       -6.210   0.674  -0.626  0.00  0.00    +0.102 C 
ATOM     30  C   LIG    1       -6.374   0.517   0.883  0.00  0.00    +0.023 C 
ATOM     31  C   LIG    1       -6.074  -0.920   1.330  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -4.855  -1.491   0.657  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -4.242  -2.702   1.246  0.00  0.00    +0.270 A 
ATOM     34  O   LIG    1       -4.721  -3.256   2.231  0.00  0.00    -0.266 OA
ATOM     35  N   LIG    1       -3.116  -3.170   0.623  0.00  0.00    -0.243 N 
ATOM     36  H   LIG    1       -2.682  -3.999   1.015  0.00  0.00    +0.192 HD
ATOM     37  N   LIG    1       -2.530  -2.634  -0.482  0.00  0.00    -0.174 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4