REMARK  Name = BDB009333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.859   0.435   2.458  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.739  -0.910   2.787  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.461  -1.457   3.029  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.871  -1.714   2.875  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.134  -1.165   2.637  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.272   0.193   2.306  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.122   0.997   2.239  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.425   2.197   3.227  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.329   1.299   2.394  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.257   1.084   1.382  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.448   1.934   1.329  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.684   1.198   0.777  0.00  0.00    +0.128 C 
ATOM     13  N   LIG    1        3.407   0.353  -0.398  0.00  0.00    -0.282 N 
ATOM     14  C   LIG    1        4.024  -0.888  -0.531  0.00  0.00    +0.305 C 
ATOM     15  N   LIG    1        5.370  -0.960  -0.184  0.00  0.00    -0.281 N 
ATOM     16  C   LIG    1        6.289   0.122  -0.561  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1        7.735  -0.364  -0.733  0.00  0.00    +0.179 C 
ATOM     18  O   LIG    1        7.849  -1.466  -1.641  0.00  0.00    -0.377 OA
ATOM     19  C   LIG    1        6.818  -2.458  -1.483  0.00  0.00    +0.179 C 
ATOM     20  C   LIG    1        5.989  -2.288  -0.206  0.00  0.00    +0.137 C 
ATOM     21  O   LIG    1        3.407  -1.871  -0.943  0.00  0.00    -0.252 OA
ATOM     22  C   LIG    1        2.036   0.454  -0.904  0.00  0.00    +0.128 C 
ATOM     23  C   LIG    1        1.026   0.201   0.225  0.00  0.00    +0.127 C 
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -4.640   0.791   2.065  0.00  0.00    +0.092 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.761   1.484   0.710  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -4.913   0.665  -0.534  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -5.024  -0.833  -0.470  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1       -5.514  -1.462  -1.779  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.814  -0.840  -2.980  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -5.066   0.668  -3.040  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -4.952   1.337  -1.698  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1       -4.882   2.821  -1.705  0.00  0.00    +0.268 A 
ATOM     33  O   LIG    1       -4.926   3.465  -2.748  0.00  0.00    -0.266 OA
ATOM     34  N   LIG    1       -4.772   3.420  -0.480  0.00  0.00    -0.243 N 
ATOM     35  H   LIG    1       -4.724   4.433  -0.461  0.00  0.00    +0.192 HD
ATOM     36  N   LIG    1       -4.699   2.782   0.718  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 3