REMARK  Name = BDB009113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.808   1.754  -1.484  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.006   2.892  -0.689  0.00  0.00    +0.131 A 
ATOM      3  F   LIG    1        2.247   3.281  -0.359  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.062   3.658  -0.227  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.368   3.294  -0.547  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.614   2.154  -1.321  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.521   1.405  -1.795  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        4.003  -0.292  -1.585  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        2.948   0.498  -1.112  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        1.936   0.943  -1.979  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        2.031   0.587  -3.338  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        3.099  -0.179  -3.816  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.089  -0.615  -2.941  0.00  0.00    +0.013 A 
BRANCH   8  15
ATOM     14  O   LIG    1        6.246  -0.542  -1.005  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        5.081  -0.753  -0.679  0.00  0.00    +0.247 C 
ATOM     16  N   LIG    1        4.732  -1.422   0.480  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1        5.762  -1.895   1.389  0.00  0.00    +0.108 C 
ATOM     18  C   LIG    1        4.990  -2.508   2.547  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        3.740  -3.049   1.865  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        3.431  -1.979   0.825  0.00  0.00    +0.108 C 
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   6  21
ATOM     21  C   LIG    1       -3.026   1.753  -1.690  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.973   1.671  -0.495  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.017   0.422   0.329  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -3.123  -0.745   0.015  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -3.083  -1.800   1.126  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.475  -2.069   1.682  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.097  -0.789   2.244  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -4.893   0.403   1.349  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -5.731   1.594   1.635  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -6.526   1.618   2.569  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -5.560   2.661   0.795  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -6.127   3.484   0.970  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -4.707   2.719  -0.262  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 4