REMARK  Name = BDB009131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.740  -1.412   2.058  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -1.682  -2.639   1.381  0.00  0.00    +0.131 A 
ATOM      3  F   LIG    1       -2.787  -3.391   1.252  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.503  -3.103   0.801  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.658  -2.338   0.882  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        0.644  -1.113   1.556  0.00  0.00    -0.046 A 
ATOM      7  C   LIG    1       -0.550  -0.670   2.150  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -3.546   0.353   2.317  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -3.000  -0.907   2.639  0.00  0.00    -0.003 A 
ATOM     10  C   LIG    1       -3.705  -1.692   3.571  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -4.888  -1.236   4.164  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.393   0.022   3.844  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.722   0.821   2.923  0.00  0.00    +0.013 A 
BRANCH   8  15
ATOM     14  O   LIG    1       -2.254   2.211   1.773  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.899   1.258   1.343  0.00  0.00    +0.247 C 
ATOM     16  N   LIG    1       -3.068   0.982   0.004  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1       -3.900  -0.055  -0.589  0.00  0.00    +0.108 C 
ATOM     18  C   LIG    1       -3.957   0.313  -2.065  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -2.606   0.978  -2.299  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -2.388   1.762  -1.014  0.00  0.00    +0.108 C 
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1        1.879  -0.246   1.615  0.00  0.00    +0.041 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.841   0.925   0.630  0.00  0.00    +0.062 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.135   0.476  -0.796  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        3.551   0.439  -1.279  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        4.686   0.851  -0.383  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1        6.062   0.445  -0.919  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.175   0.726  -2.413  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        5.101  -0.031  -3.196  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        3.747   0.028  -2.544  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        2.592  -0.385  -3.380  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1        2.738  -0.794  -4.527  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        1.361  -0.280  -2.793  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1        0.558  -0.558  -3.345  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1        1.114   0.138  -1.524  0.00  0.00    -0.176 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5