REMARK  Name = BDB051113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.676   0.962  -0.855  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.719   2.131  -1.608  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.773   2.957  -1.549  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.347   2.475  -2.433  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.475   1.654  -2.493  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.556   0.490  -1.711  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.463   0.145  -0.900  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.516   0.263   1.198  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.783   0.580   0.042  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        3.054   0.571  -0.478  0.00  0.00    -0.292 N 
ATOM     11  C   LIG    1        4.232  -0.030   0.077  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1        4.256  -1.424   0.678  0.00  0.00    +0.026 C 
ATOM     13  C   LIG    1        5.410  -0.921   1.582  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        4.951   0.529   1.286  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1        4.913   0.138  -1.268  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1        3.518   0.424  -1.854  0.00  0.00    +0.111 C 
ENDBRANCH   1   9
BRANCH   6  17
ATOM     17  C   LIG    1       -2.782  -0.392  -1.803  0.00  0.00    +0.093 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.224  -0.997  -0.477  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.904  -0.151   0.538  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -4.277  -0.768   1.731  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -4.920  -0.040   2.740  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -5.191   1.314   2.552  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.821   1.937   1.361  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.990  -2.199   1.921  0.00  0.00    +0.272 A 
ATOM     25  O   LIG    1       -4.311  -2.785   2.949  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -3.352  -2.830   0.882  0.00  0.00    -0.242 N 
ATOM     27  H   LIG    1       -3.140  -3.816   0.999  0.00  0.00    +0.192 HD
ATOM     28  C   LIG    1       -4.179   1.209   0.353  0.00  0.00    +0.010 A 
ATOM     29  N   LIG    1       -2.974  -2.260  -0.293  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 3