REMARK  Name = BDB042810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.273  -3.075  -1.202  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.435  -2.207  -0.990  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.771  -0.996  -0.230  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.772  -0.056   0.002  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.024   1.108   0.740  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -1.041   2.092   0.932  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1       -1.229   2.687   1.739  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.329   1.576   0.908  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1        0.614   0.790  -0.377  0.00  0.00    +0.090 C 
ATOM     10  C   LIG    1       -3.334   1.341   1.171  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.332   0.396   0.933  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.574   0.630   1.376  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.436  -0.304  -0.567  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -0.156  -1.371  -1.257  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -4.064  -0.779   0.245  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -1.137  -2.301  -1.434  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -0.889  -3.120  -1.981  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.051   0.291  -0.369  0.00  0.00    -0.002 A 
ATOM     19  C   LIG    1        3.020   0.956  -1.134  0.00  0.00    +0.130 A 
ATOM     20  F   LIG    1        2.672   2.023  -1.867  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        4.349   0.551  -1.140  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1        4.722  -0.536  -0.365  0.00  0.00    +0.126 A 
ATOM     23  F   LIG    1        6.000  -0.936  -0.361  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        3.791  -1.215   0.414  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        2.457  -0.801   0.417  0.00  0.00    +0.010 A 
ENDBRANCH   9  18
TORSDOF 1