REMARK  Name = BDB052816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.888   3.685   1.112  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -2.076   2.541   0.329  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -1.082   1.534   0.339  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.097   1.691   1.069  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.918   0.558   0.813  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        0.191  -0.320   0.013  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        0.269   2.851   1.852  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1       -0.987   0.324  -0.351  0.00  0.00    -0.312 N 
ATOM      9  C   LIG    1       -0.729   3.830   1.868  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.240   0.312   1.375  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        3.320   0.416   0.501  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.227   0.939  -0.868  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.529   0.731  -1.660  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.721   1.315  -1.027  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        6.549   0.816  -1.350  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        5.653   1.278   0.444  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        4.674   0.245   1.030  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.372   0.035   2.563  0.00  0.00    -0.270 OA
ENDBRANCH   5  10
BRANCH   8  19
ATOM     19  C   LIG    1       -1.936  -0.133  -1.304  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.289  -0.212  -0.959  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.217  -0.652  -1.903  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.797  -1.001  -3.187  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.449  -0.913  -3.533  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.512  -0.481  -2.592  0.00  0.00    +0.026 A 
ENDBRANCH   8  19
BRANCH   1  26
ATOM     25  C   LIG    1       -3.983   4.628   0.490  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -2.763   4.734   1.212  0.00  0.00    -0.495 OA
ENDBRANCH   1  26
BRANCH   6  27
ATOM     27  C   LIG    1        0.542  -1.742  -0.351  0.00  0.00    +0.090 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.463  -2.788   0.106  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -0.708  -3.082   1.467  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1        0.015  -2.393   2.589  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -1.684  -4.037   1.787  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1       -1.956  -4.314   3.072  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -2.390  -4.725   0.806  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -2.128  -4.467  -0.532  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -1.171  -3.511  -0.876  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 5