REMARK  Name = BDB021333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.449  -0.586  -0.134  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.818  -0.393   1.125  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.437  -0.432   1.139  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.041  -0.200   2.437  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.210  -0.047   3.147  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.337  -0.660  -0.018  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.263  -0.825  -1.166  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.306  -0.168   2.330  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.641  -0.782  -1.196  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.027   1.948   0.005  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        4.678   0.618  -0.292  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1        3.913  -0.572  -0.348  0.00  0.00    -0.009 A 
ATOM     13  C   LIG    1        4.550  -1.801  -0.601  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        5.928  -1.868  -0.785  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.691  -0.707  -0.708  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        6.080   0.530  -0.455  0.00  0.00    +0.055 A 
BRANCH  16  17
ATOM     17  C   LIG    1        6.926   1.688  -0.366  0.00  0.00    +0.099 C 
ATOM     18  N   LIG    1        7.615   2.621  -0.303  0.00  0.00    -0.191 NA
ENDBRANCH  16  17
ENDBRANCH   1  12
BRANCH   5  19
ATOM     19  C   LIG    1        1.341   0.215   4.548  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1        1.405   0.426   5.689  0.00  0.00    -0.189 NA
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  N   LIG    1       -1.710  -0.695   0.101  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.090  -0.926   1.012  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.545  -1.160  -0.993  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.983  -0.860  -0.684  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.499   0.432  -0.731  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.824   1.720  -1.020  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.055   2.612  -1.181  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.169   2.010  -0.483  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.826   0.685  -0.406  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.694  -0.316  -0.021  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.202  -1.620   0.027  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.864  -1.879  -0.300  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.421  -3.143  -0.221  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6