REMARK  Name = BDB021317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.482   0.460   0.876  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.032  -0.586   1.698  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.391  -0.572   1.948  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.671  -1.669   2.731  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.457  -2.285   2.930  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -2.259   0.417   1.439  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.772   1.357   0.678  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.552  -1.611   2.292  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.421   1.348   0.407  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  16
ATOM     10  C   LIG    1        8.033  -0.009  -1.657  0.00  0.00    +0.105 C 
ATOM     11  N   LIG    1        6.584  -0.116  -1.497  0.00  0.00    -0.301 NA
ATOM     12  C   LIG    1        6.084   0.972  -0.636  0.00  0.00    +0.119 C 
ATOM     13  C   LIG    1        4.617   0.838  -0.279  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        3.962  -0.401  -0.373  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1        2.612  -0.508  -0.004  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.904   0.600   0.480  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        2.577   1.825   0.600  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        4.691  -1.598  -0.929  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        3.918   1.943   0.224  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        6.215  -1.417  -0.921  0.00  0.00    +0.089 C 
ENDBRANCH   1  16
BRANCH   5  21
ATOM     21  C   LIG    1       -0.207  -3.478   3.681  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -0.052  -4.449   4.300  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -3.599   0.347   1.769  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.830  -0.095   2.650  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.540   1.390   1.389  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.916   1.324  -0.065  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.314   0.154  -0.708  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.384  -1.242  -0.211  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.181  -1.875  -1.352  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -6.015  -1.073  -2.542  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -5.662   0.159  -2.055  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -5.636   1.306  -2.821  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -5.267   2.494  -2.195  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -4.921   2.496  -0.836  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.598   3.667  -0.267  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5