REMARK  Name = BDB016792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.185  -0.633  -0.037  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.039   0.060   0.504  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.074  -0.917   0.120  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.584  -1.977  -0.565  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1       -1.563  -2.844  -0.900  0.00  0.00    -0.218 NA
ATOM      6  C   LIG    1       -2.686  -2.299  -0.425  0.00  0.00    +0.198 A 
ATOM      7  N   LIG    1       -2.417  -1.106   0.248  0.00  0.00    -0.319 N 
ATOM      8  C   LIG    1        0.845  -1.855  -0.710  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        1.574  -2.655  -1.274  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     10  C   LIG    1        4.162   2.686   2.171  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        3.984   1.508   1.247  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1        5.088   0.897   0.575  0.00  0.00    +0.164 A 
ATOM     13  N   LIG    1        4.834  -0.189  -0.241  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        6.066  -0.561  -0.734  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1        6.991   0.245  -0.250  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1        6.284  -1.695  -1.659  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1        3.564  -0.713  -0.455  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        2.488  -0.164   0.146  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1        6.376   1.161   0.572  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1        2.752   0.983   1.033  0.00  0.00    +0.032 A 
ENDBRANCH   1  18
BRANCH   2  21
ATOM     21  C   LIG    1       -0.291   1.430  -0.105  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -0.188   1.656  -1.490  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.445   2.920  -2.028  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.811   3.968  -1.190  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -1.132   5.522  -1.853  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.924   3.765   0.183  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.668   2.503   0.723  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  28
ATOM     28  C   LIG    1       -3.978  -2.907  -0.613  0.00  0.00    +0.264 A 
ATOM     29  O   LIG    1       -5.143  -2.194  -0.787  0.00  0.00    -0.441 OA
ATOM     30  C   LIG    1       -6.108  -3.136  -0.965  0.00  0.00    +0.217 A 
ATOM     31  C   LIG    1       -5.514  -4.367  -0.887  0.00  0.00    +0.153 A 
ATOM     32  N   LIG    1       -4.172  -4.216  -0.660  0.00  0.00    -0.215 NA
ENDBRANCH   6  28
BRANCH   7  33
ATOM     33  C   LIG    1       -3.302  -0.233   1.012  0.00  0.00    +0.083 C 
ATOM     34  C   LIG    1       -4.122   0.703   0.126  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1       -4.151  -0.956   2.058  0.00  0.00    +0.030 C 
ENDBRANCH   7  33
TORSDOF 4