REMARK  Name = BDB020213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.715   1.658   1.844  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        2.958   0.643   0.847  0.00  0.00    -0.335 N 
ATOM      3  C   LIG    1        1.972   0.010   0.133  0.00  0.00    +0.141 A 
ATOM      4  C   LIG    1        2.590  -0.900  -0.718  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        1.764  -1.671  -1.547  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.386  -1.464  -1.457  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -0.123  -0.512  -0.566  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        3.989  -0.795  -0.497  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1        0.650   0.244   0.253  0.00  0.00    -0.233 NA
ATOM     10  C   LIG    1        4.188   0.166   0.474  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.627  -0.309  -0.482  0.00  0.00    +0.124 C 
ATOM     12  C   LIG    1       -2.284  -1.354   0.412  0.00  0.00    +0.228 C 
ATOM     13  O   LIG    1       -1.952  -2.538   0.434  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1       -3.377  -0.944   1.141  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1       -3.823  -1.662   1.695  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1       -4.101   0.209   0.977  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -5.207   0.344   1.493  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -3.509   1.248   0.057  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1       -1.997   1.106  -0.013  0.00  0.00    +0.028 C 
ENDBRANCH   7  11
TORSDOF 1