REMARK  Name = BDB009110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.228  -1.662   0.410  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.432  -0.831   1.211  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.757  -1.302   1.795  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.124  -2.637   1.595  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.334  -3.471   0.805  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.835  -2.985   0.213  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.182  -2.797  -1.533  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.287  -1.692  -1.015  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        2.398  -1.096  -0.138  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        2.558  -0.123   0.088  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.465  -0.854  -1.378  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        5.084  -0.007  -0.449  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        6.190   0.759  -0.830  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        6.680   0.672  -2.134  0.00  0.00    +0.013 A 
ATOM     15  I   LIG    1        8.325   1.813  -2.695  0.00  0.00    -0.044 I 
ATOM     16  C   LIG    1        6.080  -0.181  -3.059  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        4.976  -0.949  -2.679  0.00  0.00    +0.014 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1       -1.605  -0.398   2.660  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.938   0.937   2.000  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -2.950   0.989   0.897  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.681  -0.249   0.456  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -4.899   0.048  -0.425  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.574   1.107  -1.471  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.121   2.410  -0.809  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -3.167   2.190   0.333  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -2.443   3.388   0.828  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -2.629   4.501   0.349  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -1.561   3.173   1.851  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -1.061   3.981   2.208  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -1.291   1.977   2.438  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4