REMARK  Name = BDB016669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.792  -3.914   0.095  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.010  -2.727  -0.080  0.00  0.00    +0.228 C 
ATOM      3  C   LIG    1       -1.123  -1.597   0.392  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1        0.380  -1.789   0.414  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1       -0.401  -1.664   1.707  0.00  0.00    +0.031 C 
ATOM      6  C   LIG    1       -1.848  -0.356  -0.048  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -3.014  -0.760  -0.721  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.926   0.123  -1.262  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.657   1.484  -1.116  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.504   1.919  -0.439  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -1.597   0.999   0.102  0.00  0.00    +0.006 A 
ATOM     12  N   LIG    1       -3.087  -2.155  -0.732  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -3.831  -2.699  -1.138  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1        1.340  -0.706  -0.022  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1        2.258  -0.139   0.883  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        3.128   0.857   0.423  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        3.138   1.308  -0.892  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        4.148   2.298  -0.910  0.00  0.00    +0.131 A 
ATOM     19  N   LIG    1        4.733   2.468   0.279  0.00  0.00    -0.167 NA
ATOM     20  I   LIG    1        4.708   3.408  -2.574  0.00  0.00    -0.019 I 
ATOM     21  C   LIG    1        2.239   0.733  -1.807  0.00  0.00    +0.013 A 
ATOM     22  N   LIG    1        4.102   1.578   1.063  0.00  0.00    -0.276 N 
ATOM     23  H   LIG    1        4.381   1.512   2.035  0.00  0.00    +0.189 HD
ATOM     24  C   LIG    1        1.362  -0.266  -1.357  0.00  0.00    +0.005 A 
ENDBRANCH   4  14
TORSDOF 1