REMARK  Name = BDB016521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.909  -1.262  -2.340  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        3.331  -0.273  -1.462  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.698  -0.670  -0.353  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.295   0.477   0.244  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        1.698   0.453   1.592  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        0.864  -0.581   1.969  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1        0.634  -0.541   2.951  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        0.567  -1.792   1.237  0.00  0.00    +0.131 C 
ATOM      9  C   LIG    1       -0.752  -2.328   1.706  0.00  0.00    -0.013 C 
ATOM     10  C   LIG    1       -1.600  -3.088   0.990  0.00  0.00    -0.029 C 
ATOM     11  C   LIG    1       -1.393  -3.635  -0.395  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -2.516  -3.284  -1.380  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.369  -1.916  -2.051  0.00  0.00    +0.144 C 
ATOM     14  N   LIG    1       -2.534  -0.785  -1.165  0.00  0.00    -0.271 N 
ATOM     15  N   LIG    1       -3.717  -0.568  -0.561  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -3.475   0.492   0.216  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -2.156   0.983   0.083  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -1.452   2.058   0.759  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1       -0.232   2.385   0.262  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        0.463   3.347   0.922  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        1.768   3.787   0.353  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        2.552   2.984  -0.442  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        3.210   3.526  -0.986  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        2.112   4.965   0.504  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1       -0.027   4.021   2.037  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -1.280   3.675   2.523  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.005   2.679   1.877  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -1.594   0.156  -0.868  0.00  0.00    +0.118 A 
ATOM     29  O   LIG    1        1.935   1.328   2.429  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        2.675   1.611  -0.550  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        3.369   1.074  -1.615  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0