REMARK  Name = BDB016517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.112   0.601   3.299  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        2.829   0.073   1.986  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.425  -1.199   1.864  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.239  -1.370   0.540  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        1.638  -2.612   0.019  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        0.813  -2.421  -1.081  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        0.607  -1.461  -1.337  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -0.111  -3.450  -1.514  0.00  0.00    +0.105 C 
ATOM      9  C   LIG    1       -1.393  -3.493  -0.670  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -2.191  -2.192  -0.777  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1       -3.498  -2.232  -0.035  0.00  0.00    -0.029 C 
ATOM     12  C   LIG    1       -3.823  -1.578   1.095  0.00  0.00    -0.008 C 
ATOM     13  C   LIG    1       -2.946  -0.732   1.982  0.00  0.00    +0.170 C 
ATOM     14  N   LIG    1       -2.570   0.552   1.403  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -3.458   1.564   1.279  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -2.776   2.493   0.596  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -1.444   2.109   0.332  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -0.372   2.709  -0.435  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1        0.543   1.828  -0.896  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        1.575   2.300  -1.635  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        2.506   1.262  -2.187  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        2.585   0.038  -1.544  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        2.869  -0.745  -2.123  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        3.071   1.450  -3.262  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1        1.718   3.638  -1.965  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        0.765   4.534  -1.484  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -0.300   4.067  -0.708  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -1.327   0.881   0.948  0.00  0.00    +0.118 A 
ATOM     29  O   LIG    1        1.788  -3.712   0.544  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        2.572  -0.173  -0.172  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        2.920   0.736   0.801  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0