REMARK  Name = BDB016520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.015  -0.957  -2.305  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        3.384  -0.063  -1.365  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.726  -0.571  -0.317  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.274   0.510   0.364  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        1.635   0.354   1.683  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        0.816  -0.728   1.940  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1        0.554  -0.779   2.913  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        0.574  -1.876   1.095  0.00  0.00    +0.131 C 
ATOM      9  C   LIG    1       -0.745  -2.481   1.469  0.00  0.00    -0.013 C 
ATOM     10  C   LIG    1       -1.550  -3.195   0.662  0.00  0.00    -0.029 C 
ATOM     11  C   LIG    1       -1.284  -3.613  -0.758  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -2.383  -3.203  -1.747  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.250  -1.778  -2.291  0.00  0.00    +0.144 C 
ATOM     14  N   LIG    1       -2.472  -0.733  -1.315  0.00  0.00    -0.271 N 
ATOM     15  N   LIG    1       -3.680  -0.597  -0.736  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -3.490   0.396   0.139  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -2.180   0.926   0.094  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -1.526   1.953   0.885  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1       -0.300   2.350   0.461  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        0.348   3.267   1.226  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        1.659   3.785   0.743  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        2.488   3.073  -0.091  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        3.150   3.676  -0.564  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.967   4.952   1.008  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1       -0.195   3.829   2.378  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -1.454   3.413   2.789  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.131   2.460   2.034  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -1.567   0.199  -0.905  0.00  0.00    +0.118 A 
ATOM     29  O   LIG    1        1.822   1.157   2.600  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        2.651   1.718  -0.315  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        3.392   1.292  -1.398  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0