REMARK  Name = BDB016502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.817  -0.996   1.216  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -3.468  -1.004   0.644  0.00  0.00    -0.302 NA
ATOM      3  C   LIG    1       -3.466  -0.455  -0.729  0.00  0.00    +0.107 C 
ATOM      4  C   LIG    1       -3.520   1.077  -0.805  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1       -2.362   1.788  -0.295  0.00  0.00    -0.270 N 
ATOM      6  C   LIG    1       -1.037   1.487  -0.470  0.00  0.00    +0.118 A 
ATOM      7  C   LIG    1       -0.326   2.560   0.024  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -1.318   3.457   0.471  0.00  0.00    +0.144 A 
ATOM      9  C   LIG    1        1.112   2.719  -0.025  0.00  0.00    +0.075 A 
ATOM     10  N   LIG    1        1.871   1.722   0.489  0.00  0.00    -0.242 NA
ATOM     11  C   LIG    1        3.213   1.928   0.517  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.822   3.070  -0.002  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        3.025   4.061  -0.558  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        4.096   0.936   1.219  0.00  0.00    +0.267 C 
ATOM     15  O   LIG    1        5.279   1.208   1.442  0.00  0.00    -0.268 OA
ATOM     16  N   LIG    1        3.604  -0.278   1.670  0.00  0.00    -0.277 N 
ATOM     17  H   LIG    1        4.416  -0.744   2.062  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        2.935  -1.112   0.783  0.00  0.00    +0.084 A 
ATOM     19  C   LIG    1        1.573  -1.544   0.794  0.00  0.00    +0.168 A 
ATOM     20  N   LIG    1        1.367  -2.419  -0.219  0.00  0.00    -0.165 NA
ATOM     21  N   LIG    1        2.558  -2.524  -0.828  0.00  0.00    -0.272 N 
ATOM     22  C   LIG    1        2.691  -3.394  -1.972  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1        0.535  -1.137   1.766  0.00  0.00    +0.266 C 
ATOM     24  O   LIG    1        0.790  -0.449   2.758  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1       -0.771  -1.535   1.604  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1       -1.405  -1.048   2.226  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -1.367  -2.360   0.568  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        3.540  -1.783  -0.252  0.00  0.00    +0.132 A 
ATOM     29  C   LIG    1        1.647   3.891  -0.559  0.00  0.00    +0.028 A 
ATOM     30  N   LIG    1       -2.556   3.010   0.250  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -2.904  -2.371   0.678  0.00  0.00    +0.103 C 
ENDROOT
TORSDOF 0