REMARK  Name = BDB016501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.134  -2.884   2.475  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        3.762  -1.727   1.698  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.894  -1.862   0.696  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.731  -0.614   0.191  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        1.867  -0.419  -0.990  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        0.689  -1.145  -1.124  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        0.262  -0.985  -2.026  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        0.273  -2.317  -0.369  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1       -1.232  -2.563  -0.303  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -1.988  -1.444   0.412  0.00  0.00    +0.089 C 
ATOM     11  N   LIG    1       -3.194  -1.197  -0.404  0.00  0.00    -0.300 NA
ATOM     12  C   LIG    1       -4.336  -0.759   0.409  0.00  0.00    +0.107 C 
ATOM     13  C   LIG    1       -4.460   0.770   0.578  0.00  0.00    +0.159 C 
ATOM     14  N   LIG    1       -3.208   1.472   0.767  0.00  0.00    -0.270 N 
ATOM     15  N   LIG    1       -2.645   1.585   1.988  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -1.429   2.081   1.718  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -1.239   2.351   0.344  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -0.070   2.790  -0.393  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1        1.133   2.492   0.159  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        2.223   2.864  -0.564  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        3.559   2.712   0.052  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        3.951   1.642   0.811  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        4.791   1.878   1.325  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        4.354   3.654  -0.052  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1        2.164   3.544  -1.780  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        0.921   3.837  -2.317  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -0.213   3.456  -1.613  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -2.441   2.000  -0.233  0.00  0.00    +0.118 A 
ATOM     29  C   LIG    1       -3.414  -2.406  -1.192  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1       -1.990  -2.757  -1.608  0.00  0.00    +0.021 C 
ATOM     31  O   LIG    1        2.170   0.351  -1.903  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1        3.591   0.309   0.885  0.00  0.00    +0.084 A 
ATOM     33  C   LIG    1        4.223  -0.464   1.842  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0