REMARK  Name = BDB016519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.787  -1.436  -2.638  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        3.195  -0.339  -1.911  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.724  -0.548  -0.679  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.243   0.653  -0.277  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        1.765   0.844   1.108  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        1.124  -0.189   1.774  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        0.980   0.022   2.751  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        0.966  -1.561   1.325  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -0.149  -2.307   2.060  0.00  0.00    +0.045 C 
ATOM     10  C   LIG    1       -0.324  -3.683   1.469  0.00  0.00    -0.029 C 
ATOM     11  C   LIG    1       -1.369  -4.141   0.761  0.00  0.00    -0.029 C 
ATOM     12  C   LIG    1       -2.649  -3.409   0.451  0.00  0.00    +0.050 C 
ATOM     13  C   LIG    1       -2.589  -2.570  -0.832  0.00  0.00    +0.147 C 
ATOM     14  N   LIG    1       -2.758  -1.154  -0.553  0.00  0.00    -0.271 N 
ATOM     15  N   LIG    1       -3.953  -0.703  -0.125  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -3.696   0.558   0.232  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -2.352   0.930   0.004  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -1.629   2.143   0.340  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1       -0.477   2.382  -0.337  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        0.217   3.495   0.023  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        1.413   3.876  -0.777  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        2.176   2.976  -1.478  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        2.723   3.437  -2.194  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.671   5.078  -0.916  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1       -0.202   4.381   1.014  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -1.381   4.113   1.691  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.108   2.979   1.349  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -1.796  -0.187  -0.586  0.00  0.00    +0.118 A 
ATOM     29  O   LIG    1        1.941   1.897   1.725  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        2.427   1.627  -1.317  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        3.071   0.943  -2.328  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0