REMARK  Name = BDB047638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.464  -0.355  -0.291  0.00  0.00    +0.019 C 
ATOM      2  C   LIG    1        1.935  -0.305  -0.331  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        1.341  -1.282   0.651  0.00  0.00    +0.222 C 
ATOM      4  O   LIG    1        2.033  -2.115   1.245  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1       -0.000  -1.315   0.866  0.00  0.00    -0.284 N 
ATOM      6  H   LIG    1       -0.245  -2.095   1.464  0.00  0.00    +0.155 HD
ATOM      7  C   LIG    1       -1.066  -0.523   0.392  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -0.972   0.693  -0.316  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -2.173   1.276  -0.778  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -3.427   0.741  -0.482  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.511  -0.416   0.274  0.00  0.00    +0.002 A 
ATOM     12  N   LIG    1        0.203   1.350  -0.705  0.00  0.00    -0.342 N 
ATOM     13  H   LIG    1        0.045   2.346  -0.842  0.00  0.00    +0.146 HD
ATOM     14  C   LIG    1       -2.341  -1.041   0.702  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        1.437   1.084   0.012  0.00  0.00    +0.114 C 
ENDROOT
TORSDOF 0