REMARK  Name = BDB047658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.453  -2.255   1.869  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        1.216  -1.380   0.741  0.00  0.00    -0.343 N 
ATOM      3  C   LIG    1        0.192  -0.454   0.675  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.334   0.215  -0.553  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.579   1.244  -0.860  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -0.682   2.137  -2.061  0.00  0.00    +0.141 C 
ATOM      7  N   LIG    1       -1.812   2.973  -1.744  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1       -2.182   3.712  -2.325  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -2.374   2.679  -0.521  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1       -3.328   3.231  -0.012  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.595   1.572   0.046  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -1.744   0.906   1.234  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -2.744   1.141   2.318  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.632  -0.166   3.111  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -1.192  -0.665   2.933  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        1.452  -0.357  -1.234  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        2.063  -0.114  -2.484  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        3.170  -0.870  -2.878  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.675  -1.862  -2.048  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.092  -2.123  -0.805  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -0.848  -0.123   1.569  0.00  0.00    -0.019 A 
ATOM     22  C   LIG    1        1.980  -1.356  -0.412  0.00  0.00    +0.050 A 
ENDROOT
TORSDOF 0