REMARK  Name = BDB047616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.832   0.219   0.249  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1       -2.330   0.175   0.165  0.00  0.00    -0.033 A 
ATOM      3  C   LIG    1       -1.614  -0.985  -0.237  0.00  0.00    -0.023 A 
ATOM      4  C   LIG    1       -2.345  -2.251  -0.604  0.00  0.00    +0.046 C 
ATOM      5  C   LIG    1       -0.190  -0.902  -0.278  0.00  0.00    +0.051 A 
ATOM      6  N   LIG    1        0.736  -1.863  -0.626  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1        0.508  -2.803  -0.913  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        2.019  -1.385  -0.534  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        1.936  -0.060  -0.110  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        3.143   0.652   0.060  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        4.368   0.024  -0.197  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.410  -1.300  -0.620  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        3.234  -2.031  -0.797  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        0.544   0.247   0.053  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -0.207   1.357   0.441  0.00  0.00    +0.062 A 
ATOM     16  C   LIG    1        0.208   2.698   0.847  0.00  0.00    +0.260 A 
ATOM     17  N   LIG    1       -0.932   3.387   1.119  0.00  0.00    -0.289 N 
ATOM     18  H   LIG    1       -0.944   4.347   1.424  0.00  0.00    +0.172 HD
ATOM     19  C   LIG    1       -2.049   2.639   0.934  0.00  0.00    +0.260 A 
ATOM     20  O   LIG    1       -3.200   2.992   1.100  0.00  0.00    -0.267 OA
ATOM     21  O   LIG    1        1.339   3.129   0.930  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1       -1.597   1.311   0.491  0.00  0.00    +0.056 A 
ENDROOT
TORSDOF 0