REMARK  Name = BDB000083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.573  -2.740  -1.347  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.301  -1.879  -0.886  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1       -0.896  -0.607  -0.178  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1        0.414  -0.376   0.001  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.043   0.855   0.631  0.00  0.00    +0.210 C 
ATOM      6  O   LIG    1        0.524   1.816   1.157  0.00  0.00    -0.285 OA
ATOM      7  C   LIG    1        2.497   0.673   0.471  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        2.683  -0.553  -0.175  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        3.957  -1.009  -0.432  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        5.038  -0.195  -0.066  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.832   1.048   0.565  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.540   1.497   0.846  0.00  0.00    +0.013 A 
ATOM     13  N   LIG    1        1.472  -1.195  -0.382  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        1.314  -1.982  -1.003  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1       -2.140   0.107   0.147  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -3.182  -0.704  -0.330  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -4.519  -0.374  -0.212  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -4.828   0.830   0.418  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.805   1.658   0.905  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -2.456   1.299   0.772  0.00  0.00    +0.010 A 
ATOM     21  N   LIG    1       -2.681  -1.856  -0.925  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -3.230  -2.588  -1.349  0.00  0.00    +0.155 HD
ENDROOT
TORSDOF 0