REMARK  Name = BDB051872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.263  -0.948   2.383  0.00  0.00    -0.285 OA
ATOM      2  C   LIG    1        1.547  -0.473   1.307  0.00  0.00    +0.211 C 
ATOM      3  C   LIG    1        2.920  -0.227   0.839  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        2.823   0.407  -0.403  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        3.967   0.778  -1.079  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        5.206   0.467  -0.501  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        5.285  -0.189   0.744  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        1.492   0.676  -0.747  0.00  0.00    -0.309 N 
ATOM      9  H   LIG    1        1.223   0.591  -1.720  0.00  0.00    +0.152 HD
ATOM     10  C   LIG    1        4.126  -0.542   1.435  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        0.662   0.040   0.188  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -0.665  -0.107   0.067  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -1.595  -0.870   0.989  0.00  0.00    +0.211 C 
ATOM     14  O   LIG    1       -1.355  -1.634   1.896  0.00  0.00    -0.285 OA
ATOM     15  C   LIG    1       -2.947  -0.530   0.519  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -2.798   0.306  -0.591  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -3.912   0.774  -1.257  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -5.174   0.416  -0.764  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.306  -0.413   0.368  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -4.177  -0.902   1.025  0.00  0.00    +0.013 A 
ATOM     21  N   LIG    1       -1.452   0.470  -0.941  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -1.152   1.376  -1.283  0.00  0.00    +0.152 HD
ENDROOT
TORSDOF 0