REMARK  Name = BDB053221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.037  -0.390   0.787  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -2.047   0.145  -0.052  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -3.399  -0.005   0.335  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -4.483   0.551  -0.520  0.00  0.00    +0.257 A 
ATOM      5  N   LIG    1       -4.085   1.190  -1.670  0.00  0.00    -0.329 N 
ATOM      6  H   LIG    1       -4.835   1.560  -2.243  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1       -2.785   1.330  -2.061  0.00  0.00    +0.086 A 
ATOM      8  O   LIG    1       -5.667   0.450  -0.221  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -3.754  -0.668   1.513  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.760  -1.190   2.328  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.778   0.848  -1.324  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.417  -1.048   1.968  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1        1.436  -1.615   1.973  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        1.435  -0.795   1.064  0.00  0.00    +0.248 C 
ATOM     15  N   LIG    1        0.333  -0.232   0.444  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1        0.529   0.294  -0.393  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     17  C   LIG    1        2.747  -0.367   0.500  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.778  -1.311   0.414  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        5.018  -0.945  -0.112  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.234   0.364  -0.542  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.216   1.313  -0.440  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.973   0.952   0.085  0.00  0.00    +0.013 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
TORSDOF 2