REMARK  Name = BDB052733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.580  -1.139   0.291  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1        0.095  -2.445   0.716  0.00  0.00    +0.178 A 
ATOM      3  N   LIG    1       -1.247  -2.652   0.867  0.00  0.00    -0.302 N 
ATOM      4  C   LIG    1       -1.406  -3.953   1.259  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -0.127  -4.467   1.325  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1       -2.146  -1.637   0.626  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.663  -0.438   0.243  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        0.810  -3.519   0.983  0.00  0.00    -0.233 NA
ATOM      9  N   LIG    1       -0.304  -0.195   0.067  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -2.588   0.678  -0.052  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.723   0.946   0.713  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1       -4.596   1.958   0.474  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -4.313   2.763  -0.571  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -3.205   2.605  -1.385  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.334   1.550  -1.116  0.00  0.00    +0.013 A 
ENDBRANCH   7  10
BRANCH   1  16
ATOM     16  N   LIG    1        1.943  -0.980   0.138  0.00  0.00    -0.296 N 
ATOM     17  H   LIG    1        2.475  -1.821   0.341  0.00  0.00    +0.154 HD
BRANCH  16  21
ATOM     18  C   LIG    1        4.386   2.351  -0.766  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.026   2.543  -0.551  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.199   1.455  -0.244  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        2.715   0.159  -0.138  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        4.091  -0.011  -0.369  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        4.921   1.071  -0.677  0.00  0.00    +0.002 A 
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 3