REMARK  Name = BDB057053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.690  -0.404   0.855  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.487   0.799   0.777  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -0.229   1.359   0.922  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -0.081   2.198   0.382  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1       -2.425   1.785   0.557  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -2.121   2.718   0.788  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.945   0.510   1.119  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1        2.094   1.320   1.739  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        3.480   0.834   1.298  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        3.474  -0.611   1.132  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1        2.598  -1.066   0.049  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        1.393  -0.146  -0.186  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1        4.798  -1.244   1.139  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.750  -0.846   0.030  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        5.841  -1.610  -1.144  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        6.721  -1.246  -2.165  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.526  -0.118  -2.023  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        7.454   0.646  -0.860  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.573   0.282   0.161  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  20
ATOM     20  C   LIG    1       -3.796   1.622   0.268  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -4.387   0.389  -0.032  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -5.760   0.295  -0.324  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -6.534   1.464  -0.316  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -5.948   2.696  -0.025  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.587   2.775   0.264  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  N   LIG    1       -6.356  -0.972  -0.625  0.00  0.00    -0.323 N 
ATOM     27  C   LIG    1       -5.729  -2.207  -0.621  0.00  0.00    +0.091 A 
ATOM     28  C   LIG    1       -6.635  -3.186  -0.966  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1       -7.868  -2.550  -1.193  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1       -7.676  -1.202  -0.978  0.00  0.00    +0.091 A 
ENDBRANCH  22  26
ENDBRANCH   5  20
TORSDOF 5