REMARK  Name = BDB017174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.539  -0.915  -0.589  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1       -0.234  -1.844  -1.337  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.982  -0.738  -0.218  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -2.889  -1.726  -0.644  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -4.251  -1.601  -0.318  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -5.423  -2.351  -0.554  0.00  0.00    +0.143 A 
ATOM      7  N   LIG    1       -6.511  -1.791  -0.019  0.00  0.00    -0.179 NA
ATOM      8  N   LIG    1       -6.035  -0.675   0.568  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1       -6.945   0.206   1.259  0.00  0.00    +0.173 C 
ATOM     10  C   LIG    1       -4.679  -0.501   0.420  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1       -3.800   0.499   0.853  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -2.445   0.360   0.519  0.00  0.00    +0.013 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     13  N   LIG    1        2.922   0.387   0.260  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1        1.888  -0.625  -0.003  0.00  0.00    +0.095 C 
ATOM     15  C   LIG    1        0.507   0.058  -0.050  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1        0.526   1.354  -0.879  0.00  0.00    +0.014 C 
ATOM     17  C   LIG    1        1.789   1.460  -1.726  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1        3.060   1.315  -0.877  0.00  0.00    +0.084 C 
BRANCH  13  19
ATOM     19  C   LIG    1        4.200  -0.242   0.627  0.00  0.00    +0.084 C 
BRANCH  19  21
ATOM     20  C   LIG    1        6.510   0.083   1.586  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        5.236   0.775   1.124  0.00  0.00    +0.012 C 
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  15
TORSDOF 4