REMARK  Name = BDB017221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.310   0.909   0.195  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.797   1.677   1.024  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1        5.365   0.007   0.580  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        3.966   0.236   0.493  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        3.289  -0.067  -0.714  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        1.901   0.152  -0.819  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        1.167   0.662   0.257  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        1.833   0.971   1.446  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        4.011  -0.583  -1.799  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.383  -0.803  -1.703  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.209   0.758   1.561  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.058  -0.510  -0.519  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.355   0.116   1.905  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        5.954   0.323   1.781  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  C   LIG    1       -1.155   0.208  -0.877  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -1.195  -1.332  -0.712  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1       -1.417  -1.810   0.729  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1       -2.264  -1.891  -1.661  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -3.661  -1.309  -1.416  0.00  0.00    +0.084 C 
ATOM     20  N   LIG    1       -3.654  -0.067  -0.642  0.00  0.00    -0.301 NA
ATOM     21  C   LIG    1       -2.566   0.836  -1.035  0.00  0.00    +0.096 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.963   0.591  -0.649  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.383   1.090   0.707  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.442   1.329   1.868  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.037   2.497   1.138  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  15
TORSDOF 5