REMARK  Name = BDB017204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.295  -3.090   0.348  0.00  0.00    -0.291 OA
ATOM      2  C   LIG    1        1.095  -1.943  -0.062  0.00  0.00    +0.174 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.190  -0.971  -0.111  0.00  0.00    +0.056 A 
ATOM      4  S   LIG    1        1.992   0.652  -0.594  0.00  0.00    -0.085 S 
ATOM      5  C   LIG    1        3.653   1.029  -0.361  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        4.365  -0.083   0.089  0.00  0.00    -0.010 A 
ATOM      7  C   LIG    1        5.752   0.062   0.332  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        6.381   1.292   0.122  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        5.652   2.385  -0.326  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.282   2.271  -0.574  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.506  -1.222   0.227  0.00  0.00    +0.027 A 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1       -0.315  -1.524  -0.489  0.00  0.00    +0.075 C 
ATOM     13  C   LIG    1       -1.052  -0.959   0.730  0.00  0.00    +0.095 C 
ATOM     14  N   LIG    1       -2.391  -0.428   0.416  0.00  0.00    -0.301 NA
ATOM     15  C   LIG    1       -3.048  -1.125  -0.702  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -2.610  -2.583  -0.822  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1       -1.110  -2.692  -1.103  0.00  0.00    +0.014 C 
BRANCH  14  18
ATOM     18  C   LIG    1       -2.369   1.029   0.229  0.00  0.00    +0.088 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.761   1.594   0.205  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -4.064   2.913   0.872  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.594   1.636   1.462  0.00  0.00    +0.005 C 
ENDBRANCH  18  19
ENDBRANCH  14  18
ENDBRANCH   2  12
TORSDOF 4