REMARK  Name = BDB018765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.068  -0.390  -0.740  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.043   0.230  -0.141  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.290   0.259  -0.781  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.457   0.996  -0.179  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -3.795   0.382  -0.621  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -4.981   1.224  -0.143  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -5.222   0.777   1.261  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -4.632  -0.575   1.437  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -3.812   0.206  -2.133  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -2.659  -0.274  -2.699  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -2.717  -0.523  -3.679  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -4.813   0.381  -2.825  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.087  -0.960   0.067  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -1.427  -0.327  -2.042  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -0.338  -0.929  -2.663  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        0.898  -0.966  -2.011  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  23
ATOM     17  C   LIG    1        8.381   0.627   0.020  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        6.957   0.270   0.268  0.00  0.00    +0.076 A 
ATOM     19  S   LIG    1        6.495  -0.412   1.773  0.00  0.00    -0.072 S 
ATOM     20  C   LIG    1        4.862  -0.492   1.235  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        4.787   0.011  -0.064  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1        3.533   0.042  -0.709  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        2.374  -0.424  -0.061  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        2.495  -0.921   1.245  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        3.728  -0.964   1.911  0.00  0.00    +0.018 A 
ATOM     26  N   LIG    1        5.988   0.441  -0.603  0.00  0.00    -0.244 NA
ENDBRANCH   1  23
BRANCH   7  27
ATOM     27  C   LIG    1       -6.156   1.300   2.065  0.00  0.00    +0.169 C 
ATOM     28  N   LIG    1       -6.962   1.749   2.764  0.00  0.00    -0.174 NA
ENDBRANCH   7  27
TORSDOF 2