REMARK  Name = BDB065334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.469  -0.999  -2.639  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1        1.064  -0.413  -3.818  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -0.128  -2.316  -2.650  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.678  -0.934  -1.343  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        2.376   0.258  -1.127  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        3.329   0.338  -0.102  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        3.581  -0.799   0.704  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.536  -0.714   1.729  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        5.234   0.473   1.958  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.986   1.590   1.165  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        2.874  -1.990   0.462  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.040   1.524   0.141  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        1.925  -2.061  -0.559  0.00  0.00    +0.029 A 
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  N   LIG    1       -0.679   0.071  -2.086  0.00  0.00    -0.182 NA
ATOM     15  H   LIG    1       -0.947   0.826  -2.722  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -1.671  -0.376  -1.108  0.00  0.00    +0.185 C 
BRANCH  16  18
ATOM     17  O   LIG    1       -2.577   1.832  -1.446  0.00  0.00    -0.291 OA
ATOM     18  C   LIG    1       -2.590   0.791  -0.785  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.545   0.659   0.357  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.740  -0.551   1.034  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.647  -0.609   2.095  0.00  0.00    +0.019 A 
ATOM     22 BR   LIG    1       -4.908  -2.244   3.010  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1       -5.364   0.520   2.486  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -5.176   1.724   1.810  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.271   1.793   0.749  0.00  0.00    +0.011 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5