REMARK  Name = BDB003713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.766  -0.471  -0.819  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.552  -1.608  -0.415  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        1.542  -2.530  -0.155  0.00  0.00    -0.314 N 
ATOM      4  H   LIG    1        1.280  -3.460   0.150  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.955  -2.229  -0.317  0.00  0.00    +0.115 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.752  -2.394   0.981  0.00  0.00    +0.093 C 
BRANCH   6   7
ATOM      7  S   LIG    1        3.211  -1.276   2.326  0.00  0.00    -0.124 S 
BRANCH   7   8
ATOM      8  C   LIG    1        3.971   0.237   1.773  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        5.323   0.483   2.033  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        5.918   1.673   1.604  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        5.156   2.618   0.918  0.00  0.00    +0.018 A 
ATOM     12 BR   LIG    1        5.960   4.226   0.335  0.00  0.00    -0.050 Br
ATOM     13  C   LIG    1        3.806   2.386   0.663  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        3.214   1.197   1.095  0.00  0.00    +0.016 A 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -0.835  -2.138  -0.130  0.00  0.00    +0.112 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.898  -1.125  -0.528  0.00  0.00    +0.115 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -3.223  -1.662  -0.191  0.00  0.00    -0.189 NA
ATOM     18  H   LIG    1       -3.464  -1.788   0.790  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -4.543  -1.276  -1.155  0.00  0.00    +0.058 S 
ATOM     20  O   LIG    1       -5.708  -1.785  -0.466  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1       -4.232  -1.660  -2.514  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.585   0.497  -1.065  0.00  0.00    +0.105 A 
ATOM     23  C   LIG    1       -4.041   1.260  -2.102  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -4.088   2.652  -2.025  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.685   3.272  -0.926  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.242   2.505   0.099  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.199   1.112   0.030  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 9