REMARK  Name = BDB063254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.225  -1.961   0.912  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1        1.042  -0.599   0.721  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -0.325  -0.304   0.332  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -1.115  -1.445   0.287  0.00  0.00    +0.029 A 
ATOM      5  S   LIG    1       -0.213  -2.845   0.678  0.00  0.00    -0.073 S 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -0.862   1.007  -0.023  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -0.404   1.660  -1.175  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.914   2.914  -1.519  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.879   3.515  -0.712  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -2.507   5.059  -1.139  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -2.337   2.876   0.439  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.828   1.622   0.785  0.00  0.00    +0.010 A 
ENDBRANCH   3   6
BRANCH   4  13
ATOM     13  C   LIG    1       -2.529  -1.607  -0.070  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -2.971  -1.310  -1.367  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -4.320  -1.445  -1.705  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.234  -1.879  -0.747  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -6.895  -2.046  -1.162  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -4.811  -2.179   0.547  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -3.461  -2.042   0.885  0.00  0.00    +0.010 A 
ENDBRANCH   4  13
BRANCH   1  20
ATOM     20  N   LIG    1        2.366  -2.609   1.251  0.00  0.00    -0.352 N 
ATOM     21  H   LIG    1        3.089  -2.095   1.751  0.00  0.00    +0.143 HD
ATOM     22  H   LIG    1        2.264  -3.557   1.607  0.00  0.00    +0.143 HD
ENDBRANCH   1  20
BRANCH   2  23
ATOM     23  C   LIG    1        2.133   0.360   0.858  0.00  0.00    +0.083 C 
ATOM     24  S   LIG    1        2.011   1.514   2.057  0.00  0.00    -0.035 S 
BRANCH  23  25
ATOM     25  N   LIG    1        3.186   0.171  -0.016  0.00  0.00    -0.335 N 
ATOM     26  H   LIG    1        3.119  -0.625  -0.645  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.374   0.962  -0.071  0.00  0.00    +0.071 C 
ATOM     28  C   LIG    1        5.638   0.390  -0.655  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        5.548   0.656   0.818  0.00  0.00    +0.024 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH   2  23
TORSDOF 6