REMARK  Name = BDB059196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.670  -0.332  -1.435  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1        0.734  -1.090  -0.853  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -0.549  -0.656  -0.902  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.911   0.512  -1.552  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        0.132   1.230  -2.112  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        1.417   0.812  -2.076  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.495  -1.554  -0.211  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.554  -2.918  -0.551  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.437  -3.788   0.097  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.269  -3.304   1.102  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -4.354  -4.372   1.902  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -3.222  -1.962   1.467  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -2.337  -1.094   0.818  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -2.271   0.929  -1.665  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -3.382   1.254  -1.760  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1        3.354  -0.879  -1.415  0.00  0.00    -0.082 S 
BRANCH  16  17
ATOM     17  C   LIG    1        3.398  -1.787   0.157  0.00  0.00    +0.104 C 
BRANCH  17  19
ATOM     18  C   LIG    1        4.440  -0.623   2.128  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        3.393  -0.841   1.321  0.00  0.00    -0.023 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1       -0.102   2.778  -2.974  0.00  0.00    -0.042 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -0.188   3.830  -1.572  0.00  0.00    +0.141 A 
ATOM     22  S   LIG    1        0.075   5.522  -1.693  0.00  0.00    -0.069 S 
ATOM     23  C   LIG    1       -0.216   5.675  -0.012  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1       -0.500   4.438   0.523  0.00  0.00    +0.120 A 
ATOM     25  N   LIG    1       -0.488   3.383  -0.370  0.00  0.00    -0.241 NA
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7