REMARK  Name = BDB059530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.755  -2.172   0.991  0.00  0.00    +0.192 A 
ATOM      2  N   LIG    1        1.725  -1.369   0.699  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1        1.594  -0.237   1.413  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        2.496   0.093   2.400  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1        3.522  -0.798   2.591  0.00  0.00    +0.135 A 
ATOM      6 CL   LIG    1        4.724  -0.503   3.780  0.00  0.00    -0.062 Cl
ATOM      7  N   LIG    1        3.687  -1.938   1.911  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        0.519   0.655   1.177  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1        0.030   0.825   2.047  0.00  0.00    +0.154 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -0.348   0.683   0.054  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1       -1.699   1.100   0.177  0.00  0.00    -0.023 A 
ATOM     12  C   LIG    1       -2.273   1.485   1.527  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1       -3.628   2.187   1.468  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -4.563   1.462   0.515  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -3.991   1.505  -0.897  0.00  0.00    +0.035 C 
ATOM     16  C   LIG    1       -2.537   1.098  -0.965  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1       -2.009   0.762  -2.219  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -0.671   0.414  -2.350  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        0.148   0.382  -1.224  0.00  0.00    +0.023 A 
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  20
ATOM     20  S   LIG    1        2.877  -3.662   0.041  0.00  0.00    -0.075 S 
BRANCH  20  21
ATOM     21  C   LIG    1        4.274  -3.172  -1.008  0.00  0.00    +0.197 C 
BRANCH  21  23
ATOM     22  O   LIG    1        4.790  -1.397  -2.546  0.00  0.00    -0.250 OA
ATOM     23  C   LIG    1        3.933  -2.079  -1.997  0.00  0.00    +0.315 C 
BRANCH  23  24
ATOM     24  O   LIG    1        2.624  -1.939  -2.301  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1        2.038  -2.490  -1.738  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6