REMARK  Name = BDB060866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.029   4.189  -2.643  0.00  0.00    -0.009 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -1.645   0.612  -1.458  0.00  0.00    +0.162 A 
ATOM      3  N   LIG    1       -1.788   1.974  -1.343  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1       -1.997   2.498  -0.508  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -1.354   2.500  -2.522  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -1.044   1.540  -3.356  0.00  0.00    -0.122 NA
ATOM      7  N   LIG    1       -1.247   0.348  -2.693  0.00  0.00    -0.128 NA
BRANCH   2  12
ATOM      8 CL   LIG    1       -2.197  -3.458   2.901  0.00  0.00    -0.084 Cl
ATOM      9  C   LIG    1       -2.073  -2.281   1.654  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -1.991  -0.930   1.983  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -1.872   0.030   0.971  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.836  -0.355  -0.378  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -1.926  -1.721  -0.688  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.045  -2.681   0.322  0.00  0.00    +0.021 A 
ENDBRANCH   2  12
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  S   LIG    1        1.030   4.085  -2.802  0.00  0.00    -0.009 S 
BRANCH  15  16
ATOM     16  C   LIG    1        1.355   3.293  -1.305  0.00  0.00    +0.200 A 
ATOM     17  N   LIG    1        1.789   2.003  -1.298  0.00  0.00    -0.316 N 
ATOM     18  H   LIG    1        1.998   1.450  -2.114  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1        1.645   1.560  -0.006  0.00  0.00    +0.162 A 
ATOM     20  N   LIG    1        1.247   2.583   0.733  0.00  0.00    -0.128 NA
ATOM     21  N   LIG    1        1.044   3.670  -0.090  0.00  0.00    -0.122 NA
BRANCH  19  22
ATOM     22  C   LIG    1        1.836   0.181   0.444  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        1.926  -0.086   1.820  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        2.045  -1.397   2.291  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        2.072  -2.455   1.388  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        2.196  -4.070   1.964  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        1.990  -2.212   0.020  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        1.872  -0.899  -0.451  0.00  0.00    +0.013 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5