REMARK  Name = BDB059455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.200  -1.805  -0.500  0.00  0.00    -0.219 N 
ATOM      2  C   LIG    1       -1.444  -1.222  -0.519  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -1.689  -0.120  -0.988  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -2.445  -2.139   0.102  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -3.758  -1.935   0.284  0.00  0.00    +0.028 C 
ATOM      6  S   LIG    1       -1.663  -3.606   0.585  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1       -0.088  -3.044   0.061  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1        0.928  -3.711   0.178  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.508  -0.730  -0.075  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -5.494  -0.803  -1.066  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -6.237   0.331  -1.405  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -6.000   1.537  -0.748  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -6.915   2.932  -1.167  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -5.028   1.619   0.247  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.285   0.485   0.587  0.00  0.00    +0.009 A 
ENDBRANCH   5   9
BRANCH   1  16
ATOM     16  C   LIG    1        0.969  -1.073  -0.935  0.00  0.00    +0.213 C 
BRANCH  16  19
ATOM     17  N   LIG    1        2.539   0.604  -0.117  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1        2.658   0.827  -1.098  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        1.500  -0.239   0.233  0.00  0.00    +0.231 C 
ATOM     20  O   LIG    1        1.061  -0.327   1.378  0.00  0.00    -0.274 OA
BRANCH  17  21
ATOM     21  C   LIG    1        3.085   1.538   0.848  0.00  0.00    +0.104 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.457   2.063   0.430  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.838   0.270   1.613  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.542   0.989   0.306  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6