REMARK  Name = BDB059189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.859   0.098  -0.579  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -1.226  -1.029  -0.233  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.139  -0.928   0.569  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        0.338   0.294   1.013  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -0.376   1.402   0.588  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -1.484   1.317  -0.184  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.472  -2.232   0.895  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.861  -3.106  -0.138  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.438  -4.348   0.144  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.626  -4.738   1.466  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        2.335  -6.266   1.816  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        1.237  -3.900   2.506  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        0.658  -2.657   2.222  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1        1.498   0.406   1.836  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1        2.423   0.492   2.533  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1       -3.285  -0.084  -1.612  0.00  0.00    -0.073 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.607   1.659  -2.010  0.00  0.00    +0.165 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -5.674   1.900  -3.685  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -4.745   1.789  -2.932  0.00  0.00    -0.094 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1        0.058   3.077   1.039  0.00  0.00    -0.042 S 
BRANCH  20  21
ATOM     21  C   LIG    1        1.337   3.334  -0.135  0.00  0.00    +0.141 A 
ATOM     22  S   LIG    1        1.988   4.894  -0.436  0.00  0.00    -0.069 S 
ATOM     23  C   LIG    1        3.069   4.209  -1.576  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1        2.865   2.848  -1.648  0.00  0.00    +0.120 A 
ATOM     25  N   LIG    1        1.874   2.349  -0.824  0.00  0.00    -0.241 NA
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7