REMARK  Name = BDB060843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.218  -0.326  -0.268  0.00  0.00    +0.206 A 
ATOM      2  N   LIG    1        2.124   0.455  -0.028  0.00  0.00    -0.202 NA
ATOM      3  C   LIG    1        1.107  -0.380  -0.150  0.00  0.00    +0.157 A 
ATOM      4  N   LIG    1        1.615  -1.616  -0.455  0.00  0.00    -0.258 N 
ATOM      5  H   LIG    1        1.122  -2.485  -0.617  0.00  0.00    +0.191 HD
ATOM      6  N   LIG    1        2.953  -1.604  -0.534  0.00  0.00    -0.146 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.314  -0.058   0.008  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -0.682   1.261   0.323  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.024   1.618   0.484  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -3.016   0.655   0.332  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -4.669   1.086   0.528  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -2.675  -0.659   0.020  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -1.330  -1.015  -0.141  0.00  0.00    +0.013 A 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  S   LIG    1        4.836   0.300  -0.229  0.00  0.00    -0.102 S 
ATOM     15  H   LIG    1        4.491   1.558   0.071  0.00  0.00    +0.110 HD
ENDBRANCH   1  14
TORSDOF 2