REMARK  Name = BDB060847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.809  -0.364  -0.685  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1        0.610  -0.896  -0.336  0.00  0.00    -0.316 N 
ATOM      3  H   LIG    1        0.445  -1.851  -0.067  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -0.307   0.122  -0.421  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        0.336   1.210  -0.815  0.00  0.00    -0.129 NA
ATOM      6  N   LIG    1        1.669   0.901  -0.983  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.737   0.007  -0.128  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -2.558   1.137  -0.270  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -3.927   1.072  -0.001  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.498  -0.127   0.414  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.700  -1.260   0.561  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.329  -1.194   0.292  0.00  0.00    +0.011 A 
ENDBRANCH   4   7
BRANCH   1  13
ATOM     13  S   LIG    1        3.224  -1.338  -0.717  0.00  0.00    -0.073 S 
BRANCH  13  14
ATOM     14  C   LIG    1        4.519  -0.062  -0.747  0.00  0.00    +0.165 C 
BRANCH  14  16
ATOM     15  C   LIG    1        4.965   0.981   1.670  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        4.764   0.508   0.584  0.00  0.00    -0.094 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 4