REMARK  Name = BDB061221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.325  -2.013  -1.287  0.00  0.00    -0.153 OA
ATOM      2  S   LIG    1        0.797  -1.771   0.035  0.00  0.00    +0.062 S 
ATOM      3  C   LIG    1       -0.602  -0.707  -0.081  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1       -0.478   0.553  -0.666  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -1.608   1.358  -0.823  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -2.849   0.921  -0.356  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -2.967  -0.328   0.254  0.00  0.00    +0.002 A 
ATOM      8  O   LIG    1        0.700   1.044  -1.158  0.00  0.00    -0.489 OA
ATOM      9  C   LIG    1        1.609   1.391  -0.103  0.00  0.00    +0.246 C 
ATOM     10  C   LIG    1        2.580   0.251   0.204  0.00  0.00    +0.147 C 
ATOM     11  C   LIG    1       -1.845  -1.147   0.389  0.00  0.00    +0.032 A 
ATOM     12  N   LIG    1        1.900  -0.847   0.902  0.00  0.00    -0.187 NA
ATOM     13  H   LIG    1        2.412  -1.395   1.592  0.00  0.00    +0.148 HD
ATOM     14  O   LIG    1        0.460  -2.866   0.921  0.00  0.00    -0.153 OA
ENDROOT
TORSDOF 0