REMARK  Name = BDB057228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.022   0.125  -0.360  0.00  0.00    +0.117 A 
ATOM      2  C   LIG    1       -3.468  -0.703   0.608  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -2.077  -0.760   0.746  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.236   0.005  -0.077  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -1.821   0.832  -1.047  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -3.212   0.891  -1.187  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.208  -0.085   0.100  0.00  0.00    +0.090 A 
ATOM      8  N   LIG    1        0.797  -0.910   1.054  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1        2.073  -0.709   0.898  0.00  0.00    +0.170 A 
ATOM     10  S   LIG    1        3.484  -1.334   1.649  0.00  0.00    -0.086 S 
ATOM     11  C   LIG    1        4.558  -0.585   0.356  0.00  0.00    +0.099 C 
ATOM     12  C   LIG    1        3.729   0.514  -0.318  0.00  0.00    +0.135 C 
ATOM     13  N   LIG    1        2.344   0.183  -0.082  0.00  0.00    -0.324 N 
ATOM     14  C   LIG    1        1.177   0.607  -0.619  0.00  0.00    +0.116 A 
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  O   LIG    1       -5.372   0.214  -0.531  0.00  0.00    -0.507 OA
ATOM     16  H   LIG    1       -5.802  -0.373   0.113  0.00  0.00    +0.292 HD
ENDBRANCH   1  15
TORSDOF 2