REMARK  Name = BDB050922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.389  -0.543   0.396  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.614  -0.262  -0.569  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -1.935  -0.022  -0.113  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.951   0.240  -1.056  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -2.684   0.278  -2.423  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.392   0.058  -2.877  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.196  -0.045   1.274  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -1.191  -0.294   2.206  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -0.369  -0.207  -1.964  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.104  -0.538   1.764  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.752  -0.792   0.020  0.00  0.00    -0.220 N 
ATOM     12  H   LIG    1        1.851  -1.357  -0.826  0.00  0.00    +0.173 HD
BRANCH  11  14
ATOM     13  C   LIG    1        3.938   0.220   1.166  0.00  0.00    +0.218 C 
ATOM     14  S   LIG    1        2.755   0.570  -0.114  0.00  0.00    +0.040 S 
ATOM     15  O   LIG    1        3.428   0.428  -1.388  0.00  0.00    -0.155 OA
ATOM     16  O   LIG    1        2.040   1.773   0.243  0.00  0.00    -0.155 OA
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   7  17
ATOM     17  O   LIG    1       -3.474   0.188   1.717  0.00  0.00    -0.506 OA
ATOM     18  H   LIG    1       -3.475   0.204   2.688  0.00  0.00    +0.292 HD
ENDBRANCH   7  17
TORSDOF 3