REMARK  Name = BDB046085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.202   1.498  -0.238  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.034   1.254   0.065  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -2.518  -0.134  -0.042  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.143  -0.463  -0.083  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -0.786  -1.803  -0.248  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -1.721  -2.839  -0.362  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -3.071  -2.500  -0.318  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.585  -1.860  -0.275  0.00  0.00    -0.353 N 
ATOM      9  H   LIG    1        1.124  -2.706  -0.394  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        1.134  -0.608  -0.148  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        0.081   0.283   0.013  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1        0.159   1.752   0.272  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -0.973   2.236   1.173  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -3.465  -1.173  -0.167  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -2.252   2.295   0.496  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -2.783   3.155   0.567  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        2.557  -0.400  -0.193  0.00  0.00    +0.036 A 
ATOM     18  S   LIG    1        3.656  -1.579   0.400  0.00  0.00    -0.095 S 
ATOM     19  C   LIG    1        5.013  -0.619   0.002  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        4.648   0.572  -0.583  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.232   0.695  -0.699  0.00  0.00    +0.017 A 
ENDBRANCH  10  17
TORSDOF 1