REMARK  Name = BDB029744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.779  -0.084   0.053  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1       -0.481   0.261  -0.387  0.00  0.00    +0.122 A 
ATOM      3  N   LIG    1       -1.373  -0.055   0.618  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1       -0.731  -0.590   1.686  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.558  -0.604   1.339  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   1   9
ATOM      6  O   LIG    1        4.155   0.596  -2.536  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        4.318   0.105  -1.431  0.00  0.00    +0.256 C 
ATOM      8  C   LIG    1        3.239  -0.181  -0.442  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        1.960   0.100  -0.727  0.00  0.00    +0.031 C 
ATOM     10  S   LIG    1        3.931  -0.872   0.977  0.00  0.00    -0.061 S 
ATOM     11  C   LIG    1        5.555  -0.801   0.333  0.00  0.00    +0.118 C 
ATOM     12  S   LIG    1        6.939  -1.297   1.091  0.00  0.00    -0.027 S 
ATOM     13  N   LIG    1        5.528  -0.266  -0.917  0.00  0.00    -0.270 N 
ATOM     14  H   LIG    1        6.370  -0.140  -1.458  0.00  0.00    +0.156 HD
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -2.777   0.118   0.625  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1       -3.514  -0.266   1.742  0.00  0.00    +0.138 A 
ATOM     17  N   LIG    1       -4.861  -0.137   1.836  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -5.499   0.395   0.773  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -4.854   0.806  -0.382  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -3.469   0.666  -0.459  0.00  0.00    +0.031 A 
ENDBRANCH   3  15
TORSDOF 2