REMARK  Name = BDB028519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.069  -0.711  -2.365  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        0.508  -0.534  -1.296  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1        1.364  -1.471  -0.739  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        1.874  -1.409   0.637  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.293  -0.812   0.740  0.00  0.00    +0.128 C 
ATOM      6  N   LIG    1        3.748  -0.307  -0.576  0.00  0.00    -0.175 NA
ATOM      7  C   LIG    1        4.229  -1.317  -1.548  0.00  0.00    +0.111 C 
ATOM      8  C   LIG    1        3.455  -2.639  -1.479  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        1.936  -2.484  -1.623  0.00  0.00    +0.110 C 
ATOM     10  N   LIG    1        0.347   0.607  -0.548  0.00  0.00    -0.297 N 
ATOM     11  H   LIG    1        1.227   0.926  -0.161  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   6  12
ATOM     12  S   LIG    1        4.356   1.263  -0.666  0.00  0.00    +0.061 S 
ATOM     13  O   LIG    1        4.626   1.577  -2.051  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        3.484   2.097   0.138  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1        5.919   1.127   0.172  0.00  0.00    +0.105 A 
ATOM     16  C   LIG    1        7.060   0.771  -0.553  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        8.290   0.684   0.100  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        8.377   0.966   1.464  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.240   1.345   2.179  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        6.006   1.434   1.534  0.00  0.00    +0.028 A 
ENDBRANCH  12  15
ENDBRANCH   6  12
BRANCH  10  21
ATOM     21  C   LIG    1       -0.479   1.699  -1.043  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.973   1.378  -1.205  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.677   2.596  -1.508  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -3.607   2.400  -1.272  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -2.588   0.774   0.077  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.068   0.689  -0.011  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -4.629   0.470   1.340  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.119   0.205   1.348  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.776  -0.252   0.192  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.151  -0.521   0.232  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.865  -0.362   1.419  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.214   0.071   2.571  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.014  -0.387  -1.100  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -6.847   0.350   2.538  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.494  -0.416  -0.891  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 7