REMARK  Name = BDB059522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.961   1.695  -0.467  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.704   1.518  -1.633  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.062   1.186  -1.558  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.694   1.030  -0.317  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        2.943   1.208   0.849  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.588   1.539   0.770  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.364   2.021  -0.397  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.085   2.108  -1.626  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.551   2.438  -1.335  0.00  0.00    +0.096 C 
BRANCH   9  13
ATOM     10  C   LIG    1       -4.693  -0.719   0.588  0.00  0.00    -0.001 A 
ATOM     11  C   LIG    1       -4.426   0.508   1.181  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1       -3.751   1.514   0.579  0.00  0.00    -0.259 NA
ATOM     13  C   LIG    1       -3.303   1.305  -0.681  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -3.541   0.115  -1.364  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -4.240  -0.903  -0.721  0.00  0.00    +0.009 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.877  -1.948   0.808  0.00  0.00    +0.043 C 
ATOM     17  C   LIG    1       -5.456  -1.785   1.330  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -4.783  -3.039   1.220  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -3.828  -2.859   1.279  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        5.158   0.655  -0.248  0.00  0.00    +0.059 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.367  -0.859  -0.311  0.00  0.00    +0.146 C 
ATOM     22  C   LIG    1        5.445  -1.493   1.067  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1        4.700  -1.257   2.008  0.00  0.00    -0.274 OA
ATOM     24  N   LIG    1        6.469  -2.388   1.156  0.00  0.00    -0.246 N 
ATOM     25  H   LIG    1        6.660  -2.846   2.033  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1        7.444  -2.329   0.221  0.00  0.00    +0.279 C 
ATOM     27  O   LIG    1        8.524  -2.888   0.288  0.00  0.00    -0.263 OA
ATOM     28  S   LIG    1        6.974  -1.274  -1.084  0.00  0.00    -0.054 S 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8