REMARK  Name = BDB046808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.551  -0.019  -1.464  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1       -0.195   1.318  -1.126  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -0.787   1.988  -0.052  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.736   1.293   0.664  0.00  0.00    +0.072 A 
ATOM      5  N   LIG    1       -2.490   1.684   1.776  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -3.334   0.619   2.160  0.00  0.00    +0.330 A 
ATOM      7  N   LIG    1       -3.072  -0.432   1.252  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -3.701  -1.720   1.273  0.00  0.00    +0.154 C 
ATOM      9  O   LIG    1       -4.128   0.606   3.087  0.00  0.00    -0.246 OA
ATOM     10  C   LIG    1       -2.409   2.960   2.427  0.00  0.00    +0.154 C 
ATOM     11  C   LIG    1       -2.094  -0.017   0.339  0.00  0.00    +0.073 A 
ATOM     12  C   LIG    1       -1.522  -0.698  -0.719  0.00  0.00    +0.075 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -0.115  -1.911  -2.851  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        0.127  -0.543  -2.540  0.00  0.00    -0.493 OA
ENDBRANCH   1  14
BRANCH   2  15
ATOM     15  N   LIG    1        0.837   1.964  -1.883  0.00  0.00    -0.213 N 
ATOM     16  H   LIG    1        0.965   1.569  -2.817  0.00  0.00    +0.174 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.337   2.197  -1.134  0.00  0.00    +0.072 S 
ATOM     18  O   LIG    1        2.156   2.983   0.068  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1        3.258   2.610  -2.171  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.804   0.552  -0.636  0.00  0.00    +0.110 A 
ATOM     21  C   LIG    1        2.520   0.112   0.662  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        2.891  -1.179   1.044  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        3.558  -2.012   0.136  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        3.858  -1.557  -1.151  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        3.485  -0.271  -1.539  0.00  0.00    +0.029 A 
BRANCH  22  26
ATOM     26  C   LIG    1        2.586  -1.657   2.361  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1        2.333  -2.057   3.421  0.00  0.00    -0.191 NA
ENDBRANCH  22  26
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 5