REMARK  Name = BDB028580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.128  -1.159   1.709  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.158  -1.190   1.061  0.00  0.00    -0.448 OA
BRANCH   2   4
ATOM      3  O   LIG    1        1.260   1.077   1.259  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1        1.755   0.018   0.884  0.00  0.00    +0.403 C 
ATOM      5  N   LIG    1        2.974  -0.077   0.238  0.00  0.00    -0.263 N 
ATOM      6  C   LIG    1        3.606   1.169  -0.169  0.00  0.00    +0.146 C 
ATOM      7  C   LIG    1        5.038   1.028  -0.633  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1        5.658  -0.229  -0.748  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        6.990  -0.312  -1.175  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        7.697   0.842  -1.511  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        7.082   2.088  -1.415  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        4.913  -1.477  -0.354  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        5.761   2.181  -0.977  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.401  -1.289  -0.453  0.00  0.00    +0.116 C 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.233  -0.740   0.730  0.00  0.00    +0.166 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -1.451  -1.794  -0.223  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1       -2.349  -1.624  -0.577  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -2.557  -0.474   1.476  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.683  -0.265   0.534  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -4.967  -0.442   1.262  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -6.125  -0.108   0.365  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1       -5.988   0.692  -0.751  0.00  0.00    -0.005 A 
ATOM     23  S   LIG    1       -7.447   0.946  -1.579  0.00  0.00    -0.101 S 
ATOM     24  C   LIG    1       -8.306  -0.015  -0.452  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -4.681   1.248  -1.210  0.00  0.00    +0.058 C 
ATOM     26  C   LIG    1       -7.484  -0.516   0.536  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -3.627   1.082  -0.092  0.00  0.00    +0.090 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6