REMARK  Name = BDB045200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.851  -1.188   0.508  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -3.046  -1.634   1.076  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -4.266  -1.419   0.432  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -4.308  -0.755  -0.800  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -3.108  -0.302  -1.364  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.887  -0.518  -0.714  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.731  -1.463   1.244  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.522  -1.043   0.699  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.623  -1.457   1.672  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        4.101  -3.490   0.637  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.967  -2.027   0.726  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        2.978  -1.162   1.143  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        3.414   0.136   1.002  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.638   0.020   0.519  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.037  -1.278   0.325  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.595   1.066   0.169  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        5.244   2.414   0.346  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        6.138   3.437   0.020  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.397   3.124  -0.489  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.762   1.792  -0.672  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.867   0.770  -0.345  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -5.630  -0.505  -1.489  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -6.324   0.726  -1.002  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1       -7.369   0.796  -0.165  0.00  0.00    +0.204 A 
ATOM     25  N   LIG    1       -7.816   2.055   0.084  0.00  0.00    -0.287 N 
ATOM     26  H   LIG    1       -8.585   2.297   0.687  0.00  0.00    +0.172 HD
ATOM     27  C   LIG    1       -7.144   3.064  -0.564  0.00  0.00    +0.291 A 
ATOM     28  O   LIG    1       -7.379   4.258  -0.489  0.00  0.00    -0.260 OA
ATOM     29  S   LIG    1       -5.872   2.332  -1.546  0.00  0.00    -0.028 S 
BRANCH  24  30
ATOM     30  O   LIG    1       -7.986  -0.257   0.429  0.00  0.00    -0.493 OA
ATOM     31  H   LIG    1       -8.677   0.099   1.009  0.00  0.00    +0.294 HD
ENDBRANCH  24  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8