REMARK  Name = BDB047343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.391  -0.072  -0.624  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -1.387  -2.529  -0.831  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -1.500  -1.521  -0.151  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.757  -1.624   1.171  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -1.806  -2.589   1.332  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -0.363   0.068  -1.622  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        0.891   0.066  -1.077  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        1.364   1.152  -0.345  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        2.664   1.126   0.168  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.505   0.025  -0.059  0.00  0.00    -0.011 A 
ATOM     11  C   LIG    1        3.018  -1.044  -0.828  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.718  -1.020  -1.341  0.00  0.00    +0.046 A 
BRANCH  10  13
ATOM     13  C   LIG    1        4.878  -0.013   0.462  0.00  0.00    +0.019 A 
ATOM     14  S   LIG    1        5.206   0.421   2.091  0.00  0.00    -0.097 S 
ATOM     15  C   LIG    1        6.877   0.110   1.915  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        7.190  -0.324   0.647  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        6.037  -0.400  -0.188  0.00  0.00    +0.016 A 
ENDBRANCH  10  13
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.708   0.335  -1.298  0.00  0.00    +0.091 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.867   0.489  -0.344  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1       -3.965   1.619   0.479  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.030   1.754   1.371  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.006   0.762   1.448  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.918  -0.365   0.633  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.854  -0.502  -0.259  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7