REMARK  Name = BDB064745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.841  -0.285   1.078  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1        1.664   0.180   0.041  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        3.064   0.090   0.126  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.634  -0.461   1.283  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1        2.828  -0.912   2.329  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.438  -0.818   2.226  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.866   0.592  -0.989  0.00  0.00    -0.007 A 
ATOM      8  C   LIG    1        4.861  -0.166  -1.578  0.00  0.00    +0.053 A 
ATOM      9  S   LIG    1        5.622   0.641  -2.881  0.00  0.00    -0.104 S 
ATOM     10  C   LIG    1        4.623   2.013  -2.686  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        3.728   1.857  -1.650  0.00  0.00    +0.016 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     12  C   LIG    1       -1.345  -0.399  -0.089  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1       -0.624  -0.180   1.023  0.00  0.00    +0.008 C 
BRANCH  12  16
ATOM     14  C   LIG    1       -5.023  -0.668   0.756  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -3.637  -0.773   0.875  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -2.809  -0.288  -0.148  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -3.398   0.273  -1.289  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1       -4.784   0.369  -1.387  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -5.606  -0.096  -0.369  0.00  0.00    +0.090 A 
BRANCH  14  20
ATOM     20  O   LIG    1       -5.856  -1.128   1.734  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1       -5.318  -1.513   2.446  0.00  0.00    +0.292 HD
ENDBRANCH  14  20
BRANCH  18  22
ATOM     22  O   LIG    1       -5.303   0.931  -2.517  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1       -6.272   0.930  -2.445  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH   4  24
ATOM     24  O   LIG    1        4.995  -0.544   1.408  0.00  0.00    -0.506 OA
ATOM     25  H   LIG    1        5.216  -0.882   2.291  0.00  0.00    +0.292 HD
ENDBRANCH   4  24
TORSDOF 6