REMARK  Name = BDB064732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.425  -0.971   0.404  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -2.458  -0.021   0.576  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1       -3.789  -0.449   0.712  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -4.086  -1.808   0.674  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1       -3.082  -2.752   0.511  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.755  -2.336   0.381  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.195   1.415   0.615  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1       -1.738   2.098  -0.495  0.00  0.00    +0.053 A 
ATOM      9  S   LIG    1       -1.509   3.766  -0.185  0.00  0.00    -0.104 S 
ATOM     10  C   LIG    1       -2.046   3.595   1.430  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -2.385   2.294   1.728  0.00  0.00    +0.016 A 
ENDBRANCH   2   7
BRANCH   1  13
ATOM     12  C   LIG    1        0.803  -0.976  -0.675  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1       -0.012  -0.568   0.310  0.00  0.00    +0.009 C 
BRANCH  12  16
ATOM     14  C   LIG    1        3.922   1.160  -0.725  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        2.588   0.787  -0.564  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        2.201  -0.541  -0.797  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        3.166  -1.466  -1.216  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1        4.493  -1.073  -1.369  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        4.883   0.238  -1.123  0.00  0.00    +0.090 A 
BRANCH  14  20
ATOM     20  O   LIG    1        4.330   2.444  -0.502  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        3.557   2.974  -0.244  0.00  0.00    +0.292 HD
ENDBRANCH  14  20
BRANCH  18  22
ATOM     22  O   LIG    1        5.393  -2.016  -1.770  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1        6.269  -1.600  -1.829  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH   4  24
ATOM     24  O   LIG    1       -5.366  -2.260   0.798  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1       -5.961  -1.497   0.886  0.00  0.00    +0.292 HD
ENDBRANCH   4  24
TORSDOF 6