REMARK  Name = BDB050714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.357   0.268  -0.351  0.00  0.00    +0.157 A 
ATOM      2  C   LIG    1       -0.175  -1.016  -0.223  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -1.548  -1.196  -0.045  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -2.407  -0.098   0.005  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.876   1.185  -0.125  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.498   1.368  -0.303  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.717   0.318  -0.522  0.00  0.00    -0.343 OA
BRANCH   7   9
ATOM      8  O   LIG    1        2.444   2.432   0.620  0.00  0.00    -0.132 OA
ATOM      9  S   LIG    1        2.541   1.719  -0.640  0.00  0.00    +0.144 S 
ATOM     10  O   LIG    1        2.183   2.366  -1.888  0.00  0.00    -0.132 OA
BRANCH   9  11
ATOM     11  C   LIG    1        4.140   1.069  -0.812  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1        4.752   0.521   0.249  0.00  0.00    +0.030 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.107  -0.044   0.204  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        6.933   0.098   1.326  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        8.220  -0.447   1.336  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        8.688  -1.150   0.229  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.870  -1.312  -0.887  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        6.583  -0.767  -0.898  0.00  0.00    +0.008 A 
ENDBRANCH  12  13
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  O   LIG    1       -3.725  -0.413   0.183  0.00  0.00    -0.487 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -4.650   0.669   0.245  0.00  0.00    +0.264 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -6.031   0.095   0.445  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1       -6.825  -0.249  -0.658  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -8.098  -0.792  -0.472  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -8.584  -1.006   0.817  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.797  -0.682   1.921  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.524  -0.138   1.736  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 7