REMARK  Name = BDB050684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.588  -1.613   0.749  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.932  -1.545   0.934  0.00  0.00    +0.005 C 
BRANCH   2   3
ATOM      3  C   LIG    1        1.572  -0.336   0.247  0.00  0.00    +0.035 C 
BRANCH   3   7
ATOM      4  C   LIG    1        5.869  -0.452   0.563  0.00  0.00    +0.156 A 
ATOM      5  C   LIG    1        5.239  -1.034  -0.533  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        3.847  -0.986  -0.640  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        3.077  -0.368   0.355  0.00  0.00    -0.047 A 
ATOM      8  C   LIG    1        3.721   0.181   1.471  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        5.112   0.133   1.578  0.00  0.00    +0.049 A 
BRANCH   4  10
ATOM     10  O   LIG    1        7.226  -0.480   0.739  0.00  0.00    -0.346 OA
BRANCH  10  12
ATOM     11  C   LIG    1        7.689   1.854  -0.325  0.00  0.00    +0.242 C 
ATOM     12  S   LIG    1        8.245   0.161  -0.371  0.00  0.00    +0.118 S 
ATOM     13  O   LIG    1        9.584   0.130   0.183  0.00  0.00    -0.137 OA
ATOM     14  O   LIG    1        7.975  -0.382  -1.688  0.00  0.00    -0.137 OA
ENDBRANCH  10  12
ENDBRANCH   4  10
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.329  -0.456   1.423  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.852  -0.638   1.454  0.00  0.00    +0.008 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.543  -0.832   0.089  0.00  0.00    +0.041 C 
ATOM     18  C   LIG    1       -3.363   0.343  -0.871  0.00  0.00    +0.169 C 
ATOM     19  O   LIG    1       -4.269   1.385  -0.530  0.00  0.00    -0.340 OA
ATOM     20  C   LIG    1       -5.638   0.983  -0.681  0.00  0.00    +0.267 C 
ATOM     21  C   LIG    1       -6.133   1.535  -2.019  0.00  0.00    +0.087 C 
ATOM     22  O   LIG    1       -5.794  -0.442  -0.723  0.00  0.00    -0.340 OA
ATOM     23  C   LIG    1       -5.043  -1.068   0.312  0.00  0.00    +0.169 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -6.505   1.626   0.449  0.00  0.00    +0.365 C 
ATOM     25  O   LIG    1       -6.129   2.378   1.336  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -7.808   1.256   0.410  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -8.203   1.714   1.181  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 10