REMARK  Name = BDB051412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.165   1.029   0.557  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.626   0.130   1.476  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        0.542  -0.572   1.159  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.186  -0.360  -0.064  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        0.643   0.551  -0.974  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.521   1.254  -0.658  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.281   1.782   0.805  0.00  0.00    -0.477 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.410   1.026   1.290  0.00  0.00    +0.285 C 
BRANCH   8  10
ATOM      9  O   LIG    1       -4.471   0.847   3.474  0.00  0.00    -0.247 OA
ATOM     10  C   LIG    1       -3.641   1.386   2.756  0.00  0.00    +0.346 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -2.834   2.382   3.201  0.00  0.00    -0.478 OA
ATOM     12  H   LIG    1       -2.240   2.683   2.478  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
BRANCH   8  13
ATOM     13  C   LIG    1       -4.657   1.435   0.497  0.00  0.00    +0.091 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.639   0.890  -0.912  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1       -5.035  -0.429  -1.167  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.994  -0.941  -2.465  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.556  -0.140  -3.518  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.160   1.174  -3.275  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.200   1.688  -1.978  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  S   LIG    1        2.667  -1.250  -0.500  0.00  0.00    -0.121 S 
BRANCH  20  21
ATOM     21  C   LIG    1        3.781  -0.656   0.815  0.00  0.00    +0.109 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.189  -1.156   0.612  0.00  0.00    -0.037 A 
ATOM     23  C   LIG    1        5.593  -2.388   1.148  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.894  -2.853   0.953  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.803  -2.096   0.217  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.412  -0.875  -0.328  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.111  -0.407  -0.135  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9