REMARK  Name = BDB048553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.614  -0.493  -1.109  0.00  0.00    -0.286 OA
ATOM      2  C   LIG    1       -1.439  -0.147  -1.186  0.00  0.00    +0.201 C 
ATOM      3  C   LIG    1       -1.148   1.247  -1.556  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        0.153   1.725  -1.542  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        0.410   3.061  -1.886  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.637   3.910  -2.244  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.945   3.431  -2.258  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.268   0.846  -1.160  0.00  0.00    +0.201 C 
ATOM      9  O   LIG    1        2.389   1.335  -1.057  0.00  0.00    -0.286 OA
ATOM     10  C   LIG    1        0.979  -0.604  -0.910  0.00  0.00    +0.072 C 
ATOM     11  C   LIG    1       -2.202   2.103  -1.914  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.288  -1.071  -0.913  0.00  0.00    +0.072 C 
ENDROOT
BRANCH  10  13
ATOM     13  S   LIG    1        2.390  -1.632  -0.714  0.00  0.00    -0.118 S 
BRANCH  13  14
ATOM     14  C   LIG    1        3.168  -0.979   0.795  0.00  0.00    +0.102 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.290  -1.102   2.036  0.00  0.00    +0.167 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.952  -0.547   3.173  0.00  0.00    -0.394 OA
ATOM     17  H   LIG    1        3.191   0.371   2.960  0.00  0.00    +0.209 HD
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  10  13
BRANCH  12  18
ATOM     18  S   LIG    1       -0.675  -2.768  -0.708  0.00  0.00    -0.118 S 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.001  -2.809   0.547  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.754  -1.991   1.813  0.00  0.00    +0.167 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.617  -2.473   2.518  0.00  0.00    -0.394 OA
ATOM     22  H   LIG    1       -0.594  -2.026   3.382  0.00  0.00    +0.209 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  12  18
TORSDOF 8