REMARK  Name = BDB048707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.990  -0.683  -2.200  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -4.207  -0.612  -0.917  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -4.813  -0.190   0.279  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -4.057  -0.146   1.454  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -2.707  -0.513   1.443  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -2.095  -0.922   0.258  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.851  -0.980  -0.914  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   3   8
ATOM      8  O   LIG    1       -6.138   0.148   0.186  0.00  0.00    -0.481 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -6.789   0.578   1.385  0.00  0.00    +0.349 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -8.237   0.903   1.057  0.00  0.00    +0.343 C 
ATOM     11  O   LIG    1       -9.047   1.312   1.877  0.00  0.00    -0.247 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -8.554   0.695  -0.244  0.00  0.00    -0.478 OA
ATOM     13  H   LIG    1       -7.761   0.368  -0.724  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   3   8
BRANCH   6  14
ATOM     14  S   LIG    1       -0.382  -1.409   0.220  0.00  0.00    -0.121 S 
BRANCH  14  15
ATOM     15  C   LIG    1        0.394   0.174   0.675  0.00  0.00    +0.102 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.882   0.025   0.612  0.00  0.00    -0.007 C 
ATOM     17  C   LIG    1        2.668   0.709  -0.232  0.00  0.00    +0.057 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.078   0.532  -0.235  0.00  0.00    -0.069 C 
ATOM     19  C   LIG    1        5.270   0.384  -0.241  0.00  0.00    -0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1        6.688   0.203  -0.249  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        7.527   1.222   0.209  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        8.912   1.043   0.201  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        9.459  -0.152  -0.264  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        8.623  -1.171  -0.721  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        7.238  -0.995  -0.714  0.00  0.00    +0.017 A 
ENDBRANCH  19  20
ENDBRANCH  17  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   6  14
TORSDOF 9