REMARK  Name = BDB032651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.226  -0.143   0.584  0.00  0.00    +0.134 A 
ATOM      2  S   LIG    1        0.468  -1.563   1.210  0.00  0.00    -0.029 S 
ATOM      3  C   LIG    1       -1.014  -0.929   0.666  0.00  0.00    +0.201 A 
ATOM      4  N   LIG    1       -0.941   0.260   0.120  0.00  0.00    -0.124 NA
ATOM      5  N   LIG    1        0.362   0.711   0.061  0.00  0.00    -0.140 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.562   1.618   0.335  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        3.192   1.339   0.287  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1        2.681   0.085   0.659  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        3.597  -0.890   1.078  0.00  0.00    +0.056 A 
ATOM     10  C   LIG    1        4.971  -0.626   1.131  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        5.452   0.631   0.760  0.00  0.00    +0.091 A 
BRANCH   6  13
ATOM     12  C   LIG    1        6.274   3.229  -0.050  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        4.895   2.886  -0.057  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
BRANCH  10  14
ATOM     14  O   LIG    1        5.730  -1.681   1.563  0.00  0.00    -0.495 OA
ATOM     15  C   LIG    1        7.138  -1.490   1.617  0.00  0.00    +0.277 C 
ENDBRANCH  10  14
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  N   LIG    1       -2.269  -1.606   0.870  0.00  0.00    -0.192 N 
ATOM     17  H   LIG    1       -2.281  -2.404   1.497  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -3.113  -1.912  -0.551  0.00  0.00    +0.081 S 
ATOM     19  O   LIG    1       -4.006  -3.015  -0.245  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -2.142  -2.061  -1.615  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.111  -0.469  -0.761  0.00  0.00    +0.191 A 
ATOM     22  C   LIG    1       -4.092   0.268  -1.950  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -4.896   1.408  -2.082  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -5.692   1.837  -1.023  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -5.715   1.108   0.163  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -4.949  -0.057   0.285  0.00  0.00    +0.150 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -3.387  -0.149  -3.044  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -2.269   0.705  -3.299  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
BRANCH  26  29
ATOM     29  O   LIG    1       -4.990  -0.748   1.469  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1       -6.250  -1.403   1.639  0.00  0.00    +0.277 C 
ENDBRANCH  26  29
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 8