REMARK  Name = BDB006095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.400   2.696  -0.461  0.00  0.00    -0.174 NA
ATOM      2  C   LIG    1       -1.150   2.171  -1.829  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -0.494   0.778  -1.788  0.00  0.00    +0.102 C 
ATOM      4  N   LIG    1        0.787   0.702  -1.045  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        0.865   1.772  -0.013  0.00  0.00    +0.102 C 
ATOM      6  C   LIG    1       -0.505   2.141   0.589  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -2.995   3.044  -0.014  0.00  0.00    +0.061 S 
ATOM      8  O   LIG    1       -3.627   3.732  -1.120  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1       -2.970   3.623   1.313  0.00  0.00    -0.153 OA
BRANCH   7  13
ATOM     10  C   LIG    1       -4.981  -1.075   0.337  0.00  0.00    -0.045 A 
ATOM     11  C   LIG    1       -4.354  -0.486   1.448  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -3.748   0.768   1.343  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -3.749   1.435   0.117  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1       -4.395   0.880  -0.990  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -5.000  -0.373  -0.879  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.827  -2.416   1.410  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.651  -2.436   0.431  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1       -4.649  -3.532   0.803  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1        1.940   0.794  -1.970  0.00  0.00    +0.158 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.224   0.394  -1.244  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1        3.160  -0.653  -0.352  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        2.244  -1.046  -0.167  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        4.211  -1.126   0.380  0.00  0.00    +0.162 A 
ATOM     24  C   LIG    1        5.481  -0.439   0.119  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1        6.617  -0.838   0.798  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        6.492  -1.941   1.761  0.00  0.00    +0.273 A 
ATOM     27  N   LIG    1        5.231  -2.481   1.907  0.00  0.00    -0.241 N 
ATOM     28  H   LIG    1        5.127  -3.245   2.568  0.00  0.00    +0.192 HD
ATOM     29  O   LIG    1        7.462  -2.344   2.393  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1        7.827  -0.187   0.554  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1        7.868   0.860  -0.372  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        6.705   1.255  -1.049  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1        5.491   0.610  -0.812  0.00  0.00    +0.077 A 
ATOM     34  N   LIG    1        4.100  -2.097   1.238  0.00  0.00    -0.153 NA
ATOM     35  N   LIG    1        4.331   1.035  -1.507  0.00  0.00    -0.232 NA
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5