REMARK  Name = BDB009061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.162   0.130   0.903  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.248   0.968   0.259  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.275   1.674   0.986  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.245   1.554   2.380  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.165   0.737   3.034  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.118   0.029   2.299  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.511  -0.375  -1.972  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        3.299  -0.807  -1.135  0.00  0.00    +0.255 C 
ATOM      9  N   LIG    1        3.150  -0.624   0.234  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        3.767  -1.157   0.830  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.476  -1.600  -1.495  0.00  0.00    +0.074 A 
ATOM     12  S   LIG    1        4.527  -2.356  -3.039  0.00  0.00    -0.092 S 
ATOM     13  C   LIG    1        6.064  -3.038  -2.738  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        6.548  -2.692  -1.498  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        5.637  -1.859  -0.782  0.00  0.00    +0.021 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.715   2.564   0.272  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.165   2.135   0.480  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.712   0.966  -0.279  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -1.874   0.232  -1.289  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -2.691  -0.687  -2.203  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.716  -1.482  -1.404  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.677  -0.550  -0.664  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.984   0.617  -0.016  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.783   1.396   0.963  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -5.949   1.115   1.218  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -4.141   2.449   1.557  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -4.670   2.994   2.229  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -2.853   2.825   1.342  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4