REMARK  Name = BDB009071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.345   0.255   1.099  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.375   1.049   0.467  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.166   1.378   1.106  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.046   0.927   2.413  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.909   0.134   3.046  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.095  -0.205   2.391  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        4.770  -1.201   1.914  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        4.636  -0.740   0.784  0.00  0.00    +0.256 C 
ATOM      9  N   LIG    1        3.518  -0.028   0.365  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        3.558   0.390  -0.553  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        5.664  -0.885  -0.238  0.00  0.00    +0.094 A 
ATOM     12  S   LIG    1        7.260  -1.357   0.207  0.00  0.00    -0.071 S 
ATOM     13  C   LIG    1        7.735  -1.277  -1.435  0.00  0.00    +0.156 A 
ATOM     14  N   LIG    1        6.800  -0.937  -2.293  0.00  0.00    -0.255 NA
ATOM     15  C   LIG    1        5.616  -0.727  -1.612  0.00  0.00    +0.131 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.847   2.256   0.405  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.291   1.784   0.554  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.808   0.691  -0.328  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -1.916   0.029  -1.341  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -2.511  -1.253  -1.932  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.989  -1.078  -2.256  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.783  -0.702  -1.003  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.096   0.344  -0.168  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.925   1.010   0.869  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -6.098   0.705   1.054  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -4.298   1.981   1.601  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -4.848   2.451   2.313  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -3.008   2.383   1.460  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4