REMARK  Name = BDB057810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.132   3.872  -0.362  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        2.528   2.749  -0.114  0.00  0.00    +0.266 C 
ATOM      3  C   LIG    1        1.718   1.556   0.215  0.00  0.00    +0.105 C 
ATOM      4  C   LIG    1        0.398   1.693   0.395  0.00  0.00    +0.064 C 
ATOM      5  C   LIG    1        2.624   0.375   0.221  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        2.289  -0.781   0.398  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        3.900   0.913  -0.024  0.00  0.00    -0.184 N 
ATOM      8  N   LIG    1        3.833   2.311  -0.134  0.00  0.00    -0.223 N 
ATOM      9  H   LIG    1        4.497   2.826  -0.698  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        5.134   0.212  -0.077  0.00  0.00    +0.058 A 
ATOM     11  C   LIG    1        5.187  -1.188  -0.085  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1        6.414  -1.856  -0.143  0.00  0.00    +0.043 A 
ATOM     13 CL   LIG    1        6.450  -3.577  -0.158  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        7.609  -1.146  -0.192  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        7.577   0.244  -0.181  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        6.351   0.916  -0.123  0.00  0.00    +0.025 A 
ENDBRANCH   7  10
BRANCH   4  17
ATOM     17  C   LIG    1       -0.526   0.661   0.708  0.00  0.00    +0.129 A 
ATOM     18  O   LIG    1       -1.827   0.721   0.257  0.00  0.00    -0.455 OA
ATOM     19  C   LIG    1       -2.514  -0.368   0.704  0.00  0.00    +0.136 A 
ATOM     20  C   LIG    1       -1.676  -1.141   1.476  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -0.423  -0.481   1.490  0.00  0.00    +0.050 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.913  -0.466   0.292  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -4.502   0.514  -0.524  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -5.843   0.422  -0.920  0.00  0.00    +0.056 A 
ATOM     25 CL   LIG    1       -6.439   1.642  -1.989  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -6.618  -0.656  -0.488  0.00  0.00    +0.077 A 
ATOM     27  C   LIG    1       -6.040  -1.653   0.308  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1       -4.700  -1.554   0.697  0.00  0.00    +0.012 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -8.034  -0.833  -0.848  0.00  0.00    +0.338 C 
ATOM     30  O   LIG    1       -8.538  -1.867  -1.244  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -8.764   0.260  -0.574  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -9.679   0.017  -0.825  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  19  22
ENDBRANCH   4  17
TORSDOF 5