REMARK  Name = BDB009614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.086   2.688  -0.877  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1       -0.289   1.890   0.426  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1       -1.256   0.742   0.085  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1       -2.469   0.960   0.049  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1       -0.719  -0.481  -0.305  0.00  0.00    -0.290 N 
ATOM      6  C   LIG    1        0.597  -0.943   0.170  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        1.657   0.179   0.287  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        1.049   1.392   1.006  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        0.508  -1.767   1.462  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        1.336  -2.896   1.604  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        1.303  -3.670   2.767  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.445  -3.321   3.805  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        0.403  -4.273   5.237  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.378  -2.206   3.689  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.345  -1.431   2.525  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1        2.402   0.556  -0.995  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        1.965   0.206  -2.282  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.703   0.574  -3.411  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        2.134   0.138  -4.976  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        3.889   1.290  -3.283  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.342   1.642  -2.015  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.607   1.277  -0.884  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1       -1.599  -1.508  -0.891  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -2.770  -1.977  -0.008  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -4.020  -1.862  -0.878  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.501  -1.905  -2.306  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -2.221  -1.089  -2.232  0.00  0.00    +0.022 C 
ENDBRANCH   5  23
BRANCH   2  28
ATOM     28  C   LIG    1       -1.002   2.796   1.464  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.181   3.970   1.916  0.00  0.00    +0.306 C 
ATOM     30  O   LIG    1        0.669   3.958   2.791  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -0.447   5.096   1.230  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        0.145   5.770   1.624  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 6