REMARK  Name = BDB009683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.512   0.109  -0.947  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.325  -0.391   0.183  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.847  -0.052   0.135  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        2.305   0.325  -1.272  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.436   1.439  -1.875  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        1.954   1.661  -3.320  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.012   0.940  -1.958  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.696   1.280  -2.926  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.216  -0.009   1.558  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.337  -0.993   2.557  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -0.760  -0.654   3.846  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.060   0.671   4.149  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -1.576   1.087   5.736  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.942   1.660   3.176  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.518   1.321   1.888  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.708  -1.177   0.715  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        3.347  -0.992   1.953  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.120  -2.010   2.510  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        4.891  -1.763   4.029  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.270  -3.225   1.849  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.639  -3.425   0.623  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.861  -2.410   0.061  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.833  -0.557  -1.249  0.00  0.00    +0.081 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.977  -2.822  -1.709  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -1.798  -2.098  -1.069  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.129   0.129  -0.700  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1       -3.133   1.652  -0.864  0.00  0.00    +0.011 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -3.547  -0.262   0.723  0.00  0.00    +0.161 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -4.895   0.133   0.982  0.00  0.00    -0.395 OA
ATOM     30  H   LIG    1       -5.457  -0.251   0.288  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  31
ATOM     31  C   LIG    1        1.556   2.768  -1.105  0.00  0.00    +0.136 C 
BRANCH  31  32
ATOM     32  C   LIG    1        0.505   3.803  -1.435  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1       -0.524   3.937  -0.790  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1        0.827   4.610  -2.465  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1        1.678   4.412  -2.896  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 10