REMARK  Name = BDB009650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.641   1.160   1.005  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1        2.391   0.631   0.260  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1        1.883  -0.629   0.981  0.00  0.00    +0.229 C 
ATOM      4  O   LIG    1        2.724  -1.394   1.455  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        0.506  -0.829   1.015  0.00  0.00    -0.232 N 
ATOM      6  C   LIG    1       -0.472  -0.078   0.191  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1        0.014   1.319  -0.306  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        1.325   1.735   0.360  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.016  -0.889  -0.998  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -2.299  -0.596  -1.497  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -2.823  -1.295  -2.587  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.071  -2.299  -3.190  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -2.715  -3.162  -4.532  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.803  -2.611  -2.709  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.279  -1.911  -1.618  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -1.038   2.415  -0.139  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -1.547   3.071  -1.272  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -2.512   4.070  -1.137  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -3.127   4.856  -2.539  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -2.982   4.433   0.121  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.484   3.793   1.254  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -1.519   2.791   1.126  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1       -0.051  -1.834   1.869  0.00  0.00    +0.225 A 
ATOM     24  N   LIG    1       -1.385  -2.029   1.830  0.00  0.00    -0.222 NA
ATOM     25  C   LIG    1       -1.911  -2.973   2.633  0.00  0.00    +0.116 A 
ATOM     26  C   LIG    1       -1.168  -3.728   3.501  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        0.173  -3.452   3.498  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        0.737  -2.519   2.709  0.00  0.00    -0.222 NA
ENDBRANCH   5  23
BRANCH   2  29
ATOM     29  C   LIG    1        2.755   0.312  -1.205  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.833  -0.731  -1.349  0.00  0.00    +0.306 C 
ATOM     31  O   LIG    1        5.035  -0.528  -1.347  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        3.334  -1.972  -1.487  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1        4.124  -2.552  -1.444  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 6