REMARK  Name = BDB009594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.457   1.562  -0.858  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.556   0.872  -0.376  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        0.231   1.277  -0.407  0.00  0.00    -0.293 N 
ATOM      4  C   LIG    1       -0.849   0.630   0.359  0.00  0.00    +0.114 C 
ATOM      5  C   LIG    1       -0.574  -0.853   0.726  0.00  0.00    +0.045 C 
ATOM      6  C   LIG    1        0.874  -1.006   1.206  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        1.867  -0.529   0.146  0.00  0.00    +0.083 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.222   1.429   1.615  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -2.564   1.445   2.038  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -2.946   2.150   3.183  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.989   2.843   3.920  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.458   3.711   5.329  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.655   2.837   3.521  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.273   2.133   2.376  0.00  0.00    +0.007 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1       -0.911  -1.886  -0.350  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -0.909  -1.601  -1.724  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -1.215  -2.595  -2.658  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -1.203  -2.213  -4.337  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -1.522  -3.887  -2.245  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -1.521  -4.190  -0.886  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.217  -3.200   0.051  0.00  0.00    +0.004 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1       -0.094   2.534  -1.086  0.00  0.00    +0.112 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -0.419   2.269  -2.526  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -1.828   1.961  -2.970  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -1.206   3.284  -3.317  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   7  26
ATOM     26  C   LIG    1        3.320  -0.576   0.658  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.790  -1.962   0.904  0.00  0.00    +0.149 A 
ATOM     28  N   LIG    1        4.448  -2.719  -0.023  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1        4.725  -2.499  -0.972  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1        4.726  -3.925   0.487  0.00  0.00    -0.047 NA
ATOM     31  N   LIG    1        4.250  -3.896   1.724  0.00  0.00    -0.023 NA
ATOM     32  N   LIG    1        3.668  -2.682   2.000  0.00  0.00    -0.114 NA
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6