REMARK  Name = BDB008488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.185  -3.495   0.703  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        0.581  -2.446   0.559  0.00  0.00    +0.339 C 
ATOM      3  C   LIG    1        1.070  -1.131   0.965  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        0.079  -0.281   0.700  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -1.083  -0.971   0.064  0.00  0.00    +0.245 C 
ATOM      6  O   LIG    1       -0.668  -2.337   0.038  0.00  0.00    -0.425 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.044   1.114   0.957  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        0.245   2.179   0.033  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        0.144   3.369   0.758  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        0.295   4.630   0.168  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        0.564   4.671  -1.204  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1        0.678   3.506  -1.956  0.00  0.00    +0.021 A 
ATOM     13 CL   LIG    1        0.760   6.199  -1.974  0.00  0.00    -0.083 Cl
ATOM     14  N   LIG    1       -0.111   3.029   2.068  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1       -0.228   3.695   2.820  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        0.522   2.254  -1.349  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -0.160   1.665   2.203  0.00  0.00    +0.092 A 
ENDBRANCH   4   7
BRANCH   5  18
ATOM     18  O   LIG    1       -1.229  -0.514  -1.272  0.00  0.00    -0.351 OA
ATOM     19  H   LIG    1       -1.994  -0.993  -1.633  0.00  0.00    +0.214 HD
ENDBRANCH   5  18
BRANCH   3  20
ATOM     20  C   LIG    1        2.406  -0.932   1.581  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.496  -0.737   0.551  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1        4.159  -1.843  -0.001  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.144  -1.664  -0.975  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.466  -0.379  -1.406  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        6.678  -0.158  -2.607  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        4.811   0.729  -0.873  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.827   0.550   0.102  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
BRANCH   5  28
ATOM     28  C   LIG    1       -2.392  -0.826   0.878  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.587  -1.540   0.274  0.00  0.00    -0.041 A 
ATOM     30  C   LIG    1       -4.538  -0.821  -0.468  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -5.631  -1.477  -1.036  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -5.773  -2.849  -0.863  0.00  0.00    +0.123 A 
ATOM     33  F   LIG    1       -6.822  -3.477  -1.409  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -4.842  -3.577  -0.134  0.00  0.00    +0.038 A 
ATOM     35  C   LIG    1       -3.748  -2.924   0.436  0.00  0.00    +0.006 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6