REMARK  Name = BDB059859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.049   1.008  -1.622  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -0.405   2.327  -1.450  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.677   3.095  -2.595  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.557   2.544  -3.869  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -0.158   1.220  -4.022  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.141   0.449  -2.902  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.332   0.289  -0.492  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.519  -0.506  -0.575  0.00  0.00    +0.229 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.089  -0.616   0.834  0.00  0.00    +0.041 C 
BRANCH   9  10
ATOM     10  C   LIG    1        3.388  -1.428   0.881  0.00  0.00    +0.007 C 
BRANCH  10  12
ATOM     11  C   LIG    1        2.261  -3.708   0.950  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1        3.266  -2.774   1.628  0.00  0.00    -0.003 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.629  -3.484   1.715  0.00  0.00    +0.123 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.641  -2.704   2.510  0.00  0.00    +0.305 C 
ATOM     15  O   LIG    1        6.577  -2.062   2.054  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        5.413  -2.750   3.833  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1        6.123  -2.188   4.208  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -0.535   2.920  -0.066  0.00  0.00    +0.163 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.804   3.608   0.153  0.00  0.00    -0.310 N 
ATOM     20  C   LIG    1       -3.025   2.998   0.411  0.00  0.00    +0.142 A 
ATOM     21  N   LIG    1       -3.938   3.904   0.726  0.00  0.00    -0.234 NA
ATOM     22  C   LIG    1       -3.318   5.120   0.634  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1       -2.007   4.953   0.284  0.00  0.00    +0.129 A 
ATOM     24 CL   LIG    1       -0.782   6.098   0.031  0.00  0.00    -0.062 Cl
BRANCH  20  25
ATOM     25  C   LIG    1       -3.277   1.558   0.365  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1       -3.413   0.896  -0.860  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -3.665  -0.478  -0.900  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -3.806  -1.211   0.286  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1       -3.698  -0.538   1.513  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1       -3.436   0.836   1.551  0.00  0.00    +0.012 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -4.107  -2.688   0.227  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       -3.262  -3.365  -0.601  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -4.018  -3.313   1.437  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -5.364  -2.946  -0.233  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  20  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 12