REMARK  Name = BDB038328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.585  -1.429  -0.588  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.481  -0.868   0.085  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.722  -0.574  -0.574  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.804  -0.873  -1.942  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.276  -1.435  -2.627  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.462  -1.712  -1.953  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.828   0.007   0.108  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        1.870   0.397   1.451  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        1.025   0.358   2.326  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.215   0.930   1.700  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        3.742   1.434   2.874  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.062   1.883   2.848  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.816   1.819   1.660  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.266   1.304   0.471  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        3.946   0.860   0.519  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        3.096   0.272  -0.560  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.061   1.230  -0.804  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        7.328   1.713  -0.692  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        6.181  -0.046  -1.262  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.477   1.932  -1.814  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1       -4.067  -1.090  -0.155  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -2.837  -1.724   0.136  0.00  0.00    -0.009 A 
ATOM     23  C   LIG    1       -2.819  -2.700   1.152  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -3.978  -3.048   1.849  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.186  -2.430   1.542  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.231  -1.457   0.545  0.00  0.00    +0.011 A 
BRANCH  21  29
ATOM     27  C   LIG    1       -2.794   1.924  -0.092  0.00  0.00    +0.049 C 
ATOM     28  C   LIG    1       -3.627   1.281  -1.132  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1       -4.182  -0.035  -1.158  0.00  0.00    +0.117 A 
ATOM     30  N   LIG    1       -4.908  -0.224  -2.272  0.00  0.00    -0.078 NA
ATOM     31  O   LIG    1       -4.809   0.946  -2.996  0.00  0.00    -0.362 OA
ATOM     32  C   LIG    1       -4.049   1.834  -2.317  0.00  0.00    +0.234 A 
ENDBRANCH  21  29
ENDBRANCH   1  22
TORSDOF 4