REMARK  Name = BDB053888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.563   0.861   0.517  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1       -0.248   0.248  -0.435  0.00  0.00    +0.224 C 
ATOM      3  O   LIG    1       -0.363   0.746  -1.567  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.025  -1.050  -0.184  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -2.526  -0.831   0.098  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -3.324  -0.434  -1.118  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1       -4.090   0.690  -0.819  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -4.938   1.264  -1.754  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -4.999   0.686  -3.018  0.00  0.00    +0.159 A 
ATOM     10  C   LIG    1       -4.232  -0.440  -3.327  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -4.311  -0.990  -4.547  0.00  0.00    -0.202 F 
ATOM     12  F   LIG    1       -5.813   1.217  -3.941  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -3.851   1.093   0.586  0.00  0.00    +0.196 C 
ATOM     14  C   LIG    1       -3.388  -1.014  -2.379  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1       -2.720   0.297   0.996  0.00  0.00    -0.363 OA
ATOM     16  C   LIG    1       -3.155  -2.061   0.791  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -2.490  -3.358   0.341  0.00  0.00    +0.084 C 
ATOM     18  N   LIG    1       -1.061  -3.405   0.653  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1       -0.577  -3.983  -0.035  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -0.425  -2.084   0.763  0.00  0.00    +0.096 C 
ENDBRANCH   2   4
BRANCH   1  21
ATOM     21  C   LIG    1        0.732   0.445   1.890  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        0.904   1.430   3.029  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -0.344   0.621   2.933  0.00  0.00    +0.024 C 
ENDBRANCH   1  21
BRANCH   1  24
ATOM     24  C   LIG    1        1.407   1.982   0.059  0.00  0.00    +0.143 C 
BRANCH  24  31
ATOM     25  C   LIG    1        2.941  -0.049  -1.559  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        3.629   0.774  -0.496  0.00  0.00    -0.034 A 
ATOM     27  C   LIG    1        5.003   0.560  -0.204  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1        5.635   1.354   0.771  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        4.929   2.330   1.465  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        3.576   2.517   1.207  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        2.901   1.740   0.247  0.00  0.00    -0.027 A 
BRANCH  27  32
ATOM     32  C   LIG    1        5.825  -0.496  -0.917  0.00  0.00    +0.418 C 
ATOM     33  F   LIG    1        6.046  -0.194  -2.227  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        5.237  -1.726  -0.904  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        7.062  -0.682  -0.372  0.00  0.00    -0.166 F 
ENDBRANCH  27  32
ENDBRANCH  24  31
ENDBRANCH   1  24
TORSDOF 5