REMARK  Name = BDB057332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.382  -0.456  -1.037  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.108  -0.195  -0.506  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        1.008  -0.230  -1.365  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        0.767  -0.536  -2.699  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.964  -0.535  -3.357  0.00  0.00    -0.345 N 
ATOM      6  H   LIG    1        2.058  -0.727  -4.343  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1        2.977  -0.237  -2.482  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1       -0.416  -0.796  -3.281  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        2.418  -0.037  -1.231  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -1.453  -0.738  -2.406  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.204   0.320  -0.061  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        4.358  -0.405   0.271  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        5.107  -0.059   1.399  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        4.701   1.009   2.189  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1        5.420   1.340   3.270  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        3.562   1.740   1.875  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        2.812   1.396   0.749  0.00  0.00    +0.011 A 
ENDBRANCH   9  11
BRANCH   1  21
ATOM     18  C   LIG    1       -4.891  -0.395   1.410  0.00  0.00    +0.158 A 
ATOM     19  C   LIG    1       -3.998   0.670   1.442  0.00  0.00    +0.159 A 
ATOM     20  C   LIG    1       -2.863   0.666   0.641  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -2.585  -0.434  -0.190  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -3.485  -1.519  -0.179  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.634  -1.501   0.618  0.00  0.00    +0.050 A 
BRANCH  18  24
ATOM     24  O   LIG    1       -6.046  -0.354   2.135  0.00  0.00    -0.503 OA
ATOM     25  H   LIG    1       -6.359   0.568   2.091  0.00  0.00    +0.292 HD
ENDBRANCH  18  24
BRANCH  19  26
ATOM     26  O   LIG    1       -4.207   1.724   2.284  0.00  0.00    -0.503 OA
ATOM     27  H   LIG    1       -4.593   1.347   3.097  0.00  0.00    +0.292 HD
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 4