REMARK  Name = BDB061776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.822   0.431   0.721  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.241   1.525   1.469  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.595   1.882   2.588  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.335   2.277   1.056  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.032   1.913  -0.100  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.654   0.780  -0.841  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.529   0.048  -0.426  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        5.731   1.304   0.638  0.00  0.00    +0.218 C 
ATOM      9  N   LIG    1        4.421   0.847   0.628  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        3.961  -0.557   0.640  0.00  0.00    +0.090 C 
ATOM     11  C   LIG    1        3.683  -1.063  -0.783  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        2.712  -0.730   1.534  0.00  0.00    +0.130 C 
ATOM     13  N   LIG    1        1.596   0.130   1.130  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1        0.309  -0.399   1.161  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        0.054  -1.557   1.485  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        1.948   1.428   0.542  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        3.386   1.873   0.837  0.00  0.00    +0.127 C 
ATOM     18  O   LIG    1        5.960   2.522   0.636  0.00  0.00    -0.275 OA
BRANCH   8  20
ATOM     19  C   LIG    1        7.095  -0.243   2.121  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1        6.939   0.364   0.730  0.00  0.00    +0.069 C 
ATOM     21  C   LIG    1        7.077  -0.658  -0.388  0.00  0.00    +0.017 C 
ENDBRANCH   8  20
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  C   LIG    1       -3.413   0.365  -2.087  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.859   0.259  -1.892  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -5.437  -0.867  -1.225  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -6.824  -0.923  -1.044  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -7.437  -2.003  -0.391  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -6.660  -3.050   0.092  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.280  -3.015  -0.079  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -7.658   0.176  -1.551  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -8.876   0.188  -1.411  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -6.994   1.187  -2.186  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -7.555   1.952  -2.528  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -4.673  -1.935  -0.733  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -5.646   1.299  -2.365  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -5.198   2.303  -2.918  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4