REMARK  Name = BDB047952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.384  -2.300   1.650  0.00  0.00    -0.290 OA
ATOM      2  C   LIG    1       -1.526  -1.406   0.827  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1       -0.452  -0.864  -0.081  0.00  0.00    +0.228 C 
ATOM      4  C   LIG    1       -0.484   0.635   0.021  0.00  0.00    +0.278 C 
ATOM      5  O   LIG    1        0.795   0.986  -0.435  0.00  0.00    -0.462 OA
ATOM      6  C   LIG    1        1.542  -0.088  -0.042  0.00  0.00    +0.219 C 
ATOM      7  C   LIG    1       -1.765   1.083  -0.659  0.00  0.00    +0.207 C 
ATOM      8  O   LIG    1       -1.830   1.974  -1.495  0.00  0.00    -0.288 OA
ATOM      9  C   LIG    1       -2.987   0.378  -0.177  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -4.249   0.908  -0.456  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -5.389   0.278   0.049  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.271  -0.875   0.829  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.012  -1.415   1.102  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        0.936  -1.191   0.294  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1       -2.868  -0.796   0.592  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   6  16
ATOM     16  C   LIG    1        2.996   0.147  -0.019  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        3.548   1.361  -0.455  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        4.932   1.549  -0.419  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        5.754   0.529   0.049  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        7.079   0.714   0.082  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        5.220  -0.679   0.483  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        3.837  -0.872   0.449  0.00  0.00    +0.016 A 
ENDBRANCH   6  16
TORSDOF 1