REMARK  Name = BDB001131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.760   0.977  -0.445  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1   9
ATOM      2  O   LIG    1        5.839  -3.480  -1.471  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1        5.209  -2.465  -1.203  0.00  0.00    +0.264 A 
ATOM      4  C   LIG    1        5.611  -1.520  -0.152  0.00  0.00    +0.098 A 
ATOM      5  C   LIG    1        4.814  -0.391   0.087  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        5.225   0.503   1.091  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        6.388   0.274   1.836  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        7.161  -0.852   1.586  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1        3.629  -0.180  -0.688  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1        3.262  -1.063  -1.696  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        2.271  -0.925  -2.410  0.00  0.00    -0.246 OA
ATOM     12  C   LIG    1        6.771  -1.744   0.594  0.00  0.00    +0.138 A 
ATOM     13  F   LIG    1        7.547  -2.817   0.382  0.00  0.00    -0.205 F 
ATOM     14  N   LIG    1        4.069  -2.146  -1.888  0.00  0.00    -0.274 N 
ATOM     15  H   LIG    1        3.788  -2.784  -2.617  0.00  0.00    +0.173 HD
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1        1.847   0.815   0.779  0.00  0.00    +0.022 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.715  -0.205   0.618  0.00  0.00    +0.002 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.349   0.125  -0.439  0.00  0.00    +0.004 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.029   1.508  -0.317  0.00  0.00    -0.007 C 
ATOM     20  C   LIG    1       -1.980   1.757  -1.503  0.00  0.00    +0.008 C 
ATOM     21  C   LIG    1       -3.197   0.825  -1.490  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1       -3.809   0.666  -0.117  0.00  0.00    -0.044 C 
ATOM     23  C   LIG    1       -3.171   1.065   0.999  0.00  0.00    -0.023 C 
ATOM     24  C   LIG    1       -1.809   1.698   0.997  0.00  0.00    +0.031 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.148   0.043  -0.037  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1       -5.430  -1.141  -0.732  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -6.700  -1.723  -0.668  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.705  -1.124   0.087  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.443   0.056   0.779  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.173   0.636   0.716  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6