REMARK  Name = BDB047174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.660   0.641   0.967  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1        1.884   1.810   1.708  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        2.970   2.564   1.480  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        0.953   2.271   2.635  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.238   1.574   2.830  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.513   0.420   2.084  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        0.451  -0.046   1.172  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        1.007  -0.257  -1.605  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.179  -0.310  -1.221  0.00  0.00    +0.226 C 
ATOM     10  N   LIG    1        2.634   0.169   0.017  0.00  0.00    -0.208 N 
ATOM     11  C   LIG    1        3.977   0.146   0.432  0.00  0.00    +0.226 C 
ATOM     12  O   LIG    1        4.364   0.290   1.592  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.988  -0.131  -0.652  0.00  0.00    +0.097 C 
ATOM     14  C   LIG    1        4.497  -1.269  -1.513  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1        3.220  -0.833  -2.189  0.00  0.00    +0.097 C 
ENDBRANCH   1  10
BRANCH   6  16
ATOM     16  C   LIG    1       -1.806  -0.332   2.318  0.00  0.00    +0.093 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.401  -0.969   1.067  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1       -3.039  -0.118   0.030  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -3.541  -0.763  -1.099  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -4.155  -0.033  -2.124  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1       -4.268   1.352  -2.017  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.770   2.003  -0.889  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.426  -2.226  -1.202  0.00  0.00    +0.272 A 
ATOM     24  O   LIG    1       -3.860  -2.837  -2.172  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -2.817  -2.860  -0.146  0.00  0.00    -0.242 N 
ATOM     26  H   LIG    1       -2.728  -3.870  -0.202  0.00  0.00    +0.192 HD
ATOM     27  C   LIG    1       -3.157   1.273   0.135  0.00  0.00    +0.010 A 
ATOM     28  N   LIG    1       -2.309  -2.263   0.964  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 3