REMARK  Name = BDB038499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.470  -0.151   0.543  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.789  -0.604   0.123  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -1.869  -0.741   1.018  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -1.669  -0.423   2.367  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -0.429   0.031   2.806  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.628   0.166   1.902  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        0.669  -0.726  -2.458  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.549  -0.303  -1.731  0.00  0.00    +0.251 C 
ATOM      9  N   LIG    1        1.559  -0.011  -0.363  0.00  0.00    -0.263 N 
ATOM     10  C   LIG    1        2.865   0.471   0.066  0.00  0.00    +0.150 C 
ATOM     11  C   LIG    1        3.676   0.457  -1.190  0.00  0.00    -0.006 A 
ATOM     12  C   LIG    1        5.005   0.818  -1.396  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1        5.510   0.700  -2.705  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.703   0.234  -3.760  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.374  -0.123  -3.533  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        2.892  -0.001  -2.243  0.00  0.00    +0.042 A 
BRANCH  12  17
ATOM     17  C   LIG    1        5.857   1.315  -0.260  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        7.131   1.625  -0.620  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        5.343   2.437   0.316  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.959   0.400   0.744  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -3.179  -1.228   0.547  0.00  0.00    -0.006 A 
ATOM     22  C   LIG    1       -4.334  -0.413   0.475  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -5.558  -0.994   0.086  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1       -5.644  -2.343  -0.257  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.507  -3.139  -0.211  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.290  -2.588   0.189  0.00  0.00    +0.009 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.340   1.014   0.783  0.00  0.00    +0.249 A 
ATOM     28  O   LIG    1       -3.234   1.749   0.439  0.00  0.00    -0.423 OA
ATOM     29  C   LIG    1       -3.606   2.999   0.821  0.00  0.00    +0.332 A 
ATOM     30  N   LIG    1       -4.813   3.056   1.330  0.00  0.00    -0.116 NA
ATOM     31  N   LIG    1       -5.300   1.764   1.292  0.00  0.00    -0.108 NA
ENDBRANCH  22  27
ENDBRANCH   3  21
TORSDOF 4