REMARK  Name = BDB063498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.971   2.794  -1.063  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.365   2.953  -2.387  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.567   3.551  -3.281  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.596   2.463  -2.814  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.440   1.809  -1.912  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.055   1.638  -0.574  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.821   2.158  -0.151  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.499   4.551  -0.702  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.322   3.340  -0.614  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.262   2.464  -0.076  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        1.176   0.998  -0.130  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        2.552   0.319  -0.171  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        3.438   0.763   0.908  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1        4.473   0.007   1.435  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        5.163   0.369   2.381  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        3.195   2.097   1.462  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        2.497   3.034   0.470  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1        4.729  -1.322   0.814  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1        6.152  -1.800   0.630  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        5.331  -1.432  -0.568  0.00  0.00    +0.013 C 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1       -3.951   0.918   0.408  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.282  -0.321   0.995  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -3.321  -1.612   0.260  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1       -2.665  -2.696   0.844  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -2.655  -3.951   0.219  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -3.305  -4.123  -1.002  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -3.954  -3.037  -1.581  0.00  0.00    +0.118 A 
ATOM     28  C   LIG    1       -1.972  -2.511   2.130  0.00  0.00    +0.272 A 
ATOM     29  O   LIG    1       -1.369  -3.432   2.668  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.042  -1.253   2.677  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1       -1.577  -1.108   3.571  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1       -3.968  -1.788  -0.965  0.00  0.00    +0.056 A 
ATOM     33  N   LIG    1       -2.670  -0.176   2.134  0.00  0.00    -0.175 NA
BRANCH  27  34
ATOM     34  O   LIG    1       -4.599  -3.152  -2.776  0.00  0.00    -0.507 OA
ATOM     35  H   LIG    1       -4.561  -4.077  -3.075  0.00  0.00    +0.292 HD
ENDBRANCH  27  34
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5