REMARK  Name = BDB031365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.804   0.542  -0.208  0.00  0.00    +0.053 A 
ATOM      2  C   LIG    1        2.795  -0.399   0.029  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        2.639  -1.845   0.351  0.00  0.00    +0.228 C 
ATOM      4  O   LIG    1        3.757  -2.580  -0.167  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        4.834  -2.488   0.748  0.00  0.00    -0.190 N 
ATOM      6  H   LIG    1        5.240  -3.389   0.981  0.00  0.00    +0.183 HD
ATOM      7  C   LIG    1        5.791  -1.529   0.500  0.00  0.00    +0.267 C 
ATOM      8  C   LIG    1        5.410  -0.186  -0.017  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        6.436   0.728  -0.315  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        6.133   2.020  -0.721  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1        7.133   2.869  -0.996  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        4.820   2.467  -0.839  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1        3.805   1.552  -0.542  0.00  0.00    +0.051 A 
ATOM     14  O   LIG    1        6.963  -1.756   0.801  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        4.065   0.239  -0.146  0.00  0.00    +0.018 A 
ATOM     16  N   LIG    1        2.439   1.710  -0.561  0.00  0.00    -0.354 N 
ATOM     17  H   LIG    1        1.964   2.571  -0.791  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1       -2.478   0.237  -0.016  0.00  0.00    -0.028 A 
ATOM     19  C   LIG    1       -1.834   0.730  -1.165  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -0.440   0.826  -1.233  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        0.349   0.440  -0.146  0.00  0.00    -0.001 A 
ATOM     22  C   LIG    1       -0.279  -0.034   1.008  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -1.674  -0.128   1.075  0.00  0.00    +0.006 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -4.537   1.553   0.454  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1       -4.005   0.165   0.047  0.00  0.00    +0.042 C 
ATOM     26  N   LIG    1       -4.588  -0.243  -1.256  0.00  0.00    -0.307 NA
ATOM     27  H   LIG    1       -4.031  -1.028  -1.601  0.00  0.00    +0.123 HD
ATOM     28  C   LIG    1       -5.939  -0.746  -0.983  0.00  0.00    +0.082 C 
ATOM     29  C   LIG    1       -5.941  -1.237   0.454  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -4.543  -0.937   0.972  0.00  0.00    +0.028 C 
ENDBRANCH  18  25
ENDBRANCH   1  21
TORSDOF 2