REMARK  Name = BDB026355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.252  -0.579   1.640  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.173  -0.199   0.273  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.329   0.825   0.191  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.516   0.407   0.976  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -2.253  -0.654   1.978  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.862  -0.441   2.610  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.684   0.194   0.233  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1       -4.837   0.974   0.446  0.00  0.00    +0.165 A 
ATOM      9  N   LIG    1       -5.999   0.788  -0.260  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -6.014  -0.198  -1.197  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1       -4.928  -1.010  -1.473  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -3.757  -0.808  -0.748  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.296  -0.378  -1.954  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -8.312   0.466  -1.559  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -8.067   1.176  -0.873  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -9.573   0.528  -2.245  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -7.397  -1.209  -2.849  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
BRANCH   8  18
ATOM     18  C   LIG    1       -4.805   2.080   1.493  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1       -3.869   3.045   1.244  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1       -4.557   1.628   2.760  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1       -5.991   2.758   1.589  0.00  0.00    -0.164 F 
ENDBRANCH   8  18
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1        1.425   0.172   2.109  0.00  0.00    +0.121 C 
BRANCH  22  32
ATOM     23  C   LIG    1        7.090  -0.535  -1.033  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        6.748   0.926  -1.001  0.00  0.00    +0.252 A 
ATOM     25  O   LIG    1        7.472   1.773  -1.513  0.00  0.00    -0.268 OA
ATOM     26  N   LIG    1        5.581   1.281  -0.374  0.00  0.00    -0.321 N 
ATOM     27  H   LIG    1        5.371   2.269  -0.360  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1        4.713   0.353   0.211  0.00  0.00    +0.068 A 
ATOM     29  C   LIG    1        5.020  -1.006   0.173  0.00  0.00    +0.088 A 
ATOM     30  N   LIG    1        4.241  -1.966   0.712  0.00  0.00    -0.253 NA
ATOM     31  C   LIG    1        3.102  -1.545   1.312  0.00  0.00    +0.116 A 
ATOM     32  C   LIG    1        2.699  -0.210   1.398  0.00  0.00    -0.013 A 
ATOM     33  C   LIG    1        3.539   0.759   0.835  0.00  0.00    +0.034 A 
ATOM     34  C   LIG    1        6.252  -1.431  -0.481  0.00  0.00    +0.038 A 
BRANCH  23  36
ATOM     35  C   LIG    1        9.594  -0.674  -0.871  0.00  0.00    +0.009 C 
ATOM     36  C   LIG    1        8.363  -0.930  -1.729  0.00  0.00    +0.037 C 
ENDBRANCH  23  36
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 6