REMARK  Name = BDB048632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.012   2.171  -0.309  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1        2.197   1.886  -1.034  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1        3.216   2.855  -1.085  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.097   4.064  -0.402  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        1.952   4.330   0.338  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        0.920   3.392   0.384  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -0.125   1.163  -0.243  0.00  0.00    +0.265 C 
BRANCH   7   8
ATOM      8  O   LIG    1       -1.319   1.742   0.287  0.00  0.00    -0.487 OA
BRANCH   8  13
ATOM      9  N   LIG    1       -5.774  -1.444   0.914  0.00  0.00    -0.336 N 
ATOM     10  C   LIG    1       -4.760  -0.510   0.834  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.655  -1.157   0.277  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.461  -0.432   0.073  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.405   0.920   0.428  0.00  0.00    +0.122 A 
ATOM     14  C   LIG    1       -3.527   1.540   0.977  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -4.036  -2.504   0.028  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -4.722   0.845   1.191  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -5.344  -2.652   0.428  0.00  0.00    +0.087 A 
BRANCH   9  18
ATOM     18  C   LIG    1       -7.119  -1.189   1.408  0.00  0.00    +0.242 C 
BRANCH  18  20
ATOM     19  O   LIG    1       -9.100   0.013   0.815  0.00  0.00    -0.249 OA
ATOM     20  C   LIG    1       -8.015  -0.432   0.457  0.00  0.00    +0.325 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -7.601  -0.294  -0.821  0.00  0.00    -0.479 OA
ATOM     22  H   LIG    1       -6.715  -0.650  -1.035  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  18
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  23
ATOM     23  C   LIG    1        2.361   0.584  -1.801  0.00  0.00    +0.265 C 
BRANCH  23  24
ATOM     24  O   LIG    1        3.724   0.224  -2.056  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1        4.375  -0.526  -1.117  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        5.535  -1.156  -1.573  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        6.304  -1.945  -0.714  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        5.931  -2.102   0.628  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        4.769  -1.461   1.082  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        4.000  -0.673   0.218  0.00  0.00    +0.046 A 
BRANCH  28  31
ATOM     31  C   LIG    1        6.745  -2.969   1.557  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        6.705  -2.549   2.852  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.065  -3.020   1.224  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        6.312  -4.260   1.569  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 10