REMARK  Name = BDB054815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868  -0.220   2.727  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.688   1.009   3.351  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.725   1.672   3.884  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.574   1.594   3.393  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.664   0.942   2.811  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.499  -0.308   2.194  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.223  -0.890   2.160  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        2.717  -1.181   3.739  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.207  -0.826   2.681  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.810  -1.004   1.438  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        4.100  -1.696   1.393  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.397  -2.302   0.017  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        4.297  -1.321  -1.069  0.00  0.00    -0.291 N 
ATOM     14  C   LIG    1        5.042  -1.524  -2.238  0.00  0.00    +0.320 C 
ATOM     15  O   LIG    1        5.717  -2.551  -2.378  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        3.424  -0.163  -0.840  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        2.306  -0.447   0.175  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1        4.973  -0.440  -3.341  0.00  0.00    +0.470 C 
ATOM     19  F   LIG    1        5.174   0.817  -2.848  0.00  0.00    -0.162 F 
ATOM     20  F   LIG    1        5.896  -0.613  -4.327  0.00  0.00    -0.162 F 
ATOM     21  F   LIG    1        3.755  -0.414  -3.955  0.00  0.00    -0.162 F 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -2.662  -1.003   1.525  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.706  -0.703   0.031  0.00  0.00    +0.087 A 
ATOM     24  C   LIG    1       -3.519   0.465  -0.465  0.00  0.00    +0.059 A 
ATOM     25  N   LIG    1       -4.330   1.216   0.382  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1       -4.715   0.693   1.164  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -5.278   2.180  -0.173  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -4.631   2.914  -1.343  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -4.111   1.924  -2.392  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -3.400   0.753  -1.772  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -2.577  -0.099  -2.658  0.00  0.00    +0.270 A 
ATOM     32  O   LIG    1       -2.467   0.134  -3.857  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -1.962  -1.168  -2.064  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -1.400  -1.767  -2.660  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -1.985  -1.467  -0.738  0.00  0.00    -0.174 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4