REMARK  Name = BDB054791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.915  -0.080   1.215  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -2.141  -0.789   2.402  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1       -3.193  -1.615   2.515  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -1.241  -0.731   3.463  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.082   0.034   3.350  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.192   0.736   2.167  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -0.741   0.685   1.116  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1       -4.641   0.422   1.514  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -4.215  -0.009   0.438  0.00  0.00    +0.226 C 
ATOM     10  N   LIG    1       -2.854  -0.149   0.126  0.00  0.00    -0.208 N 
ATOM     11  C   LIG    1       -2.351  -0.290  -1.177  0.00  0.00    +0.226 C 
ATOM     12  O   LIG    1       -1.161  -0.427  -1.470  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.378  -0.267  -2.283  0.00  0.00    +0.097 C 
ATOM     14  C   LIG    1       -4.613  -1.016  -1.843  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1       -5.214  -0.284  -0.667  0.00  0.00    +0.097 C 
ENDBRANCH   1  10
BRANCH   6  16
ATOM     16  C   LIG    1        1.453   1.572   2.077  0.00  0.00    +0.094 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.041   1.697   0.677  0.00  0.00    +0.087 A 
ATOM     18  C   LIG    1        2.737   0.508   0.069  0.00  0.00    +0.059 A 
ATOM     19  N   LIG    1        2.811  -0.714   0.733  0.00  0.00    -0.342 N 
ATOM     20  H   LIG    1        2.024  -0.879   1.359  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        3.201  -1.913  -0.004  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        4.361  -1.578  -0.937  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1        4.005  -0.408  -1.863  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        3.273   0.693  -1.147  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        3.139   1.995  -1.836  0.00  0.00    +0.270 A 
ATOM     26  O   LIG    1        3.614   2.189  -2.950  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        2.448   2.966  -1.160  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1        2.348   3.866  -1.616  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1        1.907   2.847   0.083  0.00  0.00    -0.174 NA
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 3