REMARK  Name = BDB007304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.452  -0.189  -1.727  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1       -4.084  -0.001  -1.585  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -3.476   1.240  -1.825  0.00  0.00    +0.071 A 
ATOM      4  N   LIG    1       -2.083   1.238  -1.592  0.00  0.00    -0.294 N 
ATOM      5  H   LIG    1       -1.577   1.615  -2.396  0.00  0.00    +0.187 HD
ATOM      6  N   LIG    1       -1.799  -0.138  -1.361  0.00  0.00    -0.248 N 
ATOM      7  C   LIG    1       -4.219   2.341  -2.206  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -5.589   2.171  -2.356  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -6.340   3.216  -2.727  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -2.970  -0.879  -1.210  0.00  0.00    +0.276 A 
ATOM     11  O   LIG    1       -3.069  -2.026  -0.813  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1       -6.203   0.935  -2.126  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.551  -0.495  -0.691  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1        0.677   0.071  -1.395  0.00  0.00    +0.042 C 
ATOM     15  C   LIG    1        1.954  -0.341  -0.661  0.00  0.00    +0.087 C 
ATOM     16  N   LIG    1        1.954   0.093   0.751  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1        0.774  -0.453   1.449  0.00  0.00    +0.087 C 
ATOM     18  C   LIG    1       -0.543  -0.068   0.775  0.00  0.00    +0.042 C 
BRANCH  16  19
ATOM     19  C   LIG    1        3.242  -0.261   1.427  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1        3.211  -0.040   2.961  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1        4.555  -0.317   3.632  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1        5.673   0.509   3.018  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1        5.750   0.279   1.518  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        4.414   0.560   0.831  0.00  0.00    +0.019 C 
ENDBRANCH  16  19
ENDBRANCH   6  13
BRANCH   1  28
ATOM     25  N   LIG    1       -5.588  -2.562  -1.061  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -4.595  -2.619  -0.840  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -6.139  -3.400  -0.934  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -6.216  -1.449  -1.521  0.00  0.00    +0.242 C 
ATOM     29  O   LIG    1       -7.419  -1.492  -1.762  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 3