REMARK  Name = BDB031395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.238  -1.101   0.066  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.572  -2.317   0.568  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.345  -2.691  -0.297  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.670  -1.631  -0.471  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.052  -0.285  -0.409  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.437  -0.243  -0.825  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.372  -0.632   0.395  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.755  -0.013  -0.639  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.413  -0.188  -0.719  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.832   0.417  -1.769  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.618  -0.953   0.164  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.330  -1.559   1.211  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.712  -1.407   1.333  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.803   0.581  -0.628  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.388   0.378  -0.479  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.746   0.694  -1.202  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.856  -0.446   0.490  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.514  -1.000   1.362  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.769  -1.769   0.494  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.940  -0.858   0.188  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -3.350   0.118   1.109  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.432   0.951   0.811  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1       -5.125   0.825  -0.407  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -6.238   1.731  -0.638  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.132   1.828  -1.808  0.00  0.00    +0.196 C 
ATOM     26  O   LIG    1       -8.057   2.900  -1.494  0.00  0.00    -0.370 OA
ATOM     27  C   LIG    1       -7.731   3.433  -0.187  0.00  0.00    +0.201 C 
ATOM     28  C   LIG    1       -6.583   2.639   0.269  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -5.882   2.794   1.545  0.00  0.00    +0.255 A 
ATOM     30  O   LIG    1       -6.213   3.635   2.371  0.00  0.00    -0.268 OA
ATOM     31  C   LIG    1       -4.711  -0.148  -1.315  0.00  0.00    +0.133 A 
ATOM     32  F   LIG    1       -5.345  -0.299  -2.487  0.00  0.00    -0.205 F 
ATOM     33  N   LIG    1       -4.832   1.928   1.746  0.00  0.00    -0.322 N 
ATOM     34  H   LIG    1       -4.342   2.028   2.624  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1       -3.634  -0.983  -1.027  0.00  0.00    +0.044 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4