REMARK  Name = BDB038553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.343   2.247   0.955  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.498   1.081   0.641  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        3.623   0.391   0.175  0.00  0.00    -0.263 N 
ATOM      4  C   LIG    1        3.322  -1.014  -0.061  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1        1.880  -1.133   0.313  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        1.045  -2.247   0.290  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -0.291  -2.061   0.699  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.771  -0.798   1.122  0.00  0.00    -0.032 A 
ATOM      9  C   LIG    1        0.094   0.306   1.121  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        1.403   0.106   0.721  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        4.917   0.936  -0.058  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        5.200   2.289   0.168  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        6.478   2.813  -0.066  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        7.498   1.991  -0.531  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.240   0.645  -0.762  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.962   0.123  -0.529  0.00  0.00    +0.023 A 
ENDBRANCH   3  11
BRANCH   6  17
ATOM     17  C   LIG    1        1.556  -3.589  -0.159  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        0.619  -4.575  -0.122  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        2.027  -3.562  -1.435  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        2.593  -4.026   0.608  0.00  0.00    -0.166 F 
ENDBRANCH   6  17
BRANCH   8  21
ATOM     21  C   LIG    1       -2.217  -0.624   1.526  0.00  0.00    +0.116 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.017  -0.216   0.379  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1       -2.978  -0.929  -0.351  0.00  0.00    +0.122 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.420   0.002   0.745  0.00  0.00    +0.116 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.279   0.157  -0.523  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1       -5.077   1.490  -1.302  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1       -6.604   1.540  -1.497  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -6.737   0.634  -0.259  0.00  0.00    +0.036 C 
BRANCH  25  29
ATOM     29  O   LIG    1       -5.168  -1.042  -1.337  0.00  0.00    -0.387 OA
ATOM     30  H   LIG    1       -5.638  -1.730  -0.837  0.00  0.00    +0.210 HD
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 7