REMARK  Name = BDB055836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.848   1.497  -0.357  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.429   1.379   0.199  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.850   0.189   0.816  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1       -0.040  -0.893   0.863  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.321  -0.785   0.309  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -1.722   0.412  -0.301  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.222  -1.916   0.358  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.442  -1.926   0.998  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -4.218  -0.941   1.776  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1       -4.011  -3.153   0.852  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1       -3.171  -3.972   0.121  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1       -2.099  -3.226  -0.174  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1       -0.990  -3.801  -0.969  0.00  0.00    +0.070 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  O   LIG    1       -1.112   2.715  -0.919  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.427   4.281  -2.141  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -2.374   2.878  -1.565  0.00  0.00    +0.225 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1        2.241   0.071   1.413  0.00  0.00    +0.175 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.342   0.036   0.366  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        4.148   1.157   0.102  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        5.142   1.106  -0.877  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        5.334  -0.065  -1.598  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1        6.287  -0.114  -2.538  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.550  -1.187  -1.360  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        3.556  -1.138  -0.381  0.00  0.00    +0.009 A 
ENDBRANCH  17  18
BRANCH  17  25
ATOM     25  O   LIG    1        2.455   1.127   2.352  0.00  0.00    -0.383 OA
ATOM     26  H   LIG    1        1.586   1.373   2.710  0.00  0.00    +0.211 HD
ENDBRANCH  17  25
ENDBRANCH   3  17
TORSDOF 6