REMARK  Name = BDB055720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.367   0.068   0.039  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.220  -1.075   0.820  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.805  -1.200   1.676  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.134  -2.118   0.720  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.222  -2.008  -0.150  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.413  -0.845  -0.913  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.468   0.188  -0.820  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.054   2.313   0.364  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.559   1.209   0.160  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1       -1.930   1.013   0.036  0.00  0.00    -0.291 N 
ATOM     11  C   LIG    1       -2.551  -0.124  -0.655  0.00  0.00    +0.132 C 
ATOM     12  C   LIG    1       -3.808  -0.589   0.106  0.00  0.00    +0.102 C 
ATOM     13  N   LIG    1       -4.423  -1.762  -0.543  0.00  0.00    -0.308 NA
ATOM     14  H   LIG    1       -3.767  -2.541  -0.494  0.00  0.00    +0.123 HD
ATOM     15  C   LIG    1       -5.646  -2.127   0.183  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -6.711  -1.028   0.093  0.00  0.00    +0.050 C 
ATOM     17  C   LIG    1       -6.155   0.356   0.320  0.00  0.00    -0.041 A 
ATOM     18  C   LIG    1       -7.023   1.437   0.514  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -6.519   2.729   0.642  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -5.146   2.956   0.557  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -4.256   1.890   0.355  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1       -4.767   0.580   0.245  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -2.779   2.187   0.213  0.00  0.00    +0.143 C 
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1        3.597  -0.711  -1.845  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.931  -1.014  -1.174  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1        5.565  -0.007  -0.284  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        6.778  -0.356   0.308  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        7.439   0.534   1.163  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        6.880   1.783   1.429  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.668   2.139   0.841  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.362  -1.676   0.024  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1        8.427  -2.026   0.520  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        6.646  -2.485  -0.824  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1        7.037  -3.398  -1.034  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1        5.010   1.250  -0.015  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1        5.460  -2.179  -1.414  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 3