REMARK  Name = BDB017112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.417  -0.073  -2.469  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1        0.814  -0.060  -1.303  0.00  0.00    +0.167 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.105  -0.415  -0.137  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -1.572  -0.116  -0.508  0.00  0.00    +0.095 C 
ATOM      5  N   LIG    1       -2.452  -0.725   0.497  0.00  0.00    -0.301 NA
ATOM      6  C   LIG    1       -2.411  -2.196   0.405  0.00  0.00    +0.084 C 
ATOM      7  C   LIG    1       -1.077  -2.753  -0.111  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1        0.102  -1.877   0.296  0.00  0.00    +0.014 C 
BRANCH   5   9
ATOM      9  C   LIG    1       -3.837  -0.248   0.417  0.00  0.00    +0.088 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.944   1.164   0.920  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -3.709   1.484   2.375  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -5.095   1.577   1.804  0.00  0.00    +0.005 C 
ENDBRANCH   9  10
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  C   LIG    1        2.244   0.300  -1.039  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        3.027   0.732  -2.119  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.368   1.083  -1.936  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        4.954   1.012  -0.664  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        4.173   0.568   0.413  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        2.830   0.218   0.230  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  C   LIG    1        6.408   1.367  -0.465  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1        6.861   2.293  -1.355  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.226   0.287  -0.598  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.665   1.882   0.770  0.00  0.00    -0.166 F 
ENDBRANCH  16  19
ENDBRANCH   2  13
TORSDOF 5