REMARK  Name = BDB033819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.184   1.211   2.062  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1       -0.534   0.421   1.390  0.00  0.00    +0.235 A 
ATOM      3  C   LIG    1        0.849   0.732   1.004  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.595  -0.236   0.341  0.00  0.00    +0.185 A 
ATOM      5  C   LIG    1        2.914   0.044  -0.034  0.00  0.00    +0.205 A 
ATOM      6  O   LIG    1        3.608  -0.935  -0.705  0.00  0.00    -0.482 OA
ATOM      7  C   LIG    1        4.789  -0.417  -1.328  0.00  0.00    +0.270 C 
ATOM      8  C   LIG    1        5.554   0.472  -0.363  0.00  0.00    +0.270 C 
ATOM      9  O   LIG    1        4.775   1.623  -0.017  0.00  0.00    -0.485 OA
ATOM     10  C   LIG    1        3.481   1.284   0.286  0.00  0.00    +0.166 A 
ATOM     11  C   LIG    1        2.725   2.256   0.940  0.00  0.00    +0.050 A 
ATOM     12  O   LIG    1        1.087  -1.472   0.033  0.00  0.00    -0.443 OA
ATOM     13  C   LIG    1       -0.240  -1.758   0.332  0.00  0.00    +0.254 A 
ATOM     14  C   LIG    1        1.406   1.981   1.304  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1       -1.073  -0.893   0.939  0.00  0.00    +0.222 A 
ENDROOT
BRANCH  13  16
ATOM     16  C   LIG    1       -0.643  -3.131  -0.115  0.00  0.00    +0.454 C 
ATOM     17  F   LIG    1        0.193  -4.080   0.384  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1       -1.897  -3.502   0.247  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1       -0.589  -3.240  -1.469  0.00  0.00    -0.163 F 
ENDBRANCH  13  16
BRANCH  15  20
ATOM     20  O   LIG    1       -2.390  -1.216   1.228  0.00  0.00    -0.448 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.372  -0.413   0.695  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1       -3.365   0.014  -0.636  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -4.418   0.794  -1.118  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.478   1.135  -0.278  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.492   0.692   1.045  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.442  -0.089   1.529  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 3