REMARK  Name = BDB048565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.887   0.267   1.552  0.00  0.00    +0.256 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.348  -0.092   1.635  0.00  0.00    +0.014 C 
ATOM      3  C   LIG    1       -3.218  -0.113   0.611  0.00  0.00    +0.007 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -4.638  -0.459   0.745  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1       -5.581   0.247  -0.013  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -6.949  -0.061   0.059  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -7.365  -1.114   0.890  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -6.437  -1.840   1.653  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -5.075  -1.510   1.562  0.00  0.00    +0.020 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -7.947   0.702  -0.780  0.00  0.00    +0.417 C 
ATOM     11  F   LIG    1       -7.599   2.005  -0.970  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1       -9.194   0.726  -0.233  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -8.093   0.166  -2.022  0.00  0.00    -0.166 F 
ENDBRANCH   6  10
BRANCH   8  14
ATOM     14  C   LIG    1       -6.885  -2.990   2.523  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       -6.857  -4.179   1.863  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -8.159  -2.845   2.983  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -6.108  -3.155   3.630  0.00  0.00    -0.166 F 
ENDBRANCH   8  14
ENDBRANCH   3   4
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1       -0.515   0.574   0.211  0.00  0.00    -0.488 OA
BRANCH  18  22
ATOM     19  C   LIG    1        3.400   1.673  -0.749  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1        3.092   1.371   0.583  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        1.795   1.000   0.952  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        0.788   0.923  -0.011  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        1.094   1.219  -1.341  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        2.388   1.590  -1.712  0.00  0.00    +0.007 A 
BRANCH  19  25
ATOM     25  C   LIG    1        4.810   2.052  -1.146  0.00  0.00    +0.078 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.682   0.816  -1.417  0.00  0.00    +0.230 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.905   1.255  -2.225  0.00  0.00    +0.334 C 
ATOM     28  O   LIG    1        8.072   1.268  -1.870  0.00  0.00    -0.248 OA
BRANCH  27  29
ATOM     29  O   LIG    1        6.588   1.632  -3.485  0.00  0.00    -0.479 OA
ATOM     30  H   LIG    1        7.457   1.863  -3.879  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
BRANCH  26  31
ATOM     31  O   LIG    1        6.064   0.256  -0.154  0.00  0.00    -0.365 OA
BRANCH  31  33
ATOM     32  C   LIG    1        7.172  -1.797  -0.899  0.00  0.00    +0.034 C 
ATOM     33  C   LIG    1        6.038  -1.168  -0.110  0.00  0.00    +0.157 C 
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 12