REMARK  Name = BDB046466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.803   0.202  -0.028  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.188   1.299  -0.819  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1       -1.113   2.584  -0.250  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -0.638   2.789   1.056  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1       -0.220   1.678   1.801  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.287   0.381   1.272  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1        0.201  -0.748   2.100  0.00  0.00    -0.005 C 
ATOM      8  C   LIG    1        1.317  -1.448   1.816  0.00  0.00    +0.127 C 
ATOM      9  F   LIG    1        1.658  -2.457   2.656  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -0.636  -1.054   3.313  0.00  0.00    +0.047 C 
BRANCH   8  11
ATOM     11  C   LIG    1        2.224  -1.228   0.706  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1        3.314  -1.981   0.481  0.00  0.00    +0.006 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.271  -1.822  -0.618  0.00  0.00    -0.044 C 
ATOM     14  C   LIG    1        5.374  -2.598  -0.618  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1        3.934  -0.827  -1.701  0.00  0.00    +0.044 C 
BRANCH  14  16
ATOM     16  C   LIG    1        6.486  -2.595  -1.579  0.00  0.00    +0.330 C 
ATOM     17  O   LIG    1        7.144  -3.578  -1.872  0.00  0.00    -0.246 OA
BRANCH  16  18
ATOM     18  O   LIG    1        6.798  -1.379  -2.046  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1        7.573  -1.541  -2.622  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH  12  13
ENDBRANCH   8  11
ENDBRANCH   6   7
BRANCH   2  20
ATOM     20  C   LIG    1       -1.660   1.124  -2.256  0.00  0.00    +0.016 C 
ATOM     21  C   LIG    1       -3.120   1.554  -2.421  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -0.756   1.872  -3.242  0.00  0.00    +0.012 C 
ENDBRANCH   2  20
BRANCH   4  23
ATOM     23  C   LIG    1       -0.549   4.179   1.661  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -1.924   4.847   1.747  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1        0.440   5.061   0.895  0.00  0.00    +0.012 C 
ENDBRANCH   4  23
BRANCH   1  26
ATOM     26  O   LIG    1       -0.854  -1.064  -0.561  0.00  0.00    -0.491 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.101  -1.700  -0.244  0.00  0.00    +0.229 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.893  -3.207  -0.361  0.00  0.00    +0.041 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -3.683  -3.925   1.303  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -3.163  -4.022  -0.123  0.00  0.00    -0.000 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 11