REMARK  Name = BDB046463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.606  -0.666  -0.883  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.118  -1.746  -0.142  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1       -1.371  -2.943  -0.101  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -0.163  -3.086  -0.803  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        0.296  -1.997  -1.565  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -0.414  -0.790  -1.621  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.445  -1.645   0.600  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -3.238  -1.715   2.116  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -4.443  -2.711   0.136  0.00  0.00    +0.012 C 
ENDBRANCH   2   7
BRANCH   4  10
ATOM     10  C   LIG    1        0.692  -4.350  -0.796  0.00  0.00    +0.367 C 
ATOM     11  F   LIG    1        0.972  -4.728  -2.088  0.00  0.00    -0.190 F 
ATOM     12  F   LIG    1        1.924  -4.069  -0.253  0.00  0.00    -0.190 F 
BRANCH  10  13
ATOM     13  C   LIG    1        0.110  -5.574  -0.059  0.00  0.00    +0.459 C 
ATOM     14  F   LIG    1       -0.096  -5.330   1.261  0.00  0.00    -0.165 F 
ATOM     15  F   LIG    1        0.939  -6.647  -0.130  0.00  0.00    -0.165 F 
ATOM     16  F   LIG    1       -1.081  -5.967  -0.577  0.00  0.00    -0.165 F 
ENDBRANCH  10  13
ENDBRANCH   4  10
BRANCH   6  17
ATOM     17  C   LIG    1        0.113   0.302  -2.467  0.00  0.00    -0.040 C 
ATOM     18  C   LIG    1        1.162   1.075  -2.122  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -0.625   0.499  -3.765  0.00  0.00    +0.044 C 
BRANCH  18  20
ATOM     20  C   LIG    1        1.920   1.002  -0.888  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        2.943   1.827  -0.612  0.00  0.00    +0.003 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.736   1.840   0.620  0.00  0.00    -0.044 C 
ATOM     23  C   LIG    1        4.719   2.754   0.741  0.00  0.00    +0.094 C 
ATOM     24  C   LIG    1        3.408   0.820   1.684  0.00  0.00    +0.044 C 
BRANCH  23  25
ATOM     25  C   LIG    1        5.553   2.907   1.946  0.00  0.00    +0.330 C 
ATOM     26  O   LIG    1        5.123   3.045   3.076  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        6.863   2.898   1.630  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        7.047   2.681   0.698  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  21  22
ENDBRANCH  18  20
ENDBRANCH   6  17
BRANCH   1  29
ATOM     29  O   LIG    1       -2.307   0.515  -0.935  0.00  0.00    -0.491 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -1.865   1.413   0.097  0.00  0.00    +0.229 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.043   2.840  -0.415  0.00  0.00    +0.041 C 
BRANCH  31  33
ATOM     32  C   LIG    1       -0.181   3.935   0.937  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1       -1.666   3.908   0.609  0.00  0.00    -0.000 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 12