REMARK  Name = BDB046468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.223  -0.780  -1.267  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -1.209  -1.527  -0.595  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -2.413  -0.933  -0.177  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -2.578   0.450  -0.394  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.600   1.231  -1.034  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -0.431   0.593  -1.474  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.802   2.673  -1.247  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1       -1.656   3.247  -2.521  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -1.850   4.615  -2.709  0.00  0.00    +0.127 A 
ATOM     10  F   LIG    1       -1.706   5.134  -3.936  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -2.190   5.445  -1.653  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -2.336   4.886  -0.394  0.00  0.00    +0.127 A 
ATOM     13  F   LIG    1       -2.663   5.672   0.641  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -2.147   3.522  -0.181  0.00  0.00    +0.047 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     15  C   LIG    1        0.846  -2.289  -2.974  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        1.025  -1.391  -1.779  0.00  0.00    -0.040 C 
ATOM     17  C   LIG    1        2.240  -1.174  -1.235  0.00  0.00    +0.004 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.539  -0.353  -0.076  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        3.785  -0.194   0.400  0.00  0.00    +0.003 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.177   0.609   1.565  0.00  0.00    -0.044 C 
ATOM     21  C   LIG    1        5.475   0.594   1.933  0.00  0.00    +0.094 C 
ATOM     22  C   LIG    1        3.095   1.401   2.255  0.00  0.00    +0.044 C 
BRANCH  21  23
ATOM     23  C   LIG    1        6.081   1.294   3.080  0.00  0.00    +0.330 C 
ATOM     24  O   LIG    1        5.541   1.898   3.983  0.00  0.00    -0.246 OA
BRANCH  23  25
ATOM     25  O   LIG    1        7.420   1.173   3.020  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1        7.730   1.659   3.812  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  19  20
ENDBRANCH  17  18
ENDBRANCH   1  16
BRANCH   3  27
ATOM     27  C   LIG    1       -3.523  -1.742   0.477  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -4.818  -1.692  -0.341  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -3.772  -1.287   1.918  0.00  0.00    +0.012 C 
ENDBRANCH   3  27
BRANCH   2  30
ATOM     30  O   LIG    1       -1.024  -2.876  -0.406  0.00  0.00    -0.485 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -0.309  -3.126   0.816  0.00  0.00    +0.300 C 
BRANCH  31  32
ATOM     32  C   LIG    1        0.249  -4.538   0.785  0.00  0.00    +0.378 C 
ATOM     33  F   LIG    1        0.550  -4.939   2.047  0.00  0.00    -0.206 F 
ATOM     34  F   LIG    1        1.414  -4.567   0.086  0.00  0.00    -0.206 F 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 10