REMARK  Name = BDB062318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.216  -0.770  -0.296  0.00  0.00    -0.002 C 
ATOM      2  C   LIG    1        0.849  -0.028  -0.465  0.00  0.00    -0.026 C 
ATOM      3  C   LIG    1        0.107  -0.575   0.781  0.00  0.00    -0.001 C 
ATOM      4  C   LIG    1       -1.296   0.010   0.983  0.00  0.00    +0.000 C 
ATOM      5  C   LIG    1       -2.166  -0.294  -0.267  0.00  0.00    +0.003 C 
ATOM      6  C   LIG    1       -1.444   0.093  -1.583  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -3.626   0.304  -0.134  0.00  0.00    -0.008 C 
ATOM      8  C   LIG    1       -4.191   0.073   1.273  0.00  0.00    -0.065 C 
ATOM      9  C   LIG    1       -5.678   0.305   1.486  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -6.567  -0.070   0.278  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.827  -1.007  -0.677  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1       -7.882  -0.702   0.742  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.431  -0.339   2.305  0.00  0.00    -0.027 C 
ATOM     14  C   LIG    1       -3.616   1.835  -0.373  0.00  0.00    +0.016 C 
ATOM     15  C   LIG    1       -4.533  -0.380  -1.211  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -1.956  -0.577   2.239  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1        1.112  -0.414   1.909  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        1.052   1.506  -0.443  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -0.004  -0.441  -1.680  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1        2.465  -0.677   1.236  0.00  0.00    +0.004 C 
ENDROOT
BRANCH   1  22
ATOM     21  C   LIG    1        3.141  -0.361  -2.647  0.00  0.00    +0.008 C 
ATOM     22  C   LIG    1        3.447  -0.319  -1.141  0.00  0.00    -0.010 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.696  -1.211  -0.895  0.00  0.00    +0.006 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.626  -0.874   0.284  0.00  0.00    +0.044 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.300   0.519   0.314  0.00  0.00    +0.158 C 
ATOM     26  C   LIG    1        7.329   0.534   1.457  0.00  0.00    +0.050 C 
BRANCH  25  27
ATOM     27  C   LIG    1        7.019   0.872  -1.010  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1        7.964  -0.039  -1.325  0.00  0.00    -0.168 F 
ATOM     29  F   LIG    1        6.169   0.967  -2.054  0.00  0.00    -0.168 F 
ATOM     30  F   LIG    1        7.634   2.077  -0.898  0.00  0.00    -0.168 F 
ENDBRANCH  25  27
BRANCH  25  31
ATOM     31  O   LIG    1        5.307   1.503   0.674  0.00  0.00    -0.380 OA
ATOM     32  H   LIG    1        5.699   2.386   0.535  0.00  0.00    +0.211 HD
ENDBRANCH  25  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH  10  33
ATOM     33  O   LIG    1       -6.911   1.112  -0.460  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -7.374   1.719   0.143  0.00  0.00    +0.210 HD
ENDBRANCH  10  33
TORSDOF 7