REMARK  Name = BDB046469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.636  -0.052   1.211  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -0.953  -0.841   0.082  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.633  -0.272  -1.016  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -2.124   1.044  -0.894  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.905   1.820   0.253  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -1.138   1.261   1.283  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.423   3.194   0.348  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1       -1.568   4.274   0.617  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.074   5.568   0.703  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1       -1.240   6.585   0.959  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -3.428   5.823   0.528  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.293   4.766   0.261  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.793   3.463   0.172  0.00  0.00    +0.009 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     14  C   LIG    1       -0.316  -0.546   3.678  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        0.287  -0.468   2.297  0.00  0.00    -0.040 C 
ATOM     16  C   LIG    1        1.600  -0.716   2.102  0.00  0.00    +0.004 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.330  -0.622   0.852  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1        3.635  -0.919   0.743  0.00  0.00    +0.003 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.442  -0.858  -0.482  0.00  0.00    -0.044 C 
ATOM     20  C   LIG    1        5.760  -1.129  -0.384  0.00  0.00    +0.094 C 
ATOM     21  C   LIG    1        3.726  -0.508  -1.764  0.00  0.00    +0.044 C 
BRANCH  20  22
ATOM     22  C   LIG    1        6.757  -1.104  -1.470  0.00  0.00    +0.330 C 
ATOM     23  O   LIG    1        6.632  -0.741  -2.621  0.00  0.00    -0.246 OA
BRANCH  22  24
ATOM     24  O   LIG    1        7.934  -1.560  -1.004  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1        8.525  -1.504  -1.784  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  18  19
ENDBRANCH  16  17
ENDBRANCH   1  15
BRANCH   3  26
ATOM     26  C   LIG    1       -1.808  -0.960  -2.367  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1       -0.461  -1.242  -3.042  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -2.677  -2.215  -2.320  0.00  0.00    +0.012 C 
ENDBRANCH   3  26
BRANCH   2  29
ATOM     29  O   LIG    1       -0.546  -2.143  -0.066  0.00  0.00    -0.485 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -0.944  -3.057   0.970  0.00  0.00    +0.300 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.440  -3.122   1.253  0.00  0.00    +0.378 C 
ATOM     32  F   LIG    1       -2.741  -4.332   1.798  0.00  0.00    -0.206 F 
ATOM     33  F   LIG    1       -2.793  -2.197   2.183  0.00  0.00    -0.206 F 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 10