REMARK  Name = BDB046457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.558  -0.776  -0.992  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -0.981  -0.717   0.355  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.689   0.408   0.829  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -2.103   1.384  -0.102  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.781   1.304  -1.463  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -0.986   0.228  -1.881  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.229   2.332  -2.420  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.039   3.703  -2.184  0.00  0.00    +0.131 A 
ATOM      9  F   LIG    1       -1.428   4.120  -1.064  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -2.463   4.672  -3.094  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -3.095   4.286  -4.273  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.300   2.933  -4.534  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.871   1.967  -3.618  0.00  0.00    +0.011 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     14  C   LIG    1       -0.118  -2.668  -2.622  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        0.405  -1.771  -1.528  0.00  0.00    -0.040 C 
ATOM     16  C   LIG    1        1.689  -1.856  -1.120  0.00  0.00    +0.004 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.347  -1.023  -0.130  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1        3.624  -1.206   0.247  0.00  0.00    +0.003 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.358  -0.415   1.242  0.00  0.00    -0.044 C 
ATOM     20  C   LIG    1        5.649  -0.733   1.472  0.00  0.00    +0.094 C 
ATOM     21  C   LIG    1        3.603   0.691   1.938  0.00  0.00    +0.044 C 
BRANCH  20  22
ATOM     22  C   LIG    1        6.577  -0.082   2.414  0.00  0.00    +0.330 C 
ATOM     23  O   LIG    1        6.399   0.881   3.131  0.00  0.00    -0.246 OA
BRANCH  22  24
ATOM     24  O   LIG    1        7.758  -0.726   2.394  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1        8.300  -0.228   3.040  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       -1.978   0.683   2.303  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1       -0.689   0.847   3.117  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -2.917  -0.332   2.952  0.00  0.00    +0.012 C 
ENDBRANCH   3  26
BRANCH   2  29
ATOM     29  O   LIG    1       -0.655  -1.667   1.289  0.00  0.00    -0.485 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -1.050  -3.016   0.987  0.00  0.00    +0.300 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.529  -3.217   0.675  0.00  0.00    +0.378 C 
ATOM     32  F   LIG    1       -2.873  -4.505   0.951  0.00  0.00    -0.206 F 
ATOM     33  F   LIG    1       -2.768  -3.045  -0.650  0.00  0.00    -0.206 F 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 10