REMARK  Name = BDB047352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.283   2.981   0.508  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.351   1.703   1.132  0.00  0.00    -0.492 OA
BRANCH   2   8
ATOM      3  C   LIG    1       -5.463  -0.863  -0.581  0.00  0.00    +0.210 C 
ATOM      4  O   LIG    1       -4.472  -1.748   0.008  0.00  0.00    -0.474 OA
ATOM      5  C   LIG    1       -3.414  -0.942   0.326  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -3.519   0.344  -0.171  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.526   1.285   0.056  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -1.412   0.902   0.809  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -1.321  -0.409   1.312  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -2.326  -1.348   1.066  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -4.766   0.465  -0.960  0.00  0.00    +0.098 C 
BRANCH   3  13
ATOM     12  C   LIG    1       -7.242  -1.933   0.938  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -6.592  -0.641   0.453  0.00  0.00    +0.057 C 
ENDBRANCH   3  13
BRANCH   3  14
ATOM     14  C   LIG    1       -6.027  -1.503  -1.853  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1       -5.751  -2.594  -2.326  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.935  -0.722  -2.483  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -7.205  -1.268  -3.254  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   3  14
ENDBRANCH   2   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.029   3.672   0.886  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.262   2.953   0.336  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.513   1.780   1.103  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.534   0.955   0.715  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        3.706  -0.230   1.446  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        2.675  -0.628   2.777  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        4.724  -1.129   1.118  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        5.591  -0.862   0.058  0.00  0.00    +0.123 A 
ATOM     26  C   LIG    1        5.430   0.316  -0.670  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.409   1.219  -0.342  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        6.541  -1.820  -0.157  0.00  0.00    -0.483 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.451  -1.612  -1.243  0.00  0.00    +0.342 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.432  -2.770  -1.348  0.00  0.00    +0.424 C 
ATOM     31  F   LIG    1        9.289  -2.562  -2.378  0.00  0.00    -0.167 F 
ATOM     32  F   LIG    1        7.804  -3.943  -1.579  0.00  0.00    -0.167 F 
ATOM     33  F   LIG    1        9.177  -2.903  -0.229  0.00  0.00    -0.167 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12