REMARK  Name = BDB047929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.035   0.974  -1.137  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.264   0.149  -1.501  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -2.370   0.589  -0.717  0.00  0.00    -0.492 OA
BRANCH   3   5
ATOM      4  C   LIG    1       -4.638   0.424  -0.102  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -3.580  -0.020  -0.916  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -3.813  -1.031  -1.854  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -5.084  -1.599  -1.990  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -6.150  -1.162  -1.196  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1       -5.913  -0.156  -0.249  0.00  0.00    +0.019 A 
BRANCH   8  10
ATOM     10  C   LIG    1       -7.516  -1.789  -1.325  0.00  0.00    +0.417 C 
ATOM     11  F   LIG    1       -7.675  -2.859  -0.498  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1       -8.531  -0.931  -1.026  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -7.777  -2.247  -2.582  0.00  0.00    -0.166 F 
ENDBRANCH   8  10
BRANCH   4  14
ATOM     14  C   LIG    1       -4.449   1.502   0.945  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.169   0.132   2.677  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.408   0.963   2.379  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   4  14
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.316   0.866   0.346  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.530   1.566   0.624  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.718   0.902   0.505  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.901  -0.399   0.041  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1        4.190  -0.960  -0.037  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1        4.358  -2.366  -0.546  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1        5.309  -0.203   0.357  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        5.122   1.104   0.810  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.835   1.647   0.882  0.00  0.00    +0.049 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.517  -0.837   0.245  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1        7.679  -0.184   0.734  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1        8.290   0.834  -0.217  0.00  0.00    +0.343 C 
ATOM     29  O   LIG    1        7.939   1.110  -1.351  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1        9.351   1.466   0.332  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1        9.650   2.074  -0.378  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 13