REMARK  Name = BDB046423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.321   0.341  -1.313  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -1.343   0.978  -0.574  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -2.328   0.229   0.106  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -2.141  -1.174   0.136  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.102  -1.845  -0.544  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -0.221  -1.060  -1.291  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.956   1.181  -1.893  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1        0.639   1.083  -2.167  0.00  0.00    -0.005 C 
ATOM      9  C   LIG    1        0.032   1.710  -3.393  0.00  0.00    +0.047 C 
ATOM     10  F   LIG    1        2.731   1.876  -2.761  0.00  0.00    -0.205 F 
BRANCH   7  12
ATOM     11  C   LIG    1        3.969   0.749  -0.548  0.00  0.00    +0.006 C 
ATOM     12  C   LIG    1        2.643   0.643  -0.734  0.00  0.00    +0.039 C 
BRANCH  11  14
ATOM     13  C   LIG    1        3.968  -0.450   1.702  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        4.731   0.230   0.590  0.00  0.00    -0.044 C 
ATOM     15  C   LIG    1        6.069   0.395   0.594  0.00  0.00    +0.094 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.961  -0.123   1.648  0.00  0.00    +0.330 C 
ATOM     17  O   LIG    1        6.945  -1.261   2.077  0.00  0.00    -0.246 OA
BRANCH  16  18
ATOM     18  O   LIG    1        7.819   0.829   2.065  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1        7.647   1.715   1.694  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  11  14
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.557   0.845   0.824  0.00  0.00    -0.009 C 
ATOM     21  C   LIG    1       -3.168   1.188   2.273  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -4.113   2.112   0.131  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -4.762  -0.136   0.883  0.00  0.00    +0.015 C 
ENDBRANCH   3  20
BRANCH   5  24
ATOM     24  C   LIG    1       -0.987  -3.378  -0.464  0.00  0.00    -0.013 C 
ATOM     25  C   LIG    1        0.212  -3.958  -1.250  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -2.265  -4.027  -1.036  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -0.811  -3.809   1.009  0.00  0.00    +0.015 C 
ENDBRANCH   5  24
BRANCH   2  28
ATOM     28  O   LIG    1       -1.404   2.350  -0.561  0.00  0.00    -0.485 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -0.427   2.916   0.333  0.00  0.00    +0.300 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.837   4.334   0.699  0.00  0.00    +0.378 C 
ATOM     31  F   LIG    1        0.245   5.018   1.155  0.00  0.00    -0.206 F 
ATOM     32  F   LIG    1       -1.732   4.312   1.721  0.00  0.00    -0.206 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 10