REMARK  Name = BDB046421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.304  -0.196  -1.141  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -2.596  -0.410  -0.640  0.00  0.00    +0.174 A 
ATOM      3  C   LIG    1       -2.895  -0.962   0.593  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -4.317  -0.972   0.635  0.00  0.00    +0.193 A 
ATOM      5  N   LIG    1       -4.836  -0.463  -0.495  0.00  0.00    -0.073 NA
ATOM      6  C   LIG    1       -1.840  -1.355   1.432  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -0.528  -1.156   0.986  0.00  0.00    +0.047 A 
ATOM      8  O   LIG    1       -3.757  -0.112  -1.284  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1       -0.270  -0.567  -0.259  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -5.178  -1.480   1.737  0.00  0.00    +0.438 C 
ATOM     11  F   LIG    1       -6.429  -0.949   1.738  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -4.646  -1.206   2.961  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -5.324  -2.831   1.681  0.00  0.00    -0.164 F 
ENDBRANCH   4  10
BRANCH   1  14
ATOM     14  C   LIG    1       -1.054   0.414  -2.493  0.00  0.00    +0.042 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -0.694   2.549  -3.781  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -0.995   1.941  -2.420  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   9  17
ATOM     17  O   LIG    1        1.032  -0.411  -0.680  0.00  0.00    -0.473 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.748   0.585   0.091  0.00  0.00    +0.311 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.659  -0.065   1.117  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.862   0.555   2.360  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.701  -0.024   3.313  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.351  -1.224   3.035  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.168  -1.845   1.802  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.331  -1.268   0.845  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1        2.563   1.430  -0.901  0.00  0.00    +0.351 C 
ATOM     26  O   LIG    1        3.127   2.479  -0.623  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        2.604   0.901  -2.154  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        2.095   0.062  -2.176  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 8