REMARK  Name = BDB062452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.704  -0.047  -1.890  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1       -1.836  -0.579  -0.926  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.439  -0.559  -1.108  0.00  0.00    -0.013 A 
ATOM      4  C   LIG    1        0.070  -0.000  -2.290  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -0.785   0.506  -3.269  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -2.165   0.476  -3.075  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.460  -1.122  -0.087  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        1.485  -0.356   0.493  0.00  0.00    +0.143 A 
ATOM      9  F   LIG    1        1.635   0.928   0.127  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1        2.336  -0.904   1.454  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1        2.155  -2.221   1.887  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        1.147  -2.999   1.323  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        0.311  -2.455   0.342  0.00  0.00    +0.011 A 
BRANCH  10  14
ATOM     14  C   LIG    1        3.389  -0.092   2.089  0.00  0.00    +0.249 C 
ATOM     15  N   LIG    1        4.378   0.490   1.298  0.00  0.00    -0.297 N 
ATOM     16  C   LIG    1        4.597   0.189  -0.120  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1        6.073   0.273  -0.493  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        6.666   1.648  -0.186  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1        5.967   2.356   0.975  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1        5.343   1.370   1.954  0.00  0.00    +0.108 C 
ATOM     21  O   LIG    1        3.358   0.007   3.314  0.00  0.00    -0.270 OA
ENDBRANCH  10  14
ENDBRANCH   3   7
BRANCH   1  24
ATOM     22  C   LIG    1       -6.198  -0.408  -0.982  0.00  0.00    +0.100 A 
ATOM     23  C   LIG    1       -4.884  -0.248  -0.571  0.00  0.00    +0.062 A 
ATOM     24  N   LIG    1       -4.120  -0.055  -1.717  0.00  0.00    -0.236 N 
ATOM     25  N   LIG    1       -4.923   0.138  -2.800  0.00  0.00    -0.174 NA
ATOM     26  C   LIG    1       -6.151  -0.124  -2.360  0.00  0.00    +0.150 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -4.414  -0.236   0.918  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1       -5.011   0.790   1.854  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -3.584   0.917   1.429  0.00  0.00    +0.010 C 
ENDBRANCH  23  27
BRANCH  22  31
ATOM     30  O   LIG    1       -8.528  -0.655  -0.667  0.00  0.00    -0.245 OA
ATOM     31  C   LIG    1       -7.387  -0.738  -0.235  0.00  0.00    +0.340 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -7.181  -1.210   1.014  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -8.088  -1.382   1.339  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH  22  31
ENDBRANCH   1  24
TORSDOF 6