REMARK  Name = BDB042514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.257   2.954  -1.151  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.228   1.864  -0.581  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.366   1.281  -0.048  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        2.660   1.950  -0.210  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.815   0.963  -0.463  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1        3.873  -0.107   0.555  0.00  0.00    -0.325 N 
ATOM      7  C   LIG    1        2.701  -0.259   1.431  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        1.394  -0.008   0.654  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        5.113  -0.629   0.925  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        5.416  -1.097   2.221  0.00  0.00    +0.144 A 
ATOM     11  F   LIG    1        4.509  -1.021   3.209  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1        6.665  -1.627   2.556  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        7.664  -1.716   1.594  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        7.404  -1.276   0.302  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.148  -0.745  -0.023  0.00  0.00    +0.026 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1       -1.070   1.087  -0.421  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.228   1.772  -1.153  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.577   1.085  -1.083  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -4.589   1.723  -1.768  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -4.394   2.585  -2.266  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -5.898   1.296  -1.855  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -6.724   1.937  -2.492  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -6.224   0.041  -1.141  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -5.201  -0.616  -0.440  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1       -5.487  -1.806   0.243  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -6.781  -2.334   0.226  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -7.792  -1.676  -0.473  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -7.512  -0.492  -1.153  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1       -8.515   0.105  -1.811  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -3.845  -0.057  -0.426  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4