REMARK  Name = BDB046877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.945  -0.899  -2.531  0.00  0.00    +0.053 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1        3.982   0.118  -0.684  0.00  0.00    -0.220 N 
ATOM      3  N   LIG    1        3.197  -0.235   0.366  0.00  0.00    -0.173 NA
ATOM      4  C   LIG    1        2.042  -0.617  -0.177  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        2.040  -0.542  -1.582  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1        3.299  -0.067  -1.879  0.00  0.00    +0.120 A 
BRANCH   2  11
ATOM      7  O   LIG    1        9.159   1.889   1.897  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1        8.010   1.464   1.868  0.00  0.00    +0.259 A 
ATOM      9  C   LIG    1        7.282   1.266   0.600  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        5.968   0.777   0.658  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1        5.328   0.610  -0.579  0.00  0.00    +0.180 A 
ATOM     12  N   LIG    1        5.941   0.905  -1.778  0.00  0.00    -0.234 NA
ATOM     13  C   LIG    1        7.204   1.373  -1.762  0.00  0.00    +0.114 A 
ATOM     14  N   LIG    1        5.374   0.490   1.905  0.00  0.00    -0.233 NA
ATOM     15  C   LIG    1        6.047   0.679   2.983  0.00  0.00    +0.200 A 
ATOM     16  C   LIG    1        7.916   1.570  -0.604  0.00  0.00    +0.035 A 
ATOM     17  N   LIG    1        7.324   1.147   3.007  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        7.811   1.280   3.882  0.00  0.00    +0.170 HD
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1       -0.325  -0.040  -2.374  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.113  -0.303  -1.153  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -2.137   0.726  -0.925  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -3.530   0.338  -1.421  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1       -4.025  -0.982  -0.797  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1       -2.868  -1.813  -0.219  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1       -1.631  -1.679  -1.106  0.00  0.00    +0.085 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.136  -0.781   0.221  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1       -4.942  -0.024   1.388  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -5.980   0.160   2.319  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1       -7.223  -0.438   2.076  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -7.428  -1.193   0.924  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.393  -1.363   0.004  0.00  0.00    +0.004 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -5.740   0.962   3.574  0.00  0.00    +0.417 C 
ATOM     33  F   LIG    1       -6.886   1.423   4.148  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -5.105   0.239   4.537  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -4.965   2.062   3.361  0.00  0.00    -0.166 F 
ENDBRANCH  28  32
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6