REMARK  Name = BDB021998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.378  -0.514  -1.538  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.549   0.584  -1.008  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -2.006   0.250  -1.308  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -2.363  -1.082  -0.807  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.694  -1.429  -0.536  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1       -4.138  -2.567  -0.661  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.498  -2.170  -1.263  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.029  -1.880  -0.977  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.620  -0.386  -0.037  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -5.872  -0.245  -0.647  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1       -6.769   0.711  -0.170  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.415   1.501   0.919  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -7.278   2.417   1.377  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -5.182   1.350   1.549  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -4.280   0.396   1.075  0.00  0.00    +0.016 A 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     16  O   LIG    1        2.607  -0.008  -2.217  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        1.846  -0.193  -1.272  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1        2.183  -0.130   0.068  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1        1.447  -0.315   0.736  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.448   0.153   0.625  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        4.591   0.437  -0.125  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        5.820   0.713   0.502  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        5.893   0.692   1.902  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.758   0.410   2.658  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.544   0.143   2.023  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1        7.040   1.006  -0.337  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1        8.105   1.442   0.393  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        6.818   1.968  -1.274  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.481  -0.089  -1.016  0.00  0.00    -0.166 F 
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 4