REMARK  Name = BDB064216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.677  -1.770  -1.359  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.488  -1.170  -2.601  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.720  -1.151  -3.183  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.554  -0.570  -3.261  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.825  -0.580  -2.681  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -3.044  -1.197  -1.437  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.958  -1.811  -0.792  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.255  -0.637  -0.252  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        4.116  -1.957   0.181  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1        5.069  -2.616   0.600  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        2.692  -2.546   0.226  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1        1.633  -1.794  -0.444  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1        0.427  -2.453  -0.656  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1        0.215  -3.599  -0.265  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.798  -0.345  -0.412  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.167   0.024  -0.970  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.591  -0.049  -0.343  0.00  0.00    +0.110 C 
BRANCH  17  19
ATOM     18  C   LIG    1        5.092   2.029   1.061  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1        5.996   0.811   0.871  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1        6.073   0.004   2.167  0.00  0.00    +0.009 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  C   LIG    1       -4.430  -1.228  -0.820  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.934   0.102  -0.470  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -4.534   0.758   0.737  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -4.978   2.061   0.994  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -4.603   2.752   2.155  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -3.775   2.137   3.088  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.331   0.839   2.859  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.864   2.720   0.023  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -6.247   3.874   0.171  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -6.232   1.968  -1.056  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -6.829   2.414  -1.736  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -3.708   0.155   1.696  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -5.785   0.719  -1.376  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -6.142   0.214  -2.440  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5