REMARK  Name = BDB046621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.153   0.181  -0.847  0.00  0.00    +0.131 C 
ATOM      2  C   LIG    1       -0.465  -1.169  -0.156  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.259  -1.287   1.137  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1       -0.124  -0.556   1.760  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        1.648  -1.072   1.017  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.211  -0.341  -0.036  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.582  -0.144  -0.131  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.428  -0.625   0.867  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        3.869  -1.294   1.950  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1        4.669  -1.746   2.925  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        4.105   0.564  -1.308  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1        5.306   0.755  -1.453  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1        3.171   0.977  -2.233  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1        3.521   1.473  -3.048  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1        1.815   0.870  -2.115  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1        2.494  -1.512   2.038  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        1.349   0.257  -1.065  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  20
ATOM     18  C   LIG    1       -0.827   2.996  -1.981  0.00  0.00    +0.150 C 
ATOM     19  N   LIG    1       -0.842   2.627  -0.586  0.00  0.00    -0.337 N 
ATOM     20  C   LIG    1       -0.547   1.396  -0.042  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1       -0.648   1.444   1.276  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1       -1.027   2.723   1.583  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -1.153   3.475   0.442  0.00  0.00    +0.106 A 
ENDBRANCH   1  20
BRANCH   2  24
ATOM     24  C   LIG    1       -1.931  -1.548   0.053  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1       -2.228  -2.749   0.727  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.546  -3.170   0.919  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.597  -2.399   0.435  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.329  -1.213  -0.242  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.008  -0.793  -0.436  0.00  0.00    +0.005 A 
ENDBRANCH   2  24
TORSDOF 2