REMARK  Name = BDB021922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.368   2.835  -0.092  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        2.574   1.976  -0.467  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1        2.845   0.642  -0.603  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.257   0.166  -1.272  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1        1.328   2.381  -0.870  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        1.298   3.385  -1.008  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.992  -0.049  -0.170  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        4.932   0.489   0.712  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        6.050  -0.260   1.122  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        6.217  -1.562   0.628  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        5.277  -2.109  -0.243  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.169  -1.357  -0.636  0.00  0.00    +0.023 A 
BRANCH   9  13
ATOM     13  C   LIG    1        7.065   0.350   2.057  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        7.837  -0.581   2.688  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        7.934   1.178   1.415  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        6.499   1.090   3.050  0.00  0.00    -0.166 F 
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   5  17
ATOM     17  C   LIG    1        0.111   1.689  -1.004  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -0.913   2.335  -1.709  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -2.158   1.723  -1.876  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -2.399   0.473  -1.304  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -1.388  -0.177  -0.592  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -0.141   0.438  -0.431  0.00  0.00    +0.024 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.718  -0.165  -1.510  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -4.430  -0.611  -0.405  0.00  0.00    -0.293 N 
ATOM     25  C   LIG    1       -4.162  -0.228   0.987  0.00  0.00    +0.136 C 
ATOM     26  C   LIG    1       -5.464  -0.135   1.792  0.00  0.00    +0.179 C 
ATOM     27  O   LIG    1       -6.212  -1.357   1.806  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1       -6.089  -2.133   0.604  0.00  0.00    +0.179 C 
ATOM     29  C   LIG    1       -5.694  -1.314  -0.627  0.00  0.00    +0.136 C 
ATOM     30  O   LIG    1       -4.127  -0.273  -2.664  0.00  0.00    -0.270 OA
ENDBRANCH  20  23
ENDBRANCH   5  17
TORSDOF 4