REMARK  Name = BDB027914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.231   0.139   0.772  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1       -0.233   0.896   1.449  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   9
ATOM      3  O   LIG    1       -5.551  -0.856  -0.109  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -4.360  -0.584   0.005  0.00  0.00    +0.219 C 
ATOM      5  N   LIG    1       -3.418  -1.567   0.166  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -3.768  -2.515   0.187  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -2.047  -1.445   0.107  0.00  0.00    +0.239 C 
ATOM      8  O   LIG    1       -1.362  -2.466   0.053  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -1.487  -0.007   0.019  0.00  0.00    +0.158 C 
ATOM     10  C   LIG    1       -2.510   0.975   0.605  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -3.842   0.827  -0.109  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  C   LIG    1        1.010  -0.016   0.151  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        2.146   0.499   0.795  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        3.440   0.338   0.267  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        3.599  -0.367  -0.930  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.490  -0.922  -1.562  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        1.213  -0.759  -1.016  0.00  0.00    +0.023 A 
BRANCH  14  18
ATOM     18  C   LIG    1        4.627   0.944   0.969  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        5.797   0.294   0.712  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.500   0.954   2.326  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        4.834   2.241   0.606  0.00  0.00    -0.166 F 
ENDBRANCH  14  18
ENDBRANCH   1  12
TORSDOF 3