REMARK  Name = BDB046140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.011   0.847   1.400  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.835   0.896   1.047  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -3.340   0.001  -0.024  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.989  -0.306  -0.255  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -1.595  -1.182  -1.263  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -2.555  -1.783  -2.091  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.904  -1.500  -1.877  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.235  -1.330  -1.286  0.00  0.00    -0.228 NA
ATOM      9  C   LIG    1        0.233  -0.609  -0.286  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -0.800   0.082   0.321  0.00  0.00    -0.322 N 
ATOM     11  C   LIG    1       -0.657   1.105   1.338  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -1.691   2.215   1.216  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -4.286  -0.629  -0.857  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -3.005   1.801   1.655  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -3.509   2.402   2.298  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        1.649  -0.533   0.078  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        2.603  -0.301  -0.923  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.972  -0.226  -0.616  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        4.379  -0.413   0.713  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        3.439  -0.666   1.712  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.081  -0.731   1.395  0.00  0.00    +0.011 A 
BRANCH  18  22
ATOM     22  C   LIG    1        4.986   0.008  -1.708  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1        5.367  -1.144  -2.323  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        4.527   0.829  -2.694  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        6.134   0.587  -1.254  0.00  0.00    -0.166 F 
ENDBRANCH  18  22
ENDBRANCH   9  16
TORSDOF 2