REMARK  Name = BDB046994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.333   1.224  -0.396  0.00  0.00    +0.013 A 
ATOM      2  C   LIG    1       -1.085   1.356  -0.584  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.691   0.142  -0.225  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -3.096  -0.019  -0.268  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.841  -1.240   0.130  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -3.237  -2.466   0.165  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -3.890  -3.215   0.368  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -1.920  -2.803  -0.317  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -0.830  -2.114   0.484  0.00  0.00    +0.141 C 
ATOM     10  O   LIG    1       -5.033  -1.171   0.421  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.869   1.080  -0.691  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.285   2.279  -1.072  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.663  -0.712   0.128  0.00  0.00    -0.337 N 
ATOM     14  C   LIG    1       -1.901   2.424  -1.023  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        0.558  -0.065   0.074  0.00  0.00    +0.056 A 
ENDROOT
BRANCH  15  16
ATOM     16  C   LIG    1        1.826  -0.688   0.450  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        2.735  -1.086  -0.540  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.947  -1.677  -0.181  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.246  -1.866   1.164  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        5.409  -2.434   1.508  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.357  -1.472   2.158  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        2.144  -0.879   1.801  0.00  0.00    +0.013 A 
ENDBRANCH  15  16
BRANCH   1  24
ATOM     23  C   LIG    1        1.258   3.458   0.348  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        1.390   2.283  -0.616  0.00  0.00    +0.179 C 
BRANCH  24  25
ATOM     25  N   LIG    1        1.344   2.787  -2.032  0.00  0.00    -0.061 NA
ATOM     26  O   LIG    1        2.405   2.594  -2.637  0.00  0.00    -0.148 OA
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 3