REMARK  Name = BDB059637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.372  -0.651   0.001  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -2.840  -0.453   0.308  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1       -3.661  -1.356   0.387  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -3.226   0.886   0.506  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1       -2.374   1.971   0.437  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1       -3.135   3.086   0.689  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -4.434   2.591   0.901  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -1.073   1.741   0.159  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -0.382   2.491   0.094  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -4.505   1.261   0.793  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1       -0.594   0.459  -0.052  0.00  0.00    +0.057 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        0.849   0.383  -0.343  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        1.772   0.229   0.701  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1        3.145   0.160   0.439  0.00  0.00    +0.131 A 
ATOM     15  C   LIG    1        3.591   0.250  -0.880  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        2.675   0.409  -1.925  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        1.309   0.477  -1.659  0.00  0.00    +0.010 A 
BRANCH  14  18
ATOM     18  O   LIG    1        3.922   0.006   1.551  0.00  0.00    -0.406 OA
BRANCH  18  19
ATOM     19  C   LIG    1        5.326  -0.080   1.372  0.00  0.00    +0.575 C 
ATOM     20  F   LIG    1        5.908  -0.232   2.582  0.00  0.00    -0.133 F 
ATOM     21  F   LIG    1        5.814   1.046   0.809  0.00  0.00    -0.133 F 
ATOM     22  F   LIG    1        5.655  -1.145   0.610  0.00  0.00    -0.133 F 
ENDBRANCH  18  19
ENDBRANCH  14  18
ENDBRANCH  11  12
BRANCH   1  24
ATOM     23  C   LIG    1       -1.548  -2.729  -1.447  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -0.895  -2.079  -0.223  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1       -1.056  -2.952   1.025  0.00  0.00    +0.012 C 
ENDBRANCH   1  24
BRANCH   6  26
ATOM     26  C   LIG    1       -2.699   4.437   0.725  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1       -2.331   5.537   0.751  0.00  0.00    -0.191 NA
ENDBRANCH   6  26
TORSDOF 5