REMARK  Name = BDB008898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.793  -1.320  -0.645  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.577  -0.837  -0.135  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.090  -1.506   0.904  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1       -0.470  -2.679   1.424  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -1.666  -3.179   0.911  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.319  -2.508  -0.122  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.481  -0.592  -1.778  0.00  0.00    +0.092 C 
BRANCH   7  16
ATOM      8  O   LIG    1       -7.935  -0.044  -1.192  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -6.715  -0.122  -1.287  0.00  0.00    +0.268 A 
ATOM     10  C   LIG    1       -5.814   0.844  -0.609  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -6.478   1.944   0.172  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -5.519   3.080   0.533  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -4.187   2.532   1.029  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -3.522   1.646  -0.030  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -4.480   0.715  -0.720  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -3.982  -0.407  -1.575  0.00  0.00    +0.069 A 
ATOM     17  N   LIG    1       -4.760  -1.255  -2.182  0.00  0.00    -0.175 NA
ATOM     18  N   LIG    1       -6.100  -1.100  -2.020  0.00  0.00    -0.243 N 
ATOM     19  H   LIG    1       -6.698  -1.769  -2.493  0.00  0.00    +0.192 HD
ENDBRANCH   7  16
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  C   LIG    1        1.400  -0.978   1.440  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.567  -1.756   1.023  0.00  0.00    -0.312 NA
ATOM     22  H   LIG    1        2.404  -2.735   1.256  0.00  0.00    +0.122 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.890  -1.666  -0.407  0.00  0.00    +0.086 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.396  -0.297  -0.895  0.00  0.00    +0.050 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.775   0.059  -0.391  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1        4.940   0.687   0.849  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.216   1.009   1.319  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        7.353   0.703   0.558  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        7.186   0.073  -0.684  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1        5.910  -0.250  -1.151  0.00  0.00    +0.004 A 
BRANCH  28  31
ATOM     31  C   LIG    1        8.735   1.057   1.046  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        9.615   0.023   0.930  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.773   1.429   2.357  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        9.282   2.092   0.350  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8