REMARK  Name = BDB008886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.034   1.441   1.321  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.081   0.765   0.540  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        0.703   1.448  -0.405  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        0.513   2.823  -0.553  0.00  0.00    +0.128 A 
ATOM      5  F   LIG    1        1.231   3.509  -1.454  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -0.413   3.513   0.223  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -1.180   2.826   1.163  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.857   0.700   2.349  0.00  0.00    +0.092 C 
BRANCH   8  17
ATOM      9  O   LIG    1       -4.142  -3.938   0.434  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -3.677  -2.876   0.835  0.00  0.00    +0.268 A 
ATOM     11  C   LIG    1       -4.224  -1.567   0.397  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -5.368  -1.614  -0.578  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -5.667  -0.257  -1.218  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -5.616   0.858  -0.181  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -4.239   0.926   0.487  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -3.697  -0.423   0.868  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1       -2.539  -0.554   1.808  0.00  0.00    +0.069 A 
ATOM     18  N   LIG    1       -2.053  -1.694   2.202  0.00  0.00    -0.175 NA
ATOM     19  N   LIG    1       -2.633  -2.822   1.717  0.00  0.00    -0.243 N 
ATOM     20  H   LIG    1       -2.240  -3.705   2.026  0.00  0.00    +0.192 HD
ENDBRANCH   8  17
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        1.703   0.710  -1.260  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1        2.660  -0.027  -0.434  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1        3.172   0.633   0.149  0.00  0.00    +0.123 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.586  -0.856  -1.216  0.00  0.00    +0.054 C 
ATOM     25  C   LIG    1        4.266  -1.859  -0.266  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        5.275  -1.204   0.679  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        6.315  -0.390  -0.084  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        5.670   0.621  -1.029  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1        4.662  -0.047  -1.964  0.00  0.00    +0.019 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5