REMARK  Name = BDB008919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.581   0.567   0.540  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1        1.086   1.714  -0.081  0.00  0.00    +0.144 A 
ATOM      3  F   LIG    1        2.305   1.686  -0.642  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        0.354   2.896  -0.135  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.911   2.947   0.445  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.441   1.819   1.087  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -0.680   0.636   1.135  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        1.071  -1.848   0.996  0.00  0.00    +0.218 C 
ATOM      9  N   LIG    1        1.388  -0.589   0.531  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        2.323  -0.479   0.128  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -0.010  -2.197   1.464  0.00  0.00    -0.275 OA
BRANCH   8  12
ATOM     12  C   LIG    1        2.189  -2.862   0.816  0.00  0.00    +0.111 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.547  -2.345   1.295  0.00  0.00    +0.093 C 
BRANCH  13  18
ATOM     14  C   LIG    1        4.981   0.655  -2.296  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1        5.976   0.025  -1.427  0.00  0.00    -0.303 NA
ATOM     16  C   LIG    1        5.800   0.450  -0.020  0.00  0.00    +0.099 C 
ATOM     17  C   LIG    1        5.233  -0.619   0.952  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1        4.152  -1.406   0.333  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1        4.662  -2.096  -0.879  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        5.910  -1.442  -1.531  0.00  0.00    +0.099 C 
ENDBRANCH  13  18
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1       -2.804   1.877   1.741  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.945   2.039   0.740  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.650   0.826   0.213  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -4.212  -0.556   0.607  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -4.853  -1.667  -0.233  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.332  -1.397  -0.472  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.534  -0.060  -1.188  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.684   1.043  -0.619  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -6.048   2.427  -1.012  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -6.972   2.660  -1.784  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -5.285   3.424  -0.465  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -5.520   4.378  -0.717  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -4.257   3.257   0.408  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6