REMARK  Name = BDB027866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.096   0.948  -0.220  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        0.503   2.017   0.466  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.896   1.991   0.511  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.501   3.039   1.190  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.862   4.074   1.798  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.520   4.074   1.721  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.628   1.022  -0.061  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.965   0.049  -0.707  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.196   3.084   1.076  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.627  -0.025  -0.804  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -3.403  -0.509   0.660  0.00  0.00    +0.176 C 
ATOM     12  N   LIG    1       -3.458  -1.435  -0.524  0.00  0.00    -0.303 NA
ATOM     13  H   LIG    1       -3.372  -2.405  -0.213  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -2.388  -1.149  -1.498  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1       -2.001   0.341  -1.575  0.00  0.00    +0.121 C 
ATOM     16  N   LIG    1       -1.513   0.860  -0.274  0.00  0.00    -0.312 N 
ATOM     17  C   LIG    1       -1.993   0.084   0.905  0.00  0.00    +0.134 C 
BRANCH  11  19
ATOM     18  F   LIG    1       -5.138  -1.624   1.880  0.00  0.00    -0.169 F 
ATOM     19  C   LIG    1       -3.883  -1.132   1.986  0.00  0.00    +0.406 C 
ATOM     20  F   LIG    1       -3.888  -0.223   2.987  0.00  0.00    -0.169 F 
ATOM     21  F   LIG    1       -3.077  -2.153   2.362  0.00  0.00    -0.169 F 
ENDBRANCH  11  19
ENDBRANCH   1  16
BRANCH   8  22
ATOM     22  C   LIG    1        2.760  -1.016  -1.346  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        2.151  -2.073  -2.040  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        2.939  -3.052  -2.624  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        4.285  -3.060  -2.571  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        4.868  -2.044  -1.904  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        4.162  -1.021  -1.289  0.00  0.00    +0.031 A 
ENDBRANCH   8  22
TORSDOF 3