REMARK  Name = BDB027836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.980   0.481  -0.523  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -0.573   1.825  -0.609  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.803   2.043  -0.512  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.218   3.365  -0.581  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.413   4.448  -0.741  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.903   4.202  -0.850  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.692   1.051  -0.364  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.204  -0.191  -0.329  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1       -1.439   2.929  -0.791  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.092  -0.520  -0.406  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.164  -1.269  -0.187  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.585  -1.236  -0.052  0.00  0.00    +0.176 A 
ATOM     13  N   LIG    1        4.085  -2.489   0.054  0.00  0.00    -0.169 NA
ATOM     14  N   LIG    1        3.010  -3.287  -0.015  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        3.152  -4.290   0.043  0.00  0.00    +0.188 HD
ATOM     16  C   LIG    1        1.840  -2.610  -0.156  0.00  0.00    +0.117 A 
BRANCH  12  17
ATOM     17  C   LIG    1        4.461  -0.009  -0.023  0.00  0.00    +0.437 C 
ATOM     18  F   LIG    1        4.375   0.718  -1.170  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        5.783  -0.306   0.131  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        4.147   0.826   1.006  0.00  0.00    -0.164 F 
ENDBRANCH  12  17
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1       -2.351   0.168  -0.605  0.00  0.00    -0.328 N 
ATOM     22  H   LIG    1       -2.877   0.743   0.045  0.00  0.00    +0.147 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.723  -1.244  -0.522  0.00  0.00    +0.102 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.787  -1.164   1.794  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -2.714  -1.785   0.910  0.00  0.00    +0.015 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5