REMARK  Name = LIG000271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.270   0.667  -1.790  0.00  0.00    -0.227 N 
ATOM      2  N   LIG    1       -1.387   0.054  -1.302  0.00  0.00    -0.145 NA
ATOM      3  C   LIG    1       -0.919  -0.768  -0.356  0.00  0.00    +0.182 A 
ATOM      4  N   LIG    1        0.435  -0.712  -0.192  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        0.812   0.167  -1.091  0.00  0.00    +0.225 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.764  -1.646   0.449  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -1.193  -2.476   1.425  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -1.987  -3.324   2.216  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.377  -3.334   2.016  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -3.972  -2.519   1.039  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -3.155  -1.675   0.268  0.00  0.00    +0.024 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -1.336  -4.199   3.261  0.00  0.00    +0.417 C 
ATOM     13  F   LIG    1       -0.652  -3.478   4.191  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -2.225  -4.959   3.959  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -0.439  -5.072   2.726  0.00  0.00    -0.166 F 
ENDBRANCH   8  12
BRANCH  10  16
ATOM     16  C   LIG    1       -5.469  -2.513   0.840  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1       -6.075  -1.504   1.524  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -5.834  -2.359  -0.463  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -6.068  -3.663   1.260  0.00  0.00    -0.166 F 
ENDBRANCH  10  16
ENDBRANCH   3   6
BRANCH   1  21
ATOM     20  C   LIG    1        0.622   2.373  -3.393  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -0.329   1.644  -2.791  0.00  0.00    +0.119 C 
BRANCH  20  23
ATOM     22  O   LIG    1        2.682   1.226  -3.404  0.00  0.00    -0.269 OA
ATOM     23  C   LIG    1        2.065   2.248  -3.137  0.00  0.00    +0.254 C 
ATOM     24  N   LIG    1        2.601   3.370  -2.546  0.00  0.00    -0.232 N 
ATOM     25  H   LIG    1        2.053   4.179  -2.272  0.00  0.00    +0.173 HD
BRANCH  24  26
ATOM     26  N   LIG    1        3.909   3.252  -2.002  0.00  0.00    -0.247 N 
ATOM     27  H   LIG    1        4.338   2.386  -2.366  0.00  0.00    +0.172 HD
BRANCH  26  28
ATOM     28  C   LIG    1        3.860   3.019  -0.606  0.00  0.00    +0.153 A 
ATOM     29  N   LIG    1        4.257   1.808  -0.164  0.00  0.00    -0.236 NA
ATOM     30  C   LIG    1        4.157   1.597   1.170  0.00  0.00    +0.132 A 
ATOM     31  C   LIG    1        3.684   2.560   2.045  0.00  0.00    +0.130 A 
ATOM     32  N   LIG    1        3.295   3.783   1.625  0.00  0.00    -0.258 NA
ATOM     33  C   LIG    1        3.401   3.988   0.288  0.00  0.00    +0.155 A 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  20  23
ENDBRANCH   1  21
TORSDOF 7