REMARK  Name = BDB027880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.906  -1.605   0.404  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.909  -2.363   1.044  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        3.224  -2.009   0.741  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        4.218  -2.757   1.353  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        4.025  -3.788   2.218  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        2.749  -4.092   2.505  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.533  -1.014  -0.098  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.506  -0.324  -0.613  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1        1.672  -3.423   1.953  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        1.207  -0.566  -0.392  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.841   0.732  -1.546  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        2.190   1.966  -1.832  0.00  0.00    +0.176 A 
ATOM     13  N   LIG    1        2.848   2.646  -2.798  0.00  0.00    -0.169 NA
ATOM     14  N   LIG    1        3.902   1.872  -3.092  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        4.555   2.195  -3.800  0.00  0.00    +0.188 HD
ATOM     16  C   LIG    1        3.950   0.722  -2.369  0.00  0.00    +0.117 A 
BRANCH  12  17
ATOM     17  C   LIG    1        0.960   2.504  -1.158  0.00  0.00    +0.437 C 
ATOM     18  F   LIG    1        0.771   3.836  -1.381  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1       -0.177   1.890  -1.580  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        1.014   2.363   0.194  0.00  0.00    -0.164 F 
ENDBRANCH  12  17
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1       -0.433  -1.980   0.609  0.00  0.00    -0.323 N 
ATOM     22  H   LIG    1       -0.516  -2.966   0.369  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -1.595  -1.217   0.095  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -2.833  -2.069   0.483  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -1.571  -1.125  -1.438  0.00  0.00    +0.031 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -1.687   0.157   0.813  0.00  0.00    +0.040 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.797   1.089   0.294  0.00  0.00    +0.086 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -4.227   2.986   0.696  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1       -3.065   2.237   1.183  0.00  0.00    -0.308 NA
ATOM     30  C   LIG    1       -1.913   3.135   1.294  0.00  0.00    +0.104 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7