REMARK  Name = BDB027657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.501   0.813  -0.413  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.016   1.997  -0.969  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.403   2.140  -0.899  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.925   3.309  -1.431  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.214   4.311  -2.014  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.116   4.134  -2.083  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.205   1.214  -0.357  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.625   0.102   0.117  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.754   3.014  -1.584  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.300  -0.127   0.104  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.499  -0.934   0.698  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.890  -0.759   0.781  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.673  -1.759   1.335  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.180  -2.919   1.812  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        2.846  -3.085   1.730  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        1.984  -2.141   1.193  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.885   0.603  -0.430  0.00  0.00    -0.315 N 
ATOM     18  H   LIG    1       -2.352   1.418  -0.032  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -2.054  -1.873  -0.762  0.00  0.00    +0.040 C 
ATOM     20  C   LIG    1       -2.533  -0.660   0.051  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1       -2.287  -0.862   1.556  0.00  0.00    +0.040 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.079  -0.552  -0.151  0.00  0.00    +0.410 C 
ATOM     23  F   LIG    1       -4.571   0.526   0.512  0.00  0.00    -0.168 F 
ATOM     24  F   LIG    1       -4.733  -1.642   0.310  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1       -4.411  -0.400  -1.455  0.00  0.00    -0.168 F 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4