REMARK  Name = BDB027730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.931  -0.510  -0.574  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.580  -1.325  -1.667  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -0.789  -1.516  -1.864  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -1.148  -2.307  -2.944  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.293  -2.913  -3.811  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.017  -2.724  -3.584  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.721  -0.977  -1.067  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -1.288  -0.233  -0.045  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1        1.498  -1.951  -2.544  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.000   0.006   0.241  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.302   0.347   0.848  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -3.529   0.867   0.385  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1       -4.428   1.354   1.329  0.00  0.00    +0.123 A 
ATOM     14  N   LIG    1       -4.200   1.384   2.660  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -3.017   0.905   3.083  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -2.057   0.388   2.232  0.00  0.00    +0.032 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -3.912   0.935  -1.065  0.00  0.00    +0.419 C 
ATOM     18  F   LIG    1       -2.914   1.385  -1.876  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -4.329  -0.257  -1.574  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -4.951   1.795  -1.290  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1        2.289  -0.250  -0.333  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        2.694   0.122  -1.190  0.00  0.00    +0.148 HD
BRANCH  21  24
ATOM     23  C   LIG    1        2.390  -0.188   2.157  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1        2.761   0.510   0.841  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        2.276   1.966   0.815  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1        4.304   0.524   0.743  0.00  0.00    +0.031 C 
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 4