REMARK  Name = BDB027645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.415   0.447   0.455  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -0.473   1.696  -0.192  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.651   2.011  -0.960  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.631   3.239  -1.605  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.375   4.151  -1.563  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.449   3.815  -0.832  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.706   1.197  -1.094  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.653   0.016  -0.463  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.547   2.621  -0.141  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.630  -0.382   0.307  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.791  -0.907  -0.621  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.939  -0.544  -1.342  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.983  -1.448  -1.462  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.973  -2.683  -0.921  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        3.867  -3.028  -0.233  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.775  -2.193  -0.059  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.412  -0.062   1.285  0.00  0.00    -0.306 N 
ATOM     18  C   LIG    1       -1.629   0.696   2.511  0.00  0.00    +0.131 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -3.363  -1.551   1.585  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -2.585  -0.677   0.589  0.00  0.00    +0.175 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.260  -1.552  -0.657  0.00  0.00    +0.408 C 
ATOM     22  F   LIG    1       -3.410  -2.055  -1.181  0.00  0.00    -0.169 F 
ATOM     23  F   LIG    1       -1.465  -2.604  -0.369  0.00  0.00    -0.169 F 
ATOM     24  F   LIG    1       -1.683  -0.836  -1.650  0.00  0.00    -0.169 F 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4