REMARK  Name = BDB027647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.461   0.441   0.415  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -0.473   1.691  -0.232  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.715   2.022  -0.890  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.742   3.251  -1.531  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.275   4.152  -1.581  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.408   3.802  -0.955  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.788   1.220  -0.927  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.689   0.036  -0.306  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.557   2.604  -0.279  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.603  -0.376   0.364  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.847  -0.874  -0.360  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        4.053  -0.495  -0.968  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        5.114  -1.387  -0.993  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.067  -2.624  -0.460  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        3.905  -2.985   0.121  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.792  -2.162   0.194  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.525  -0.082   1.147  0.00  0.00    -0.306 N 
ATOM     18  C   LIG    1       -1.864   0.669   2.350  0.00  0.00    +0.131 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -3.478  -1.594   1.260  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -2.621  -0.708   0.343  0.00  0.00    +0.175 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.171  -1.575  -0.869  0.00  0.00    +0.408 C 
ATOM     22  F   LIG    1       -3.261  -2.090  -1.498  0.00  0.00    -0.169 F 
ATOM     23  F   LIG    1       -1.393  -2.619  -0.510  0.00  0.00    -0.169 F 
ATOM     24  F   LIG    1       -1.511  -0.850  -1.802  0.00  0.00    -0.169 F 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4