REMARK  Name = BDB027720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.401   0.371  -0.170  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -0.306   1.691  -0.635  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.978   2.109  -0.972  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.088   3.413  -1.434  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.067   4.300  -1.579  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.157   3.861  -1.236  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.055   1.316  -0.863  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.869   0.069  -0.408  0.00  0.00    +0.165 A 
ATOM      9  C   LIG    1       -1.394   2.584  -0.765  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.673  -0.434  -0.057  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.037  -0.815  -0.270  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1        4.304  -0.477  -0.755  0.00  0.00    +0.152 A 
ATOM     13  F   LIG    1        4.538   0.677  -1.395  0.00  0.00    -0.203 F 
ATOM     14  C   LIG    1        5.362  -1.359  -0.588  0.00  0.00    +0.149 A 
ATOM     15  N   LIG    1        5.260  -2.559   0.027  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1        4.039  -2.885   0.492  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        2.925  -2.066   0.369  0.00  0.00    +0.034 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1       -1.689  -0.152   0.170  0.00  0.00    -0.312 N 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.666  -0.782   1.523  0.00  0.00    +0.069 C 
ATOM     20  C   LIG    1       -3.061  -1.300   1.903  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -1.247   0.234   2.600  0.00  0.00    +0.028 C 
ENDBRANCH  18  19
BRANCH  18  23
ATOM     22  C   LIG    1       -3.494  -0.695  -1.410  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -2.091  -1.053  -0.937  0.00  0.00    +0.103 C 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4