REMARK  Name = BDB034988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.659  -1.513   2.333  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.171  -0.641   1.221  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.279  -0.052   0.324  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -1.851   0.734  -0.698  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -0.975   1.316  -1.597  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.402   1.126  -1.487  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        0.884   0.337  -0.452  0.00  0.00    +0.075 A 
ATOM      8  N   LIG    1       -3.174   0.946  -0.843  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -4.000   0.370   0.041  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1        0.055  -0.239   0.448  0.00  0.00    -0.245 NA
ATOM     11  C   LIG    1       -3.547  -0.432   1.073  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.316   0.098  -0.253  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1        2.836  -1.202  -0.183  0.00  0.00    +0.133 A 
ATOM     14  F   LIG    1        2.031  -2.266  -0.332  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        4.197  -1.437   0.008  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        5.075  -0.364   0.137  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        4.587   0.940   0.073  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.220   1.168  -0.121  0.00  0.00    +0.013 A 
ENDBRANCH   7  12
BRANCH   9  19
ATOM     19  N   LIG    1       -5.361   0.583  -0.147  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -5.460   1.227  -0.927  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -5.808   0.933   0.692  0.00  0.00    +0.144 HD
ENDBRANCH   9  19
TORSDOF 2