REMARK  Name = BDB033070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.454   2.350  -3.224  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.821   1.769  -2.357  0.00  0.00    +0.218 C 
ATOM      3  N   LIG    1       -1.278   1.415  -1.103  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.255   0.782  -0.305  0.00  0.00    +0.130 C 
ATOM      5  C   LIG    1        0.798   0.358  -1.331  0.00  0.00    +0.098 C 
ATOM      6  C   LIG    1        0.628   1.370  -2.465  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.158   0.381  -0.804  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1        2.620   1.284  -0.800  0.00  0.00    +0.148 HD
BRANCH   7   9
ATOM      9  C   LIG    1        2.554  -0.550   0.094  0.00  0.00    +0.148 A 
ATOM     10  C   LIG    1        3.785  -0.469   0.808  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        3.801  -1.597   1.620  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        4.849  -1.899   2.495  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        5.922  -1.003   2.534  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        5.940   0.138   1.731  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1        2.632  -2.249   1.341  0.00  0.00    -0.275 N 
ATOM     16  H   LIG    1        2.302  -3.119   1.740  0.00  0.00    +0.189 HD
ATOM     17  C   LIG    1        4.878   0.419   0.861  0.00  0.00    +0.013 A 
ATOM     18  N   LIG    1        1.857  -1.635   0.433  0.00  0.00    -0.158 NA
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   3  19
ATOM     19  C   LIG    1       -2.590   1.748  -0.585  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.465   0.520  -0.442  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -3.842  -0.013   0.812  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -4.652  -1.166   0.847  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -5.078  -1.782  -0.329  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.706  -1.258  -1.561  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.908  -0.117  -1.618  0.00  0.00    +0.006 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -3.414   0.626   2.114  0.00  0.00    +0.418 C 
ATOM     27  F   LIG    1       -2.061   0.732   2.232  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -3.825  -0.054   3.222  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -3.901   1.890   2.257  0.00  0.00    -0.166 F 
ENDBRANCH  21  26
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5