REMARK  Name = BDB031125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.832   0.088  -1.722  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1        0.741   0.427  -1.014  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        0.297   1.702  -1.094  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.920   2.668  -1.874  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.036   2.301  -2.615  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        2.496   0.991  -2.540  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.860   2.014  -0.265  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1       -1.919   1.165   0.023  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1       -2.784   1.873   0.857  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -3.966   1.219   1.311  0.00  0.00    +0.058 A 
ATOM     11  C   LIG    1       -4.266  -0.039   0.907  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.324  -0.741   0.024  0.00  0.00    +0.030 A 
ATOM     13  N   LIG    1       -2.354   3.094   1.087  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1       -2.199  -0.137  -0.393  0.00  0.00    +0.094 A 
ATOM     15  C   LIG    1       -1.173   3.186   0.405  0.00  0.00    +0.141 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -5.458  -0.682   1.370  0.00  0.00    +0.138 A 
ATOM     17  N   LIG    1       -6.594   0.046   1.652  0.00  0.00    -0.344 N 
ATOM     18  H   LIG    1       -6.693   1.047   1.563  0.00  0.00    +0.167 HD
ATOM     19  C   LIG    1       -7.577  -0.824   2.039  0.00  0.00    +0.104 A 
ATOM     20  C   LIG    1       -7.003  -2.067   1.956  0.00  0.00    +0.130 A 
ATOM     21  N   LIG    1       -5.705  -1.971   1.527  0.00  0.00    -0.236 NA
ENDBRANCH  11  16
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  N   LIG    1        2.245  -1.241  -1.613  0.00  0.00    -0.322 N 
ATOM     23  H   LIG    1        1.424  -1.681  -1.179  0.00  0.00    +0.148 HD
BRANCH  22  26
ATOM     24  F   LIG    1        1.923  -2.051   1.126  0.00  0.00    -0.243 F 
ATOM     25  C   LIG    1        2.978  -1.247   0.800  0.00  0.00    +0.189 C 
ATOM     26  C   LIG    1        3.362  -1.509  -0.667  0.00  0.00    +0.119 C 
ATOM     27  C   LIG    1        4.687  -0.798  -0.998  0.00  0.00    +0.106 C 
ATOM     28  N   LIG    1        5.775  -1.153  -0.071  0.00  0.00    -0.314 NA
ATOM     29  H   LIG    1        5.986  -2.148  -0.162  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        5.405  -0.854   1.314  0.00  0.00    +0.084 C 
ATOM     31  C   LIG    1        4.133  -1.580   1.734  0.00  0.00    +0.054 C 
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 4