REMARK  Name = BDB060653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.776  -3.044  -1.983  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.696  -2.310  -1.002  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.663  -2.244  -0.016  0.00  0.00    -0.290 N 
ATOM      4  C   LIG    1       -1.658  -1.411   1.190  0.00  0.00    +0.107 C 
ATOM      5  C   LIG    1       -2.801  -1.984   2.043  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1       -3.743  -2.618   1.026  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -2.796  -3.150  -0.037  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.829   0.071   0.904  0.00  0.00    -0.027 A 
ATOM      9  C   LIG    1       -1.095   1.003   1.660  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -1.217   2.372   1.417  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -2.075   2.818   0.421  0.00  0.00    +0.123 A 
ATOM     12  F   LIG    1       -2.186   4.131   0.184  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.816   1.920  -0.336  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -2.695   0.550  -0.095  0.00  0.00    +0.008 A 
ENDBRANCH   4   8
BRANCH   2  15
ATOM     15  C   LIG    1        0.477  -1.424  -0.883  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        1.476  -1.695   0.049  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        2.558  -0.817   0.168  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        2.674   0.333  -0.636  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        1.669   0.551  -1.596  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        0.580  -0.319  -1.725  0.00  0.00    +0.015 A 
BRANCH  18  21
ATOM     21  N   LIG    1        3.755   1.196  -0.488  0.00  0.00    -0.206 N 
ATOM     22  N   LIG    1        4.638   1.073   0.569  0.00  0.00    -0.171 NA
ATOM     23  C   LIG    1        5.358   2.151   0.507  0.00  0.00    +0.202 C 
ATOM     24  N   LIG    1        5.077   3.021  -0.507  0.00  0.00    -0.317 N 
ATOM     25  H   LIG    1        5.052   4.000  -0.263  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1        3.891   2.489  -1.155  0.00  0.00    +0.236 C 
ENDBRANCH  18  21
ENDBRANCH   2  15
TORSDOF 3