REMARK  Name = BDB059444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.169   0.668   0.049  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        3.266  -0.327   0.472  0.00  0.00    +0.171 A 
ATOM      3  C   LIG    1        1.866  -0.131   0.336  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        1.382   1.038  -0.271  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1        0.004   1.216  -0.412  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -0.891   0.245   0.053  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -2.350   0.366  -0.120  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.123  -0.703  -0.676  0.00  0.00    -0.035 A 
ATOM      9  C   LIG    1       -4.513  -0.573  -0.840  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1       -5.104   0.608  -0.455  0.00  0.00    +0.167 A 
ATOM     11  O   LIG    1       -6.428   0.899  -0.541  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1       -6.451   2.243  -0.013  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1       -5.146   2.712   0.395  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1       -4.375   1.640   0.077  0.00  0.00    +0.167 A 
ATOM     15  C   LIG    1       -2.449  -1.992  -1.083  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -1.914  -2.769   0.121  0.00  0.00    +0.026 C 
ATOM     17  C   LIG    1       -1.318  -1.904   1.226  0.00  0.00    +0.122 C 
ATOM     18  C   LIG    1       -3.010   1.553   0.257  0.00  0.00    +0.059 A 
ATOM     19  N   LIG    1       -0.407  -0.879   0.654  0.00  0.00    -0.346 N 
ATOM     20  C   LIG    1        2.289   2.001  -0.727  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        0.928  -1.067   0.787  0.00  0.00    +0.098 A 
ATOM     22  C   LIG    1        3.665   1.820  -0.563  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  24
ATOM     23  C   LIG    1        6.418   1.494  -0.058  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        5.500   0.463   0.287  0.00  0.00    -0.491 OA
ENDBRANCH   1  24
BRANCH   2  25
ATOM     25  O   LIG    1        3.612  -1.511   1.086  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        4.834  -2.121   0.672  0.00  0.00    +0.277 C 
ENDBRANCH   2  25
TORSDOF 2