REMARK  Name = BDB017840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.021  -0.150   0.256  0.00  0.00    +0.031 C 
ATOM      2  C   LIG    1       -0.724   1.223   0.076  0.00  0.00    +0.062 C 
ATOM      3  C   LIG    1       -2.195   1.019   0.184  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.863  -0.172  -0.011  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.173  -1.378  -0.369  0.00  0.00    +0.071 A 
ATOM      6  N   LIG    1       -2.724  -2.536  -0.536  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -4.038  -2.866  -0.403  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -4.204  -3.853  -0.583  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1       -5.221  -2.215  -0.122  0.00  0.00    +0.273 A 
ATOM     10  C   LIG    1       -5.340  -0.780   0.181  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -6.601  -0.221   0.457  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -6.723   1.129   0.758  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1       -5.619   1.980   0.803  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -4.372   1.411   0.527  0.00  0.00    +0.051 A 
ATOM     15  F   LIG    1       -7.937   1.633   1.018  0.00  0.00    -0.205 F 
ATOM     16  O   LIG    1       -6.257  -2.888  -0.120  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -4.224   0.055   0.215  0.00  0.00    +0.021 A 
ATOM     18  N   LIG    1       -3.115   1.980   0.499  0.00  0.00    -0.357 N 
ATOM     19  H   LIG    1       -2.915   2.953   0.693  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1       -0.669  -1.250  -0.623  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   1  24
ATOM     21  C   LIG    1        4.273   0.171  -0.364  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1        3.384   0.369  -1.429  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        2.003   0.266  -1.238  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        1.474  -0.039   0.023  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        2.362  -0.236   1.088  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.743  -0.133   0.897  0.00  0.00    +0.004 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.484  -1.039  -0.322  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1        5.769   0.286  -0.597  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        6.381   1.419   0.230  0.00  0.00    +0.012 C 
ENDBRANCH  21  28
ENDBRANCH   1  24
TORSDOF 2