REMARK  Name = BDB042613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.305   0.017  -1.969  0.00  0.00    +0.062 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -6.294  -2.393   0.638  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -6.330  -0.914   0.909  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -5.393  -0.019   0.348  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -5.494   1.356   0.647  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -4.515   2.302   0.059  0.00  0.00    +0.257 A 
ATOM      7  N   LIG    1       -3.550   1.758  -0.755  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -2.909   2.429  -1.163  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -3.432   0.420  -1.050  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -4.558   3.506   0.288  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -6.499   1.846   1.484  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -7.410   0.956   2.027  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -8.378   1.410   2.832  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -4.307  -0.462  -0.541  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -7.336  -0.406   1.750  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.948   0.092  -1.267  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.183  -0.347  -2.181  0.00  0.00    +0.216 C 
ATOM     18  N   LIG    1        1.475  -0.260  -1.667  0.00  0.00    -0.298 N 
ATOM     19  C   LIG    1        2.560  -0.836  -2.470  0.00  0.00    +0.126 C 
ATOM     20  C   LIG    1        3.912  -0.165  -2.209  0.00  0.00    +0.126 C 
ATOM     21  N   LIG    1        4.213  -0.035  -0.780  0.00  0.00    -0.298 N 
ATOM     22  C   LIG    1        5.561   0.004  -0.400  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1        6.451  -0.247  -1.222  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1        3.134   0.539   0.026  0.00  0.00    +0.126 C 
ATOM     25  C   LIG    1        1.775  -0.126  -0.238  0.00  0.00    +0.126 C 
ATOM     26  O   LIG    1       -0.041  -0.745  -3.324  0.00  0.00    -0.276 OA
BRANCH  22  27
ATOM     27  C   LIG    1        5.881   0.365   1.076  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1        5.668  -0.742   2.149  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        6.908  -0.191   2.875  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1        7.377   0.347   1.512  0.00  0.00    +0.013 C 
ENDBRANCH  22  27
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4