REMARK  Name = BDB058687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.202   3.882  -2.909  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.460   2.776  -1.939  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        0.409   2.078  -1.177  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -0.895   2.358  -1.284  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        1.154   1.097  -0.342  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        0.692   0.347   0.496  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        2.489   1.307  -0.738  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        2.654   2.317  -1.681  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.649   0.638  -0.268  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        3.580  -0.392   0.681  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        4.740  -1.032   1.121  0.00  0.00    +0.169 A 
ATOM     12  F   LIG    1        4.633  -2.014   2.029  0.00  0.00    -0.201 F 
ATOM     13  C   LIG    1        5.984  -0.665   0.631  0.00  0.00    +0.188 A 
ATOM     14  C   LIG    1        6.061   0.352  -0.309  0.00  0.00    +0.169 A 
ATOM     15  F   LIG    1        7.260   0.713  -0.789  0.00  0.00    -0.201 F 
ATOM     16  C   LIG    1        4.915   1.001  -0.759  0.00  0.00    +0.067 A 
BRANCH  13  17
ATOM     17  O   LIG    1        7.113  -1.298   1.068  0.00  0.00    -0.502 OA
ATOM     18  H   LIG    1        7.871  -0.895   0.605  0.00  0.00    +0.292 HD
ENDBRANCH  13  17
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -1.918   1.641  -0.611  0.00  0.00    +0.129 A 
ATOM     20  O   LIG    1       -1.896   0.285  -0.402  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1       -3.026  -0.083   0.261  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1       -3.820   1.023   0.460  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -3.123   2.117  -0.110  0.00  0.00    +0.050 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.121  -1.498   0.596  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -4.274  -2.269   0.345  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -4.291  -3.624   0.730  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -3.181  -4.215   1.333  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.035  -3.462   1.559  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -2.006  -2.116   1.193  0.00  0.00    +0.012 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -5.487  -1.691  -0.338  0.00  0.00    +0.372 C 
ATOM     31  F   LIG    1       -6.374  -2.641  -0.759  0.00  0.00    -0.204 F 
ATOM     32  F   LIG    1       -6.206  -0.867   0.475  0.00  0.00    -0.204 F 
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   4  19
TORSDOF 5