REMARK  Name = BDB055593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.970   2.016  -0.128  0.00  0.00    -0.477 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.260   1.432  -0.033  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        1.305   2.326   0.202  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.622   1.872   0.330  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.929   0.506   0.228  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        1.865  -0.381  -0.002  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        0.545   0.074  -0.129  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1        4.317   0.025   0.354  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        4.658  -1.048   1.193  0.00  0.00    +0.131 A 
ATOM     10  F   LIG    1        3.714  -1.668   1.920  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        5.972  -1.502   1.311  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.986  -0.886   0.583  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        6.679   0.178  -0.261  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.359   0.628  -0.374  0.00  0.00    +0.011 A 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -2.098   1.227  -0.527  0.00  0.00    +0.285 C 
BRANCH  15  17
ATOM     16  O   LIG    1       -3.050   3.391  -1.191  0.00  0.00    -0.247 OA
ATOM     17  C   LIG    1       -3.066   2.169  -1.259  0.00  0.00    +0.346 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -3.979   1.527  -2.032  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1       -3.946   0.550  -1.989  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
BRANCH  15  20
ATOM     20  C   LIG    1       -2.778   0.660   0.728  0.00  0.00    +0.091 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.772  -0.436   0.425  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -5.148  -0.166   0.433  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -6.066  -1.165   0.110  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.620  -2.444  -0.217  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.256  -2.726  -0.217  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.335  -1.728   0.103  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 7