REMARK  Name = BDB033064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.476   1.308   1.348  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.866   0.582   1.246  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.814   1.654   1.066  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.211   2.811   0.604  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        1.771   3.841   0.266  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.274   2.568   0.510  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -1.584  -0.804   2.774  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.068  -0.535   1.679  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -1.613   0.516   0.911  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -1.833   0.489  -0.076  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.111  -1.337   1.070  0.00  0.00    +0.082 A 
ATOM     12  C   LIG    1       -4.083  -1.032   0.061  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.803  -2.207  -0.137  0.00  0.00    +0.136 A 
ATOM     14  C   LIG    1       -5.844  -2.350  -1.052  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -6.179  -1.220  -1.803  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.501  -0.013  -1.625  0.00  0.00    +0.001 A 
ATOM     17  O   LIG    1       -4.356  -3.186   0.693  0.00  0.00    -0.462 OA
ATOM     18  C   LIG    1       -4.455   0.099  -0.695  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -3.354  -2.650   1.430  0.00  0.00    +0.209 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1        3.250   1.443   1.082  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.746   0.755  -0.176  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        4.166  -0.596  -0.200  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        4.596  -1.157  -1.419  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        4.616  -0.403  -2.592  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.208   0.925  -2.568  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.778   1.498  -1.372  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1        4.178  -1.455   1.045  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1        4.988  -0.955   2.018  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        2.943  -1.575   1.607  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        4.607  -2.730   0.828  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5