REMARK  Name = BDB033074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.036  -0.221   2.004  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.861  -0.831   0.926  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        2.168  -0.830   1.539  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        2.252   0.083   2.577  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        3.253   0.374   3.210  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.898   0.723   2.758  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.263  -0.265   0.948  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1       -1.215   0.442   1.482  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -1.219   1.459   1.382  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.287  -1.493   0.936  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -6.736  -0.183  -1.183  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1       -5.578   0.627  -0.687  0.00  0.00    -0.034 A 
ATOM     13  C   LIG    1       -4.454  -0.088  -0.107  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -3.369   0.554   0.369  0.00  0.00    +0.101 A 
ATOM     15  C   LIG    1       -3.340   2.045   0.282  0.00  0.00    +0.261 A 
ATOM     16  O   LIG    1       -2.385   2.707   0.684  0.00  0.00    -0.267 OA
ATOM     17  N   LIG    1       -4.441   2.647  -0.281  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1       -4.414   3.659  -0.335  0.00  0.00    +0.168 HD
ATOM     19  C   LIG    1       -5.532   1.966  -0.753  0.00  0.00    +0.089 A 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        3.317  -1.479   0.938  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.841  -0.726  -0.270  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        3.671  -1.186  -1.597  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        4.177  -0.411  -2.659  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        4.841   0.792  -2.422  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.013   1.241  -1.119  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.519   0.490  -0.053  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1        2.971  -2.489  -1.911  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1        2.901  -2.767  -3.244  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        3.587  -3.564  -1.345  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        1.685  -2.514  -1.465  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5