REMARK  Name = BDB030886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.907   1.573  -0.891  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.610   2.685  -0.488  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.944   2.455  -0.252  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.536   1.253  -0.384  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.775   0.232  -0.778  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.468   0.348  -1.021  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.070  -0.307   0.106  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        4.006   0.635  -0.947  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.469   1.032  -2.101  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.754   1.193  -1.270  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.573   0.831  -0.624  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.513   1.599  -1.200  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.065   2.365  -2.207  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        1.638  -0.148   0.383  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.412   2.120  -2.233  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        3.077   2.547  -2.866  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        2.877  -0.709   0.727  0.00  0.00    +0.025 A 
BRANCH   7  20
ATOM     18  O   LIG    1        6.610   1.043   0.815  0.00  0.00    -0.226 OA
ATOM     19  C   LIG    1        6.434  -0.163   0.864  0.00  0.00    +0.407 C 
ATOM     20  N   LIG    1        5.292  -0.886   0.537  0.00  0.00    -0.233 N 
ATOM     21  C   LIG    1        5.394  -2.169   1.156  0.00  0.00    +0.158 C 
ATOM     22  C   LIG    1        6.887  -2.351   1.229  0.00  0.00    +0.253 C 
ATOM     23  O   LIG    1        7.391  -1.021   1.356  0.00  0.00    -0.448 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -1.021   4.034  -0.305  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -1.861   4.888   0.352  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -0.734   4.656  -1.482  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        0.127   4.040   0.425  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -3.296  -1.030  -0.948  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -2.512  -1.672  -0.977  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.463  -1.487  -0.210  0.00  0.00    +0.088 C 
ATOM     31  C   LIG    1       -5.797  -0.860  -0.640  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -6.628  -0.865   0.581  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -6.968  -1.813   0.739  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -5.673  -0.524   1.642  0.00  0.00    +0.083 C 
ATOM     35  C   LIG    1       -4.398  -1.286   1.303  0.00  0.00    +0.038 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 5