REMARK  Name = BDB031516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.322  -3.247   0.801  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.520  -2.805  -0.309  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -1.777  -2.224   0.370  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1       -1.393  -2.114   1.849  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        0.119  -2.275   1.866  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        1.705  -3.578   0.473  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1        5.686   1.432  -0.761  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        5.620   1.239   0.726  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        6.249   1.951   1.502  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        4.821   0.225   1.189  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        4.789   0.111   2.193  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        4.094  -0.623   0.347  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.162  -0.456  -1.034  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        3.498  -1.230  -1.917  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        2.728  -2.212  -1.390  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        2.584  -2.459  -0.024  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        3.297  -1.639   0.860  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        4.997   0.611  -1.574  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        5.919   3.906  -1.139  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        6.569   2.535  -1.274  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   3  21
ATOM     21  O   LIG    1       -2.035  -0.932  -0.190  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.282  -0.399  -0.052  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -4.328  -0.917   0.706  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -5.546  -0.240   0.749  0.00  0.00    +0.157 A 
ATOM     25  F   LIG    1       -6.537  -0.760   1.484  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1       -5.685   0.940   0.031  0.00  0.00    +0.161 A 
ATOM     27  N   LIG    1       -4.678   1.482  -0.720  0.00  0.00    -0.244 NA
ATOM     28  C   LIG    1       -3.510   0.795  -0.735  0.00  0.00    +0.157 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.971   1.708   0.045  0.00  0.00    +0.265 C 
ATOM     30  N   LIG    1       -6.960   2.831  -0.761  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -6.068   3.068  -1.189  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -8.049   3.769  -0.786  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -7.934   1.372   0.720  0.00  0.00    -0.268 OA
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6