REMARK  Name = BDB006084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.646   1.697  -0.181  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.479   1.553   0.164  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.743   0.319  -0.145  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.429   0.229   0.274  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -2.638  -0.903   0.031  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -1.291  -1.005   0.455  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -0.797   0.017   1.103  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -1.526   1.155   1.369  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -1.094   1.911   1.884  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.222  -1.965  -0.661  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -4.554  -1.890  -1.094  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.828   1.351   1.002  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -3.480   2.442   1.275  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -5.318  -0.747  -0.837  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -4.781   2.522   0.855  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -5.276   3.380   1.077  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        0.659  -0.033   1.563  0.00  0.00    +0.155 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.497   0.855   0.744  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1        1.083   1.784   0.701  0.00  0.00    +0.122 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.703   0.372  -0.631  0.00  0.00    +0.086 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.598  -0.872  -0.774  0.00  0.00    +0.050 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.048  -0.616  -0.447  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        4.509  -0.680   0.870  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        5.848  -0.427   1.122  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1        6.750  -0.120   0.165  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        6.285  -0.058  -1.101  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        4.963  -0.291  -1.452  0.00  0.00    +0.023 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 5