REMARK  Name = BDB020982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.607   6.077  -0.811  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        2.827   5.258  -0.468  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        2.678   3.876  -0.438  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        1.364   3.228  -0.460  0.00  0.00    +0.163 C 
ATOM      5  C   LIG    1        1.471   1.774  -0.749  0.00  0.00    +0.064 A 
ATOM      6  N   LIG    1        2.676   1.119  -0.849  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1        2.435  -0.210  -1.050  0.00  0.00    +0.117 A 
ATOM      8  N   LIG    1        1.141  -0.446  -1.083  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1        3.955   1.787  -0.744  0.00  0.00    +0.142 C 
ATOM     10  C   LIG    1        0.529   0.775  -0.915  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1        3.806   3.077   0.051  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1        3.902   5.815  -0.247  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -0.913   0.917  -0.861  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -1.649   0.022  -0.065  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.053   0.139   0.014  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -4.121  -0.528   0.679  0.00  0.00    +0.103 A 
ATOM     17  N   LIG    1       -5.316  -0.019   0.348  0.00  0.00    -0.170 NA
ATOM     18  N   LIG    1       -5.019   0.985  -0.493  0.00  0.00    -0.266 N 
ATOM     19  C   LIG    1       -6.089   1.773  -1.057  0.00  0.00    +0.173 C 
ATOM     20  C   LIG    1       -3.677   1.134  -0.740  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -2.969   2.026  -1.558  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -1.577   1.897  -1.604  0.00  0.00    +0.012 A 
BRANCH  16  23
ATOM     23  C   LIG    1       -4.013  -1.647   1.611  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -4.994  -2.554   1.950  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1       -4.433  -3.394   2.862  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1       -5.064  -4.516   3.513  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1       -3.153  -3.093   3.154  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -2.906  -2.018   2.396  0.00  0.00    +0.144 A 
ENDBRANCH  16  23
ENDBRANCH  10  13
BRANCH   7  29
ATOM     29  C   LIG    1        3.513  -1.317  -1.238  0.00  0.00    +0.090 C 
ATOM     30  C   LIG    1        2.975  -2.759  -1.347  0.00  0.00    +0.120 C 
ATOM     31  N   LIG    1        4.061  -3.125  -0.445  0.00  0.00    -0.300 N 
ATOM     32  C   LIG    1        4.249  -4.275   0.276  0.00  0.00    +0.212 C 
ATOM     33  O   LIG    1        4.919  -4.312   1.306  0.00  0.00    -0.276 OA
ATOM     34  C   LIG    1        3.569  -5.497  -0.278  0.00  0.00    +0.109 C 
ATOM     35  C   LIG    1        4.219  -1.765   0.054  0.00  0.00    +0.120 C 
ENDBRANCH   7  29
TORSDOF 3