REMARK  Name = BDB017217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.226  -0.216   2.272  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1       -0.239  -0.029   1.055  0.00  0.00    +0.167 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.025  -0.255   0.281  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.199  -0.530   0.997  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        3.426  -0.751   0.344  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1        4.653  -1.047   1.172  0.00  0.00    +0.035 C 
ATOM      7  C   LIG    1        5.738   0.021   1.038  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        6.584  -0.113  -0.227  0.00  0.00    +0.001 C 
ATOM      9  C   LIG    1        5.826   0.115  -1.534  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1        4.755  -0.937  -1.820  0.00  0.00    +0.035 C 
ATOM     11  C   LIG    1        3.473  -0.700  -1.059  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1        2.294  -0.432  -1.773  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        1.082  -0.211  -1.112  0.00  0.00    +0.011 A 
ENDBRANCH   2   3
BRANCH   2  14
ATOM     14  C   LIG    1       -1.497   0.447   0.332  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1       -2.738   0.209   1.211  0.00  0.00    +0.096 C 
ATOM     16  N   LIG    1       -4.019   0.595   0.571  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -3.864   1.736  -0.351  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -2.714   2.663   0.037  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -1.375   1.933  -0.036  0.00  0.00    +0.014 C 
BRANCH  16  20
ATOM     20  C   LIG    1       -4.611  -0.565  -0.133  0.00  0.00    +0.057 C 
ATOM     21  C   LIG    1       -5.260  -1.526   0.906  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -6.575  -0.737   0.760  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -6.059  -0.255  -0.608  0.00  0.00    +0.019 C 
ENDBRANCH  16  20
ENDBRANCH   2  14
TORSDOF 3