REMARK  Name = BDB017189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.040   0.981  -0.369  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1        1.133   2.208  -0.324  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        4.521  -0.104   0.553  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        3.453   0.589  -0.015  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        2.133   0.192   0.252  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1        1.882  -0.875   1.119  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        2.950  -1.570   1.684  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        4.261  -1.188   1.396  0.00  0.00    +0.045 A 
BRANCH   3  10
ATOM      9  C   LIG    1        6.164   1.316  -0.414  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1        5.848   0.171   0.368  0.00  0.00    -0.495 OA
ENDBRANCH   3  10
ENDBRANCH   1   5
BRANCH   1  11
ATOM     11  C   LIG    1       -0.153   0.308  -1.044  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -1.355   0.267  -0.092  0.00  0.00    +0.095 C 
ATOM     13  N   LIG    1       -2.555  -0.287  -0.748  0.00  0.00    -0.301 NA
ATOM     14  C   LIG    1       -2.296  -1.630  -1.290  0.00  0.00    +0.084 C 
ATOM     15  C   LIG    1       -1.150  -1.611  -2.302  0.00  0.00    +0.016 C 
ATOM     16  C   LIG    1        0.125  -1.058  -1.675  0.00  0.00    +0.014 C 
BRANCH  13  17
ATOM     17  C   LIG    1       -3.708  -0.329   0.164  0.00  0.00    +0.088 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.202   1.055   0.467  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1       -3.849   1.748   1.761  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -5.250   1.256   1.535  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   1  11
TORSDOF 5