REMARK  Name = BDB017196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.679   0.667   1.052  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1        0.547   0.291   2.215  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1  13
ATOM      3  C   LIG    1        1.942  -2.013   0.942  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        2.627  -0.798   0.360  0.00  0.00    -0.032 A 
ATOM      5  C   LIG    1        3.931  -0.914  -0.214  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        4.548   0.238  -0.768  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1        5.823   0.148  -1.351  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        6.511  -1.063  -1.391  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        5.932  -2.199  -0.845  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.892   1.473  -0.726  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.637   1.594  -0.136  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.663  -2.124  -0.263  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.005   0.470   0.403  0.00  0.00    +0.021 A 
ENDBRANCH   1  13
BRANCH   1  14
ATOM     14  C   LIG    1       -0.429   1.371   0.255  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1       -1.748   1.478   1.060  0.00  0.00    +0.095 C 
ATOM     16  N   LIG    1       -2.841   0.612   0.562  0.00  0.00    -0.301 NA
ATOM     17  C   LIG    1       -2.316  -0.717   0.245  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -1.392  -0.635  -0.975  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -0.673   0.710  -1.105  0.00  0.00    +0.014 C 
BRANCH  16  20
ATOM     20  C   LIG    1       -3.929   0.568   1.549  0.00  0.00    +0.088 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.192   0.048   0.921  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -6.524   0.681   1.245  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.923   0.858  -0.121  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   1  14
TORSDOF 4