REMARK  Name = BDB017210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.869  -0.402   2.220  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1        1.440  -0.720   1.115  0.00  0.00    +0.168 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.381  -0.866  -0.022  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.162   0.230  -0.472  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1        4.019   0.019  -1.580  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        4.803   1.077  -2.069  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        4.752   2.341  -1.481  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.917   2.563  -0.394  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.082  -1.247  -2.186  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        3.312  -2.311  -1.719  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.131   1.522   0.105  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.460  -2.123  -0.637  0.00  0.00    +0.012 A 
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  C   LIG    1       -0.034  -0.969   0.833  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -0.836   0.269   1.250  0.00  0.00    +0.095 C 
ATOM     15  N   LIG    1       -2.280   0.154   0.980  0.00  0.00    -0.301 NA
ATOM     16  C   LIG    1       -2.786  -1.224   1.091  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1       -1.967  -2.079   2.057  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -0.523  -2.221   1.573  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -2.653   0.790  -0.289  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.145   0.929  -0.407  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1       -4.894   1.914   0.455  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.752   2.168  -1.019  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   2  13
TORSDOF 4