REMARK  Name = BDB017228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.057   0.603  -0.858  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1       -0.387   1.396  -1.740  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.470   0.273  -1.131  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.564  -0.386  -0.298  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.180  -0.160  -0.416  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.702   0.744  -1.389  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.320   0.968  -1.505  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.403   0.310  -0.671  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.883  -0.584   0.290  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.620   1.400  -2.221  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.257  -0.815   0.415  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.990   1.164  -2.090  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.376  -0.762  -0.154  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.831   0.136  -1.112  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.089  -0.077   0.041  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -2.475  -0.075  -0.629  0.00  0.00    +0.095 C 
ATOM     17  N   LIG    1       -3.505  -0.397   0.365  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -3.650   0.692   1.349  0.00  0.00    +0.087 C 
ATOM     19  C   LIG    1       -2.338   1.421   1.719  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -2.221   2.788   1.036  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -1.107   0.547   1.448  0.00  0.00    +0.017 C 
BRANCH  17  22
ATOM     22  C   LIG    1       -4.779  -0.723  -0.289  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.752  -1.308   0.695  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -6.657  -2.447   0.292  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.535  -2.688   1.264  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  15
TORSDOF 5