REMARK  Name = BDB017195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.401   0.374  -0.121  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1       -4.090  -0.169  -0.083  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -2.990   0.691   0.154  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -1.682   0.169   0.196  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -1.439  -1.196   0.006  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -2.524  -2.046  -0.226  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.216   2.061   0.348  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -4.506   2.584   0.308  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.826  -1.540  -0.270  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.595   1.746   0.074  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -7.746  -0.014  -0.400  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -6.419  -0.520  -0.356  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   5  13
ATOM     13  C   LIG    1       -0.067  -1.799   0.039  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1        0.043  -3.020  -0.069  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1        1.154  -0.902   0.221  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1        2.401  -1.572  -0.386  0.00  0.00    +0.095 C 
ATOM     17  N   LIG    1        3.635  -0.781  -0.221  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1        3.868  -0.488   1.201  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1        2.679   0.165   1.913  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1        1.391  -0.626   1.708  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1        3.668   0.407  -1.077  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.023   0.677  -1.677  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1        6.320   0.065  -1.193  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        6.037   1.515  -0.932  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   5  13
TORSDOF 5