REMARK  Name = BDB017233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.009   1.125  -0.442  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1        0.028   1.658  -1.551  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.284   0.526   0.059  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.222   0.090  -0.886  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.438  -0.487  -0.485  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.719  -0.621   0.891  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        4.936  -1.200   1.288  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        5.870  -1.644   0.347  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        5.588  -1.509  -1.010  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.780  -0.170   1.831  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.381  -0.935  -1.423  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.572   0.403   1.421  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        7.006  -2.185   0.883  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        7.993  -2.645  -0.032  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1       -2.410   1.919  -0.182  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.248   1.087   0.441  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -1.673  -0.369   0.741  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -2.636  -0.859  -0.251  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -3.910  -0.126  -0.154  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.754   1.340   0.278  0.00  0.00    +0.019 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -2.870  -2.300  -0.077  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -3.643  -2.868  -1.299  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -2.670  -4.065  -1.252  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -1.650  -3.103  -0.607  0.00  0.00    +0.019 C 
ENDBRANCH  18  21
BRANCH  15  25
ATOM     25  C   LIG    1       -2.253   3.411   0.182  0.00  0.00    +0.004 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -2.948   5.792  -0.263  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -3.227   4.327  -0.563  0.00  0.00    -0.003 C 
ENDBRANCH  25  27
ENDBRANCH  15  25
ENDBRANCH   1  16
TORSDOF 6