REMARK  Name = BDB017111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.010  -0.127   0.082  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        2.112  -0.911  -0.287  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        3.307  -0.829   0.428  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        3.404   0.009   1.540  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.315   0.796   1.911  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.122   0.733   1.183  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.201  -0.873  -1.789  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -0.243  -0.246  -0.731  0.00  0.00    +0.168 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.525   0.423  -0.244  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1       -2.753  -0.356  -0.757  0.00  0.00    +0.095 C 
ATOM     11  N   LIG    1       -3.958   0.455  -0.539  0.00  0.00    -0.301 NA
ATOM     12  C   LIG    1       -3.959   1.637  -1.420  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -2.558   2.150  -1.780  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -1.556   1.905  -0.657  0.00  0.00    +0.014 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -5.203  -0.305  -0.704  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.410  -1.245   0.450  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -6.777  -1.408   1.069  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -5.685  -0.716   1.836  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  O   LIG    1        4.332  -1.657   0.031  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.588  -1.103  -0.061  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        6.641  -1.815   0.515  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        7.943  -1.321   0.428  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        8.191  -0.126  -0.248  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.141   0.573  -0.844  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.838   0.082  -0.758  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6