REMARK  Name = BDB017161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.838   1.513  -1.819  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        5.273   0.615  -0.740  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1        3.885   0.691  -0.410  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.363  -0.155   0.602  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.999  -0.102   0.946  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        1.126   0.776   0.298  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.629   1.622  -0.691  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.211  -1.049   1.266  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        5.564  -1.121   0.944  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.983   1.577  -1.039  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        6.101  -0.298  -0.051  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.330   0.865   0.630  0.00  0.00    +0.167 C 
ATOM     13  O   LIG    1       -0.915   1.911   0.353  0.00  0.00    -0.292 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -1.025  -0.319   1.312  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1       -2.483  -0.001   1.701  0.00  0.00    +0.095 C 
ATOM     16  N   LIG    1       -3.525  -0.233   0.690  0.00  0.00    -0.301 NA
ATOM     17  C   LIG    1       -3.326  -1.442  -0.115  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -2.232  -2.367   0.413  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -0.911  -1.613   0.491  0.00  0.00    +0.014 C 
BRANCH  16  20
ATOM     20  C   LIG    1       -3.796   0.959  -0.126  0.00  0.00    +0.088 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.206   1.109  -0.631  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -6.369   0.292  -0.120  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.889   0.112  -1.536  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH  11  24
ATOM     24  C   LIG    1        7.506  -0.426  -0.331  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1        8.640  -0.538  -0.549  0.00  0.00    -0.191 NA
ENDBRANCH  11  24
TORSDOF 5