REMARK  Name = BDB017168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.173   0.615  -0.841  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        5.227  -0.338  -0.457  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        3.862  -0.004  -0.368  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.446   1.311  -0.671  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.083   1.642  -0.581  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        1.126   0.690  -0.197  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.546  -0.609   0.102  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.404   2.259  -1.054  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.900  -0.950   0.016  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.753   1.911  -1.138  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        8.004  -0.895  -0.675  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        7.520   0.411  -0.963  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.308   1.123  -0.127  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -0.582   2.298  -0.377  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.387   0.121   0.270  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -2.747   0.553  -0.306  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -3.804  -0.402   0.083  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -3.945  -0.448   1.545  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -2.634  -0.889   2.201  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.472   0.011   1.794  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.066  -0.148  -0.646  0.00  0.00    +0.050 C 
ATOM     22  C   LIG    1       -5.849   1.093  -0.202  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -5.972  -1.385  -0.596  0.00  0.00    +0.024 C 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 4