REMARK  Name = BDB017305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.524   0.256   0.878  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        4.602  -0.576   0.203  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        3.290  -0.089  -0.095  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1        2.942   1.227   0.287  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.662   1.736   0.005  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.696   0.964  -0.652  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.023  -0.334  -1.035  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.877   2.028   0.951  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.297  -0.847  -0.759  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.153   1.550   1.244  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.655   0.466   1.943  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.766  -0.277   1.119  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -0.646   1.581  -0.913  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -0.784   2.787  -0.710  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.799   0.712  -1.428  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -2.304  -0.261  -0.341  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -3.550   0.093   0.364  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -3.725   1.550   0.410  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -3.823   2.212  -0.965  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -2.927   1.564  -2.021  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.718  -0.578  -0.226  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -4.706  -2.084   0.161  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -6.221  -1.944   0.420  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -5.945  -0.455   0.719  0.00  0.00    +0.019 C 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   2  25
ATOM     25  C   LIG    1        5.022  -1.970  -0.212  0.00  0.00    +0.195 C 
BRANCH  25  26
ATOM     26  O   LIG    1        4.256  -2.945   0.487  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1        4.730  -3.788   0.392  0.00  0.00    +0.210 HD
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6