REMARK  Name = BDB046279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        7.132  -1.642  -0.848  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        5.977  -1.284  -0.643  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        5.668  -0.003   0.051  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        4.328   0.370   0.267  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        4.082   1.587   0.926  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        5.134   2.402   1.354  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        6.454   2.015   1.131  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.252  -0.513  -0.197  0.00  0.00    +0.097 A 
ATOM      9  C   LIG    1        3.576  -1.704  -0.843  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1        2.552  -2.526  -1.280  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        1.235  -2.130  -1.050  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        0.963  -0.929  -0.386  0.00  0.00    +0.122 A 
ATOM     13  N   LIG    1        1.970  -0.127   0.026  0.00  0.00    -0.230 NA
ATOM     14  C   LIG    1        6.724   0.813   0.480  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        4.914  -2.059  -1.050  0.00  0.00    -0.320 N 
ATOM     16  H   LIG    1        5.151  -2.923  -1.521  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  12  17
ATOM     17  N   LIG    1       -0.372  -0.538  -0.170  0.00  0.00    -0.315 N 
ATOM     18  C   LIG    1       -1.163  -1.547   0.551  0.00  0.00    +0.108 C 
ATOM     19  C   LIG    1       -2.419  -0.943   1.190  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -3.012   0.153   0.288  0.00  0.00    +0.060 C 
ATOM     21  C   LIG    1       -1.969   1.292   0.177  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -0.517   0.829   0.332  0.00  0.00    +0.108 C 
BRANCH  20  23
ATOM     23  N   LIG    1       -4.320   0.646   0.800  0.00  0.00    -0.299 NA
ATOM     24  C   LIG    1       -5.395  -0.360   0.688  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1       -5.956  -0.231  -0.723  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -5.561   1.165  -1.176  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -4.872   1.779   0.031  0.00  0.00    +0.085 C 
ENDBRANCH  20  23
ENDBRANCH  12  17
TORSDOF 2