REMARK  Name = BDB060630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.131  -0.575   1.825  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        0.021  -1.109   0.971  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.276   0.164   2.027  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1        1.482   0.832   3.036  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.275   0.146   0.921  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1        3.007   1.312   0.618  0.00  0.00    +0.061 A 
ATOM      7  N   LIG    1        2.713   2.554   1.234  0.00  0.00    -0.331 N 
ATOM      8  H   LIG    1        2.332   2.392   2.176  0.00  0.00    +0.147 HD
ATOM      9  C   LIG    1        3.838   3.505   1.238  0.00  0.00    +0.154 C 
ATOM     10  C   LIG    1        4.558   3.584  -0.122  0.00  0.00    +0.237 C 
ATOM     11  N   LIG    1        4.622   2.410  -0.834  0.00  0.00    -0.282 N 
ATOM     12  H   LIG    1        5.176   2.427  -1.678  0.00  0.00    +0.155 HD
ATOM     13  O   LIG    1        5.141   4.586  -0.534  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1        3.324   4.876   1.660  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1        3.915   1.260  -0.459  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1        4.112   0.085  -1.191  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        3.401  -1.074  -0.867  0.00  0.00    -0.048 A 
ATOM     18  C   LIG    1        3.635  -2.348  -1.625  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        2.499  -1.043   0.204  0.00  0.00    +0.018 A 
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  C   LIG    1       -0.893  -0.692   2.844  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.222  -1.147   2.254  0.00  0.00    +0.037 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.928  -0.024   1.481  0.00  0.00    +0.106 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -1.112  -0.956  -2.320  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -1.795  -0.486  -1.192  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -3.044  -1.008  -0.800  0.00  0.00    +0.036 A 
ATOM     26  N   LIG    1       -3.712  -0.555   0.349  0.00  0.00    -0.330 N 
ATOM     27  C   LIG    1       -4.960  -1.234   0.728  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1       -5.792  -1.585  -0.490  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -4.995  -2.536  -1.365  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -3.623  -1.978  -1.648  0.00  0.00    -0.026 A 
ATOM     31  C   LIG    1       -2.921  -2.476  -2.759  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -1.663  -1.978  -3.081  0.00  0.00    +0.046 A 
BRANCH  23  34
ATOM     33  C   LIG    1        0.356   0.879  -2.503  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        0.115  -0.508  -2.731  0.00  0.00    -0.495 OA
ENDBRANCH  23  34
ENDBRANCH  22  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6