REMARK  Name = BDB046084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.200   0.505   1.643  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.032   0.597   1.263  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -4.704   0.372  -0.167  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -3.400   0.099  -0.642  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -3.226  -0.152  -2.005  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -4.279  -0.139  -2.928  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -5.558   0.133  -2.446  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -1.891  -0.402  -2.208  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1       -1.483  -0.639  -3.101  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -1.189  -0.322  -1.030  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -2.104   0.007  -0.038  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -1.815   0.259   1.405  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -2.713   1.349   1.982  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.769   0.378  -1.091  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -4.078   0.909   2.197  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -4.489   1.088   3.105  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        0.249  -0.569  -0.972  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        1.128   0.146  -1.793  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        2.504  -0.091  -1.734  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        3.026  -1.051  -0.857  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1        2.143  -1.762  -0.032  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        0.767  -1.524  -0.092  0.00  0.00    +0.010 A 
BRANCH  20  23
ATOM     23  C   LIG    1        4.512  -1.296  -0.781  0.00  0.00    +0.156 C 
BRANCH  23  24
ATOM     24  N   LIG    1        5.165  -0.357   0.122  0.00  0.00    -0.349 N 
ATOM     25  C   LIG    1        5.317  -0.533   1.475  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1        6.017   0.547   1.968  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        6.308   1.396   0.874  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        5.779   0.810  -0.255  0.00  0.00    +0.086 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  10  17
TORSDOF 3