REMARK  Name = BDB016498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.519  -3.783  -3.906  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.144  -3.122  -2.942  0.00  0.00    +0.248 C 
ATOM      3  C   LIG    1       -1.067  -2.944  -1.799  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -1.992  -1.900  -1.749  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -2.760  -1.721  -0.590  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -2.662  -2.656   0.454  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -1.783  -3.735   0.369  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.565  -0.527  -0.421  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -4.327   0.246  -1.325  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -4.795   1.373  -0.772  0.00  0.00    -0.179 NA
ATOM     11  N   LIG    1       -4.297   1.340   0.477  0.00  0.00    -0.271 N 
ATOM     12  C   LIG    1       -4.428   2.482   1.359  0.00  0.00    +0.143 C 
ATOM     13  C   LIG    1       -3.425   3.619   1.102  0.00  0.00    +0.023 C 
ATOM     14  C   LIG    1       -1.952   3.176   1.042  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -1.504   2.897  -0.396  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -0.376   1.870  -0.503  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -0.224   1.472  -1.891  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -0.825   1.911  -2.577  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        0.336   0.319  -2.388  0.00  0.00    +0.266 C 
ATOM     20  O   LIG    1        0.051   0.020  -3.550  0.00  0.00    -0.268 OA
ATOM     21  C   LIG    1        1.252  -0.500  -1.573  0.00  0.00    +0.168 A 
ATOM     22  C   LIG    1        1.660  -1.847  -1.850  0.00  0.00    +0.084 A 
ATOM     23  C   LIG    1        2.772  -2.052  -1.070  0.00  0.00    +0.132 A 
ATOM     24  N   LIG    1        2.882  -0.947  -0.278  0.00  0.00    -0.266 N 
ATOM     25  N   LIG    1        1.968   0.004  -0.546  0.00  0.00    -0.164 NA
ATOM     26  C   LIG    1       -3.607   0.195   0.753  0.00  0.00    +0.116 A 
ATOM     27  C   LIG    1       -0.972  -3.871  -0.752  0.00  0.00    +0.013 A 
ATOM     28  N   LIG    1        1.179  -2.773  -2.758  0.00  0.00    -0.278 N 
ATOM     29  H   LIG    1        1.840  -3.369  -3.238  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  24  30
ATOM     30  C   LIG    1        3.874  -0.729   0.767  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1        4.701   0.534   0.525  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        5.769   0.684   1.604  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1        5.433   0.013   2.820  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        4.050   0.123   3.139  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1        3.233  -0.712   2.163  0.00  0.00    +0.055 C 
ENDBRANCH  24  30
TORSDOF 1