REMARK  Name = BDB047662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.431   2.909  -0.700  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.271   2.552  -0.696  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -3.781   1.172  -0.595  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -4.476  -0.006  -0.487  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -5.951  -0.232  -0.417  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -6.035  -1.734  -0.728  0.00  0.00    +0.009 C 
ATOM      7  C   LIG    1       -4.727  -2.364  -0.229  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -3.772  -1.214  -0.385  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -2.372  -1.190  -0.403  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -1.648   0.005  -0.523  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -0.259  -0.335  -0.506  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -0.170  -1.722  -0.382  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        1.052  -2.408  -0.348  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        2.223  -1.650  -0.432  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        2.165  -0.258  -0.527  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        0.934   0.412  -0.588  0.00  0.00    +0.023 A 
ATOM     17  N   LIG    1       -1.455  -2.209  -0.320  0.00  0.00    -0.354 N 
ATOM     18  H   LIG    1       -1.696  -3.185  -0.234  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1       -2.378   1.205  -0.622  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1       -1.920   2.627  -0.757  0.00  0.00    +0.141 C 
ATOM     21  N   LIG    1       -3.161   3.361  -0.784  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -3.250   4.364  -0.876  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  15  23
ATOM     23  C   LIG    1        3.403   0.548  -0.630  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        4.399   0.377   0.324  0.00  0.00    -0.293 N 
ATOM     25  C   LIG    1        4.222  -0.280   1.625  0.00  0.00    +0.136 C 
ATOM     26  C   LIG    1        5.081   0.392   2.702  0.00  0.00    +0.179 C 
ATOM     27  O   LIG    1        6.481   0.393   2.394  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        6.772   0.482   0.990  0.00  0.00    +0.179 C 
ATOM     29  C   LIG    1        5.652   1.116   0.163  0.00  0.00    +0.136 C 
ATOM     30  O   LIG    1        3.495   1.345  -1.560  0.00  0.00    -0.270 OA
ENDBRANCH  15  23
TORSDOF 1