REMARK  Name = BDB005566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.159  -0.719   1.317  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.979  -0.754   0.499  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        2.087   0.071   0.747  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.040   0.908   1.870  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1        3.142   1.706   2.188  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        3.127   2.304   3.003  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        4.304   1.713   1.471  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1        4.356   0.845   0.264  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        5.629   0.878  -0.541  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        5.718  -0.271  -1.552  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1        4.385  -0.471  -2.261  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1        3.334  -0.671  -1.270  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1        2.416  -0.810  -1.684  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1        5.252   2.417   1.806  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        0.915   0.950   2.694  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        3.303   0.086  -0.102  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1       -0.187   0.138   2.414  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1       -1.148  -1.580   0.934  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.427  -1.505   1.567  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.299  -0.351   1.025  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.520  -0.328  -0.436  0.00  0.00    -0.300 NA
BRANCH  21  23
ATOM     22  C   LIG    1       -5.443  -1.993  -0.455  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -4.073  -1.577  -0.982  0.00  0.00    +0.081 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -4.301   0.843  -0.865  0.00  0.00    +0.081 C 
ATOM     25  C   LIG    1       -3.521   2.150  -0.748  0.00  0.00    +0.020 C 
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6