REMARK  Name = BDB054487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.511  -3.415   0.539  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        0.052  -3.133   0.358  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -0.561  -1.865   0.267  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -1.947  -1.746   0.091  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -2.276  -0.358   0.012  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -1.084   0.362   0.144  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -1.045   1.771   0.095  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -2.260   2.405  -0.083  0.00  0.00    +0.168 A 
ATOM      9  O   LIG    1       -2.436   3.753  -0.156  0.00  0.00    -0.453 OA
ATOM     10  C   LIG    1       -3.864   3.831  -0.341  0.00  0.00    +0.466 C 
ATOM     11  O   LIG    1       -4.509   2.542  -0.376  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1       -3.439   1.717  -0.208  0.00  0.00    +0.167 A 
ATOM     13  C   LIG    1       -3.497   0.337  -0.168  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -2.733  -2.905   0.018  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -2.076  -4.112   0.125  0.00  0.00    +0.112 A 
ATOM     16  N   LIG    1       -0.068  -0.568   0.314  0.00  0.00    -0.338 N 
ATOM     17  N   LIG    1       -0.747  -4.237   0.288  0.00  0.00    -0.258 NA
ENDROOT
BRANCH  16  18
ATOM     18  C   LIG    1        1.321  -0.175   0.527  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.067   0.033  -0.790  0.00  0.00    +0.023 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.568   0.285  -0.605  0.00  0.00    +0.017 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.929   1.445   0.325  0.00  0.00    +0.078 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.268   2.681  -0.071  0.00  0.00    -0.330 NA
ATOM     23  H   LIG    1        3.587   3.444   0.526  0.00  0.00    +0.118 HD
ATOM     24  H   LIG    1        3.547   2.932  -1.020  0.00  0.00    +0.118 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
TORSDOF 5