REMARK  Name = BDB016189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.946   2.280  -1.455  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.166   0.984  -0.670  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.880   0.329  -0.514  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.091   0.958  -0.364  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.719  -0.902   0.135  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.739  -1.619   0.801  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.484  -2.927   1.264  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.234  -3.524   1.123  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.212  -2.824   0.504  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.034  -1.155   1.115  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.680  -1.827   1.513  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.578   0.090   1.110  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.739   0.229   1.504  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.444  -1.533   0.003  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -3.768   1.273   0.686  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.673  -0.870  -0.706  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        1.737  -0.418  -0.015  0.00  0.00    +0.082 C 
BRANCH  16  18
ATOM     18  C   LIG    1        0.587  -0.677  -2.184  0.00  0.00    +0.111 C 
ATOM     19  N   LIG    1        1.485  -0.093  -2.914  0.00  0.00    -0.307 NA
ATOM     20  H   LIG    1        1.169  -0.100  -3.893  0.00  0.00    +0.186 HD
ENDBRANCH  16  18
BRANCH  17  21
ATOM     21  N   LIG    1        2.834   0.228  -0.527  0.00  0.00    -0.320 N 
ATOM     22  H   LIG    1        2.783   0.351  -1.547  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.967   0.744   0.116  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        4.955   1.360  -0.658  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1        6.084   1.874  -0.038  0.00  0.00    +0.112 A 
ATOM     26  N   LIG    1        6.299   1.818   1.291  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        5.339   1.220   2.025  0.00  0.00    +0.112 A 
ATOM     28  C   LIG    1        4.177   0.678   1.493  0.00  0.00    +0.043 A 
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH  14  16
TORSDOF 4