REMARK  Name = BDB028444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.021   1.271   0.434  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.826   0.154   0.390  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.080   0.248  -0.224  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.486   1.459  -0.778  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.806   1.548  -1.421  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.555   0.397  -1.423  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.470   0.440  -1.861  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.187  -0.802  -0.895  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        4.203   2.593  -1.923  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.650   2.582  -0.727  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.020  -0.896  -0.322  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.398   2.486  -0.118  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1       -2.377   0.377   0.683  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1       -3.369   0.627   1.615  0.00  0.00    -0.253 N 
ATOM     15  C   LIG    1       -4.720   0.118   1.616  0.00  0.00    +0.174 C 
ATOM     16  N   LIG    1       -2.999   1.483   2.591  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1       -1.758   1.827   2.249  0.00  0.00    +0.144 A 
ATOM     18  C   LIG    1       -1.314   1.178   1.075  0.00  0.00    +0.041 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -2.077  -0.091  -1.689  0.00  0.00    +0.130 C 
ATOM     20  N   LIG    1       -2.602  -0.468  -0.376  0.00  0.00    -0.321 N 
ATOM     21  C   LIG    1       -2.527  -1.905  -0.093  0.00  0.00    +0.130 C 
ENDBRANCH  13  20
ENDBRANCH   1  18
BRANCH  11  22
ATOM     22  C   LIG    1        2.592  -2.242   0.272  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.626  -3.263   0.066  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1        4.494  -2.909   0.476  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1        3.841  -3.287  -0.934  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 4