REMARK  Name = BDB028176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.313  -0.775  -0.034  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        0.695   0.094   0.408  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        1.889  -0.421   0.928  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.075  -1.800   0.983  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.345  -2.333   1.502  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.277  -1.404   1.893  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.160  -1.754   2.250  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.121  -0.053   1.871  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.549  -3.540   1.574  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.075  -2.673   0.540  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.996   0.432   1.429  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.119  -2.159   0.033  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -1.534  -1.079  -3.054  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1       -2.099  -0.370  -1.879  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -1.547  -0.245  -0.578  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -2.466   0.506   0.136  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1       -2.494   0.959   1.550  0.00  0.00    +0.066 C 
ATOM     18  N   LIG    1       -3.466   0.795  -0.760  0.00  0.00    -0.271 N 
ATOM     19  C   LIG    1       -4.662   1.571  -0.519  0.00  0.00    +0.172 C 
ATOM     20  N   LIG    1       -3.274   0.261  -1.978  0.00  0.00    -0.176 NA
ENDBRANCH   1  15
BRANCH  11  21
ATOM     21  C   LIG    1        2.844   1.951   1.435  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.072   2.461   0.082  0.00  0.00    -0.325 NA
ATOM     23  H   LIG    1        4.013   2.187  -0.209  0.00  0.00    +0.119 HD
ATOM     24  H   LIG    1        3.084   3.481   0.111  0.00  0.00    +0.119 HD
ENDBRANCH  21  22
ENDBRANCH  11  21
TORSDOF 3