REMARK  Name = BDB027963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.164   0.458  -0.235  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -0.492  -0.070  -1.339  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.888  -0.315  -1.303  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        1.647  -0.009  -0.168  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1        0.988   0.558   0.927  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.391   0.796   0.885  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.142  -0.280  -0.157  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1        3.527  -1.327   0.903  0.00  0.00    +0.023 C 
ATOM      9  C   LIG    1        5.025  -1.273   1.180  0.00  0.00    +0.081 C 
ATOM     10  N   LIG    1        5.459   0.013   1.730  0.00  0.00    -0.316 NA
ATOM     11  H   LIG    1        6.426   0.184   1.458  0.00  0.00    +0.122 HD
ATOM     12  C   LIG    1        4.618   1.147   1.352  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1        3.983   1.006  -0.029  0.00  0.00    +0.023 C 
ENDBRANCH   4   7
BRANCH   1  14
ATOM     14  N   LIG    1       -2.523   0.788  -0.218  0.00  0.00    -0.333 N 
ATOM     15  H   LIG    1       -2.885   0.744   0.731  0.00  0.00    +0.147 HD
BRANCH  14  22
ATOM     16  O   LIG    1       -6.651  -1.291   0.851  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.665  -0.787   0.322  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -4.616  -1.563  -0.095  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -4.784  -2.558  -0.018  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -3.718  -1.218  -1.077  0.00  0.00    +0.239 C 
ATOM     21  O   LIG    1       -3.191  -2.082  -1.774  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1       -3.446   0.282  -1.246  0.00  0.00    +0.158 C 
ATOM     23  C   LIG    1       -4.777   1.033  -1.159  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -5.533   0.703   0.120  0.00  0.00    +0.098 C 
ENDBRANCH  14  22
ENDBRANCH   1  14
TORSDOF 3