REMARK  Name = BDB025280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.129  -1.021  -0.077  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -0.518  -0.000   0.724  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.875   0.098   0.915  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        1.416   1.086   1.761  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.589   2.003   2.399  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.783   1.932   2.206  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.846  -0.806   0.234  0.00  0.00    +0.075 C 
ATOM      8  N   LIG    1        1.741  -2.094   0.218  0.00  0.00    -0.273 NA
ATOM      9  C   LIG    1        0.532  -2.674   0.797  0.00  0.00    +0.238 C 
ATOM     10  C   LIG    1       -1.327   0.940   1.384  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -0.633  -2.335  -0.125  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1       -1.125  -3.195  -0.861  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1       -5.407   1.743  -0.223  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -4.524   0.961  -0.566  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -3.511   1.369  -1.393  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -3.548   2.345  -1.654  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -2.274   0.784  -1.528  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1       -1.320   1.449  -1.931  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -2.151  -0.686  -1.094  0.00  0.00    +0.168 C 
ATOM     20  C   LIG    1       -3.529  -1.321  -0.848  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -4.442  -0.442  -0.017  0.00  0.00    +0.098 C 
ENDBRANCH   1  19
BRANCH   7  22
ATOM     22  C   LIG    1        3.022  -0.197  -0.464  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.249  -0.869  -0.447  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        5.356  -0.320  -1.095  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.237   0.895  -1.771  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.010   1.558  -1.808  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        2.900   1.012  -1.160  0.00  0.00    +0.010 A 
ENDBRANCH   7  22
TORSDOF 2