REMARK  Name = BDB025430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.338   0.943   1.199  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1       -2.075   1.097   0.392  0.00  0.00    +0.165 C 
ATOM      3  C   LIG    1       -1.521  -0.262   0.142  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -2.154  -1.466   0.358  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.225  -2.436  -0.032  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -0.095  -1.898  -0.472  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1       -3.532  -1.534   0.897  0.00  0.00    +0.057 C 
ATOM      8  N   LIG    1       -0.281  -0.550  -0.394  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1        0.708   0.352  -0.835  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        0.471   1.556  -0.783  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -4.224  -0.170   0.701  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.001  -0.271  -1.340  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.148  -0.150  -0.347  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        4.441   0.159  -0.809  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        5.484   0.293   0.117  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        5.264   0.109   1.482  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.995  -0.232   1.936  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1        4.748   0.266  -2.169  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1        5.309   1.090  -2.371  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1        3.709  -0.025  -3.142  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1        2.946  -0.371   1.028  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        2.355   0.448  -2.654  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  24
ATOM     23  C   LIG    1       -5.033   2.115   2.948  0.00  0.00    +0.215 C 
ATOM     24  S   LIG    1       -4.124   2.433   1.450  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1       -5.062   2.625   0.365  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1       -3.118   3.425   1.760  0.00  0.00    -0.158 OA
ENDBRANCH   1  24
BRANCH   5  27
ATOM     27  N   LIG    1       -1.434  -3.754   0.030  0.00  0.00    -0.341 N 
ATOM     28  H   LIG    1       -0.611  -4.340  -0.073  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1       -2.107  -4.134   0.684  0.00  0.00    +0.144 HD
ENDBRANCH   5  27
TORSDOF 3