REMARK  Name = BDB029490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.964   2.732  -0.938  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.267   1.898  -0.369  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.766   2.134   0.885  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.126   2.986   1.297  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.493   1.153   1.805  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.659   1.363   3.002  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.975  -0.159   1.239  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.479  -0.019   0.919  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        0.064  -1.364   1.073  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        1.358  -1.783   0.827  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        1.793  -2.881   1.159  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -0.855  -2.224   1.797  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.959  -1.293   2.281  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.829  -0.540   0.019  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -2.894   0.583  -1.007  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        2.276  -0.849   0.146  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        2.025  -0.460  -1.175  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        2.917   0.426  -1.809  0.00  0.00    +0.079 A 
ATOM     19  C   LIG    1        4.043   0.871  -1.109  0.00  0.00    +0.039 A 
ATOM     20  S   LIG    1        4.948   1.931  -2.124  0.00  0.00    -0.075 S 
ATOM     21  C   LIG    1        3.795   1.711  -3.369  0.00  0.00    +0.157 A 
ATOM     22  C   LIG    1        4.314   0.460   0.207  0.00  0.00    +0.018 A 
ATOM     23  N   LIG    1        2.784   0.918  -3.097  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1        3.414  -0.413   0.824  0.00  0.00    +0.014 A 
ENDBRANCH  10  16
TORSDOF 1