REMARK  Name = BDB002552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.569   0.407  -1.274  0.00  0.00    -0.194 N 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.138   2.238   0.096  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -2.989   2.273   0.891  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.798   1.686   0.456  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.748   1.066  -0.790  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -2.890   1.033  -1.592  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -4.082   1.619  -1.151  0.00  0.00    +0.047 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -5.227   2.849   0.651  0.00  0.00    -0.492 OA
BRANCH   8  10
ATOM      9  C   LIG    1       -6.691   3.871  -0.989  0.00  0.00    +0.048 C 
ATOM     10  C   LIG    1       -6.491   2.735  -0.001  0.00  0.00    +0.225 C 
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  11
ATOM     11  S   LIG    1       -0.266  -1.130  -0.616  0.00  0.00    +0.080 S 
ATOM     12  O   LIG    1        0.881  -1.668  -1.325  0.00  0.00    -0.150 OA
ATOM     13  O   LIG    1       -0.274  -1.062   0.827  0.00  0.00    -0.150 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -1.552  -2.164  -1.043  0.00  0.00    +0.173 A 
ATOM     15  C   LIG    1       -1.764  -2.745  -2.270  0.00  0.00    +0.161 A 
ATOM     16  C   LIG    1       -1.044  -2.747  -3.556  0.00  0.00    +0.091 C 
ATOM     17  O   LIG    1       -2.913  -3.469  -2.218  0.00  0.00    -0.358 OA
ATOM     18  N   LIG    1       -3.473  -3.359  -0.959  0.00  0.00    -0.081 NA
ATOM     19  C   LIG    1       -2.649  -2.572  -0.252  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1       -2.975  -2.249   1.157  0.00  0.00    +0.071 C 
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   1  21
ATOM     21  C   LIG    1        0.625   1.258  -1.505  0.00  0.00    +0.227 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.612   1.381  -0.352  0.00  0.00    +0.236 C 
ATOM     23  N   LIG    1        2.572   0.382  -0.342  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        2.426  -0.403  -0.977  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        1.516   2.304   0.453  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1        3.647   0.233   0.558  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.407  -0.940   0.453  0.00  0.00    +0.072 A 
ATOM     28  C   LIG    1        5.496  -1.157   1.298  0.00  0.00    +0.164 A 
ATOM     29  O   LIG    1        6.196  -2.322   1.113  0.00  0.00    -0.485 OA
ATOM     30  C   LIG    1        7.458  -2.286   1.790  0.00  0.00    +0.270 C 
ATOM     31  C   LIG    1        7.299  -1.738   3.198  0.00  0.00    +0.270 C 
ATOM     32  O   LIG    1        6.854  -0.377   3.162  0.00  0.00    -0.485 OA
ATOM     33  C   LIG    1        5.821  -0.215   2.276  0.00  0.00    +0.162 A 
ATOM     34  C   LIG    1        5.084   0.960   2.377  0.00  0.00    +0.051 A 
ATOM     35  C   LIG    1        3.999   1.183   1.520  0.00  0.00    +0.027 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 8