REMARK  Name = BDB002846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.249  -1.028  -0.026  0.00  0.00    +0.172 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -1.674  -2.460  -0.255  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -1.224  -1.318  -0.239  0.00  0.00    +0.223 C 
ATOM      4  N   LIG    1       -2.013  -0.193  -0.381  0.00  0.00    -0.312 N 
ATOM      5  H   LIG    1       -1.580   0.719  -0.302  0.00  0.00    +0.149 HD
BRANCH   4   6
ATOM      6  C   LIG    1       -3.449  -0.284  -0.518  0.00  0.00    +0.073 C 
ATOM      7  C   LIG    1       -4.160  -0.481   0.820  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -5.575   0.052   0.604  0.00  0.00    +0.002 C 
ATOM      9  C   LIG    1       -5.546   0.837  -0.707  0.00  0.00    +0.002 C 
ATOM     10  C   LIG    1       -4.072   1.003  -1.045  0.00  0.00    +0.022 C 
ENDBRANCH   4   6
ENDBRANCH   1   3
BRANCH   1  11
ATOM     11  S   LIG    1        0.975  -0.377  -1.558  0.00  0.00    -0.089 S 
BRANCH  11  12
ATOM     12  C   LIG    1        2.626  -0.128  -1.034  0.00  0.00    +0.136 A 
ATOM     13  S   LIG    1        3.876   0.263  -2.135  0.00  0.00    -0.061 S 
ATOM     14  C   LIG    1        5.001   0.313  -0.833  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        4.328   0.029   0.358  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1        5.059   0.015   1.563  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1        6.432   0.283   1.547  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        7.081   0.563   0.349  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.379   0.583  -0.861  0.00  0.00    +0.017 A 
ATOM     20  N   LIG    1        2.970  -0.216   0.228  0.00  0.00    -0.233 NA
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 4