REMARK  Name = BDB002826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.249  -0.636  -0.266  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1       -2.611  -1.641   0.332  0.00  0.00    -0.215 NA
ATOM      3  C   LIG    1       -1.290  -1.442   0.448  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1       -0.569  -0.337   0.014  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.835  -0.513   0.316  0.00  0.00    -0.020 A 
ATOM      6  C   LIG    1        1.980   0.421   0.042  0.00  0.00    +0.071 C 
ATOM      7  C   LIG    1        3.352  -0.284   0.233  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1        4.434   0.783   0.450  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1        3.742  -1.124  -0.995  0.00  0.00    +0.041 C 
ATOM     10  O   LIG    1        3.345  -1.084   1.433  0.00  0.00    -0.368 OA
ATOM     11  C   LIG    1        2.414  -2.180   1.446  0.00  0.00    +0.203 C 
ATOM     12  C   LIG    1        1.079  -1.700   0.983  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -1.356   0.658  -0.586  0.00  0.00    +0.110 A 
ATOM     14  S   LIG    1       -0.326  -2.626   1.202  0.00  0.00    -0.071 S 
ATOM     15  N   LIG    1       -2.686   0.491  -0.721  0.00  0.00    -0.215 NA
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -5.353  -2.304   0.371  0.00  0.00    +0.093 C 
ATOM     17  S   LIG    1       -5.009  -0.756  -0.501  0.00  0.00    -0.089 S 
ENDBRANCH   1  17
BRANCH  13  18
ATOM     18  S   LIG    1       -0.643   2.160  -1.191  0.00  0.00    -0.094 S 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.043   3.302  -0.950  0.00  0.00    +0.196 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.515   3.410   0.480  0.00  0.00    +0.315 C 
ATOM     21  O   LIG    1       -3.645   3.725   0.825  0.00  0.00    -0.250 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -1.566   3.232   1.421  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1       -2.046   3.373   2.265  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 5