REMARK  Name = BDB002782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.637  -1.419   0.550  0.00  0.00    +0.133 C 
ATOM      2  C   LIG    1       -2.305  -1.369   1.282  0.00  0.00    +0.235 C 
ATOM      3  O   LIG    1       -1.900  -2.379   1.867  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -1.546  -0.193   1.221  0.00  0.00    -0.231 N 
ATOM      5  C   LIG    1       -1.886   1.049   0.664  0.00  0.00    +0.235 C 
ATOM      6  O   LIG    1       -1.065   1.975   0.636  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -3.260   1.228   0.014  0.00  0.00    +0.133 C 
ATOM      8  S   LIG    1       -4.521   0.154   0.748  0.00  0.00    -0.135 S 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -4.698  -2.040  -1.703  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1       -3.416  -1.880  -0.898  0.00  0.00    +0.020 C 
ENDBRANCH   1  10
BRANCH   7  11
ATOM     11  C   LIG    1       -3.715   2.700   0.011  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1       -3.953   3.318   1.386  0.00  0.00    +0.005 C 
ENDBRANCH   7  11
BRANCH   4  13
ATOM     13  C   LIG    1       -0.184  -0.296   1.736  0.00  0.00    +0.212 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.745  -0.698   0.585  0.00  0.00    +0.231 C 
ATOM     15  N   LIG    1        2.089  -0.639   0.911  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1        2.352  -0.118   1.739  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        0.335  -1.060  -0.516  0.00  0.00    -0.274 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.125  -0.882  -0.088  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1        3.352   0.364  -0.965  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1        4.487   1.233  -0.435  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        5.816   0.474  -0.403  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1        5.652  -1.035  -0.210  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        4.409  -1.365   0.606  0.00  0.00    +0.022 C 
ENDBRANCH  15  18
ENDBRANCH  13  14
ENDBRANCH   4  13
TORSDOF 5