REMARK  Name = BDB017277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.668  -0.047  -0.381  0.00  0.00    +0.088 A 
ATOM      2  C   LIG    1        4.780   0.752  -1.107  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        3.402   0.679  -0.854  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        2.919  -0.214   0.132  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.536  -0.286   0.383  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.631   0.512  -0.329  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.123   1.393  -1.300  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.831  -1.019   0.837  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        2.493   1.475  -1.562  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.201  -0.942   0.581  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.967   1.337   0.357  0.00  0.00    +0.200 C 
ATOM     12  S   LIG    1        7.409   0.046  -0.724  0.00  0.00    -0.006 S 
ATOM     13  O   LIG    1        7.559   0.504  -2.092  0.00  0.00    -0.170 OA
ATOM     14  O   LIG    1        8.007  -1.200  -0.285  0.00  0.00    -0.170 OA
ENDBRANCH   1  12
BRANCH   6  15
ATOM     15  C   LIG    1       -0.852   0.475  -0.099  0.00  0.00    +0.167 C 
ATOM     16  O   LIG    1       -1.544   1.321  -0.664  0.00  0.00    -0.292 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -1.457  -0.592   0.822  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -2.882  -0.217   1.278  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1       -4.018  -0.594   0.413  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -3.615  -1.365  -0.767  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.693  -2.505  -0.358  0.00  0.00    +0.016 C 
ATOM     22  C   LIG    1       -1.372  -1.996   0.208  0.00  0.00    +0.014 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.766   0.602  -0.008  0.00  0.00    +0.057 C 
ATOM     24  C   LIG    1       -5.534   1.201   1.204  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -6.732   1.383   0.248  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -6.162   0.195  -0.555  0.00  0.00    +0.019 C 
ENDBRANCH  19  23
ENDBRANCH  15  17
ENDBRANCH   6  15
TORSDOF 4