REMARK  Name = BDB002149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.981   1.598  -0.308  0.00  0.00    -0.171 NA
ATOM      2  C   LIG    1       -1.467   2.647   0.609  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1       -1.013   0.010   0.303  0.00  0.00    +0.065 S 
ATOM      4  O   LIG    1       -0.549   0.073   1.675  0.00  0.00    -0.153 OA
ATOM      5  O   LIG    1       -0.340  -0.861  -0.642  0.00  0.00    -0.153 OA
BRANCH   3   7
ATOM      6  C   LIG    1       -3.475  -0.448  -0.871  0.00  0.00    +0.146 A 
ATOM      7  C   LIG    1       -2.740  -0.400   0.321  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -3.344  -0.690   1.556  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -4.697  -1.033   1.616  0.00  0.00    -0.048 A 
ATOM     10  C   LIG    1       -5.354  -1.311   2.936  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.439  -1.059   0.432  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -4.833  -0.773  -0.798  0.00  0.00    +0.048 A 
BRANCH   6  14
ATOM     13  C   LIG    1       -3.502  -0.388  -3.258  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -2.822  -0.146  -2.033  0.00  0.00    -0.493 OA
ENDBRANCH   6  14
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1        0.272   1.972  -1.009  0.00  0.00    +0.204 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.531   1.834  -0.168  0.00  0.00    +0.229 C 
ATOM     17  N   LIG    1        2.146   0.601  -0.263  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        1.596  -0.159  -0.666  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        1.944   2.751   0.539  0.00  0.00    -0.274 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.281   0.245   0.581  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1        4.552   0.970   0.096  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1        5.816   0.169   0.381  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        5.796  -1.188  -0.323  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        4.393  -1.786  -0.455  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        3.459  -1.283   0.639  0.00  0.00    +0.022 C 
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6