REMARK  Name = BDB023137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.588   3.500   1.655  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.181   2.383   1.375  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.004   1.254   1.248  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.579   0.429   0.832  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.209   2.060   1.139  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.554   0.774   0.803  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.906   0.750   0.637  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        3.443   2.010   0.863  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        4.830   2.175   0.743  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        5.611   1.059   0.395  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        5.044  -0.205   0.157  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        3.656  -0.372   0.291  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        2.345   2.848   1.184  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  N   LIG    1        5.864  -1.305  -0.181  0.00  0.00    -0.330 N 
ATOM     15  C   LIG    1        5.476  -2.486  -0.901  0.00  0.00    +0.106 C 
ATOM     16  C   LIG    1        6.972  -2.759  -1.089  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        7.154  -1.264  -0.812  0.00  0.00    +0.106 C 
ENDBRANCH  11  14
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  S   LIG    1       -2.655   1.385   1.085  0.00  0.00    +0.075 S 
ATOM     19  O   LIG    1       -3.211   1.992   2.272  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -2.856   1.906  -0.248  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.178  -0.326   1.116  0.00  0.00    +0.116 A 
ATOM     22  C   LIG    1       -4.266  -0.781   0.346  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -4.560  -2.160   0.388  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -3.822  -3.045   1.179  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.778  -2.570   1.963  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.457  -1.214   1.938  0.00  0.00    +0.029 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -5.151   0.087  -0.443  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -5.171   0.012  -1.845  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -6.029   0.823  -2.592  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.882   1.716  -1.948  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.880   1.799  -0.558  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -6.023   0.988   0.190  0.00  0.00    +0.008 A 
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   3  18
TORSDOF 5