REMARK  Name = BDB051553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        7.768   1.521   0.992  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        6.784   1.002   0.473  0.00  0.00    +0.258 A 
ATOM      3  C   LIG    1        6.751   0.695  -0.999  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        5.612   0.101  -1.579  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        5.588  -0.183  -2.946  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        6.698   0.126  -3.735  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        7.829   0.715  -3.163  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.495  -0.196  -0.721  0.00  0.00    +0.115 A 
ATOM      9  N   LIG    1        3.293  -0.759  -1.039  0.00  0.00    -0.226 NA
ATOM     10  C   LIG    1        2.640  -0.813   0.107  0.00  0.00    +0.142 A 
ATOM     11  N   LIG    1        3.392  -0.282   1.164  0.00  0.00    -0.285 N 
ATOM     12  C   LIG    1        2.922  -0.206   2.474  0.00  0.00    +0.096 A 
ATOM     13  C   LIG    1        1.687  -0.658   2.755  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        0.873  -1.224   1.678  0.00  0.00    +0.110 A 
ATOM     15  C   LIG    1        1.337  -1.300   0.412  0.00  0.00    +0.075 A 
ATOM     16  C   LIG    1        4.586   0.107   0.614  0.00  0.00    +0.146 A 
ATOM     17  C   LIG    1        7.859   1.001  -1.796  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1        5.668   0.684   1.234  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1        5.699   0.890   2.223  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  14  20
ATOM     20  S   LIG    1       -0.754  -1.796   2.000  0.00  0.00    +0.059 S 
ATOM     21  O   LIG    1       -0.833  -2.193   3.391  0.00  0.00    -0.153 OA
ATOM     22  O   LIG    1       -1.182  -2.699   0.953  0.00  0.00    -0.153 OA
BRANCH  20  23
ATOM     23  N   LIG    1       -1.739  -0.429   1.892  0.00  0.00    -0.190 NA
ATOM     24  H   LIG    1       -1.704   0.150   2.731  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -1.844   0.265   0.605  0.00  0.00    +0.107 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.124   1.099   0.563  0.00  0.00    +0.032 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.385   0.222   0.540  0.00  0.00    +0.086 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.614   1.034   0.537  0.00  0.00    -0.298 NA
ATOM     29  C   LIG    1       -5.907   1.654  -0.776  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -6.416   0.669  -1.844  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1       -7.562  -0.056  -1.386  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -7.269  -0.750  -0.168  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1       -6.793   0.222   0.925  0.00  0.00    +0.112 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  14  20
TORSDOF 6