REMARK  Name = BDB058898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.089   2.057   2.476  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.434   1.651   1.519  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.036   1.119   0.393  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.516   0.579  -0.296  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.051   1.732   1.522  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.858   0.820   0.825  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.261   0.932   0.850  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -3.831   1.975   1.599  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.033   2.873   2.311  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.647   2.749   2.276  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.110  -0.018   0.115  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.987  -1.399   0.275  0.00  0.00    +0.119 A 
ATOM     13  N   LIG    1       -4.734  -2.324  -0.376  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1       -5.663  -1.856  -1.235  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -5.877  -0.510  -1.472  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.090   0.416  -0.788  0.00  0.00    +0.011 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.502   0.689   0.565  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.861   1.037   1.469  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.713  -1.012   0.525  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        1.598  -1.559  -0.224  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.007  -1.437   1.876  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.179  -1.155  -0.456  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        4.076  -1.146  -1.851  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.229  -1.281  -2.624  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.472  -1.433  -2.006  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.567  -1.454  -0.614  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.419  -1.319   0.168  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5