REMARK  Name = BDB059384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.425   0.412   1.098  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.904   1.642   0.674  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.576   2.009  -0.220  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.084  -0.324   1.830  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.463  -1.813   0.121  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1       -3.396  -0.890  -0.360  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -3.094   0.482  -0.359  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1       -1.848   0.922   0.121  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -0.909  -0.003   0.587  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -1.227  -1.365   0.595  0.00  0.00    +0.058 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -4.029   1.444  -0.837  0.00  0.00    -0.240 N 
ATOM     12  N   LIG    1       -3.715   2.766  -0.846  0.00  0.00    -0.175 NA
ATOM     13  C   LIG    1       -4.792   3.370  -1.349  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1       -5.810   2.464  -1.673  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -5.298   1.234  -1.336  0.00  0.00    +0.114 A 
ENDBRANCH   7  11
BRANCH   5  17
ATOM     16  C   LIG    1       -3.869  -3.696  -0.279  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -2.632  -3.169   0.181  0.00  0.00    -0.495 OA
ENDBRANCH   5  17
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1        2.409   1.864   0.926  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.721   1.308   1.736  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.402   1.555  -0.444  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        2.578   0.921  -1.454  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        4.137   2.768  -0.732  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.533   0.349   0.196  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.831   0.730   0.549  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        6.715  -0.229   1.044  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.303  -1.556   1.180  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.008  -1.932   0.817  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.119  -0.980   0.319  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 6