REMARK  Name = BDB058868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.442   1.577  -1.055  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.566   1.076  -0.354  0.00  0.00    +0.260 C 
ATOM      3  N   LIG    1        0.763   0.813   0.993  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.261   0.029   1.411  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.742   0.688  -0.928  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -1.887   0.460  -0.155  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.093   0.091  -0.772  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.076  -0.020  -2.164  0.00  0.00    +0.119 A 
ATOM      9  N   LIG    1       -1.990   0.205  -2.942  0.00  0.00    -0.262 NA
ATOM     10  C   LIG    1       -0.849   0.560  -2.306  0.00  0.00    +0.123 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.311  -0.162   0.009  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -5.012  -1.373  -0.118  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -6.169  -1.617   0.626  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.646  -0.652   1.510  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.967   0.555   1.650  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.809   0.798   0.906  0.00  0.00    +0.008 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.232   0.918   1.455  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.756   1.567   0.850  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.038  -0.598   1.568  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        2.189  -1.589   0.937  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.482  -0.753   2.936  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.455  -0.329   0.538  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        4.316  -0.409  -0.851  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.431  -0.202  -1.663  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.673   0.073  -1.089  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.808   0.140   0.299  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.698  -0.064   1.119  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5