REMARK  Name = BDB058841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.209  -1.453   2.383  0.00  0.00    +0.074 S 
ATOM      2  O   LIG    1       -0.158  -2.899   2.459  0.00  0.00    -0.152 OA
ATOM      3  O   LIG    1       -0.292  -0.628   3.567  0.00  0.00    -0.152 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.523  -0.995   1.284  0.00  0.00    +0.107 A 
ATOM      5  C   LIG    1       -2.001   0.319   1.305  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -3.035   0.702   0.439  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.592  -0.253  -0.445  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -4.627   0.136  -1.311  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.106   1.446  -1.305  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.560   2.385  -0.435  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.104  -1.571  -0.438  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.531   2.015   0.433  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.075  -1.946   0.426  0.00  0.00    +0.029 A 
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  N   LIG    1        1.158  -0.959   1.477  0.00  0.00    -0.108 NA
ATOM     15  H   LIG    1        0.926  -0.728   0.505  0.00  0.00    +0.172 HD
BRANCH  14  18
ATOM     16  O   LIG    1        4.118  -2.753   0.487  0.00  0.00    -0.269 OA
ATOM     17  C   LIG    1        3.446  -1.762   0.762  0.00  0.00    +0.259 C 
ATOM     18  N   LIG    1        2.391  -1.845   1.650  0.00  0.00    -0.228 N 
ATOM     19  H   LIG    1        2.185  -2.792   1.979  0.00  0.00    +0.171 HD
BRANCH  17  20
ATOM     20  C   LIG    1        3.753  -0.453   0.129  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        4.276  -0.447  -1.170  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        4.583   0.762  -1.795  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.379   1.967  -1.122  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.878   1.965   0.180  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.571   0.757   0.809  0.00  0.00    +0.013 A 
ENDBRANCH  17  20
ENDBRANCH  14  18
ENDBRANCH   1  14
TORSDOF 4