REMARK  Name = BDB031643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.352   2.014  -1.321  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        0.897   2.069  -2.182  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -2.953  -2.698  -0.804  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.135  -1.436  -0.890  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.404  -0.278  -0.111  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.583   0.848  -0.261  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -2.072   1.821   0.587  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -1.640   2.735   0.702  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -3.148   1.353   1.288  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -0.501   0.887  -1.151  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -0.262  -0.250  -1.925  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.385   0.061   0.876  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -1.056  -1.387  -1.795  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.441  -0.761   1.380  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -5.293  -1.434   1.791  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        1.182   2.673  -0.013  0.00  0.00    +0.072 S 
ATOM     17  O   LIG    1        0.220   3.245   0.907  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        2.254   3.471  -0.567  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.927   1.254   0.758  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        3.024   0.646   0.141  0.00  0.00    +0.061 A 
ATOM     21  C   LIG    1        3.603  -0.474   0.750  0.00  0.00    +0.128 A 
ATOM     22  C   LIG    1        3.106  -0.969   1.964  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        2.019  -0.339   2.574  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        1.429   0.775   1.975  0.00  0.00    +0.029 A 
BRANCH  21  25
ATOM     25  N   LIG    1        4.736  -1.144   0.102  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        5.360  -1.988   0.760  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        4.992  -0.830  -1.069  0.00  0.00    -0.126 OA
ENDBRANCH  21  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5