REMARK  Name = BDB058482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.405   0.119   1.205  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1        0.056   0.954   1.552  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.524   2.161  -0.424  0.00  0.00    +0.154 C 
ATOM      4  N   LIG    1       -5.607   1.068  -0.558  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1       -4.307   1.031  -0.038  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -3.743  -0.198  -0.376  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1       -2.459  -0.542   0.000  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -1.706   0.397   0.722  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -2.309   1.632   1.083  0.00  0.00    +0.025 A 
ATOM     10  N   LIG    1       -4.697  -0.924  -1.101  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -4.504  -2.241  -1.633  0.00  0.00    +0.154 C 
ATOM     12  C   LIG    1       -3.614   1.966   0.696  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.869  -0.148  -1.228  0.00  0.00    +0.330 A 
ATOM     14  O   LIG    1       -6.902  -0.462  -1.799  0.00  0.00    -0.246 OA
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1        0.564  -0.775   0.684  0.00  0.00    +0.127 A 
ATOM     16  N   LIG    1        0.395  -1.370  -0.508  0.00  0.00    -0.221 NA
ATOM     17  C   LIG    1        1.363  -2.199  -0.919  0.00  0.00    +0.224 A 
ATOM     18  N   LIG    1        2.486  -2.490  -0.257  0.00  0.00    -0.229 NA
ATOM     19  C   LIG    1        2.621  -1.889   0.936  0.00  0.00    +0.102 A 
ATOM     20  C   LIG    1        1.681  -1.029   1.458  0.00  0.00    +0.078 A 
BRANCH  19  21
ATOM     21  S   LIG    1        4.083  -2.265   1.882  0.00  0.00    -0.101 S 
BRANCH  21  22
ATOM     22  C   LIG    1        5.351  -1.860   0.638  0.00  0.00    +0.111 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.455  -0.376   0.380  0.00  0.00    -0.037 A 
ATOM     24  C   LIG    1        4.878   0.190  -0.766  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.958   1.564  -0.997  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.616   2.387  -0.085  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.192   1.838   1.059  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.112   0.464   1.292  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  15
TORSDOF 5