REMARK  Name = BDB058745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.325   0.347   1.057  0.00  0.00    +0.197 A 
ATOM      2  N   LIG    1        1.184  -0.255   0.546  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.154   0.578   0.979  0.00  0.00    +0.186 A 
ATOM      4  N   LIG    1        0.646   1.530   1.749  0.00  0.00    -0.126 NA
ATOM      5  N   LIG    1        2.004   1.396   1.782  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.234   0.556   0.632  0.00  0.00    +0.085 A 
ATOM      7  N   LIG    1       -2.166   1.153   1.449  0.00  0.00    -0.352 N 
ATOM      8  H   LIG    1       -1.938   1.630   2.311  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -3.432   1.012   0.932  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.302   0.340  -0.282  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.460   0.075  -1.038  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -5.705   0.487  -0.548  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.804   1.156   0.671  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.668   1.434   1.436  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -1.916   0.079  -0.470  0.00  0.00    +0.039 A 
ENDBRANCH   3   6
BRANCH   2  16
ATOM     16  C   LIG    1        1.075  -1.465  -0.192  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1        0.073  -2.391   0.133  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -0.037  -3.582  -0.587  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        0.847  -3.854  -1.629  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        1.845  -2.937  -1.954  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        1.963  -1.743  -1.238  0.00  0.00    +0.026 A 
ENDBRANCH   2  16
BRANCH   1  22
ATOM     22  S   LIG    1        3.936  -0.296   0.964  0.00  0.00    -0.082 S 
BRANCH  22  23
ATOM     23  C   LIG    1        4.912   1.233   0.981  0.00  0.00    +0.104 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.269   3.022  -0.659  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        4.889   1.868  -0.378  0.00  0.00    -0.023 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5