REMARK  Name = BDB046781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.733   2.902  -0.398  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.426   1.482  -0.021  0.00  0.00    -0.036 A 
ATOM      3  C   LIG    1       -1.101   0.897  -0.307  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -0.837  -0.441   0.055  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.427  -0.992  -0.225  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        1.423  -0.232  -0.837  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        1.160   1.083  -1.204  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -1.856  -1.212   0.698  0.00  0.00    -0.311 N 
ATOM      9  C   LIG    1       -1.593  -2.591   1.085  0.00  0.00    +0.152 C 
ATOM     10  C   LIG    1       -3.107  -0.685   0.978  0.00  0.00    +0.252 A 
ATOM     11  O   LIG    1       -4.021  -1.296   1.528  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1       -0.091   1.643  -0.939  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -3.349   0.719   0.581  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   6  14
ATOM     14  N   LIG    1        2.711  -0.772  -1.116  0.00  0.00    -0.221 N 
ATOM     15  H   LIG    1        3.268  -0.321  -1.841  0.00  0.00    +0.173 HD
BRANCH  14  16
ATOM     16  S   LIG    1        3.662  -1.394   0.127  0.00  0.00    +0.040 S 
ATOM     17  O   LIG    1        4.946  -1.682  -0.476  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1        2.927  -2.409   0.849  0.00  0.00    -0.155 OA
ATOM     19  C   LIG    1        3.876   0.021   1.190  0.00  0.00    +0.218 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 2