REMARK  Name = BDB000184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.994   2.895   0.314  0.00  0.00    +0.054 C 
ATOM      2  C   LIG    1       -1.099   1.710   0.219  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.378   0.352   0.238  0.00  0.00    +0.083 A 
ATOM      4  N   LIG    1       -0.266  -0.477   0.190  0.00  0.00    -0.224 NA
ATOM      5  C   LIG    1        0.823   0.245   0.088  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1        0.599   1.928   0.067  0.00  0.00    -0.057 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.712  -0.224   0.340  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.952  -1.239   1.275  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -4.220  -1.812   1.389  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.256  -1.381   0.561  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.023  -0.383  -0.384  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.755   0.191  -0.499  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1        2.050  -0.355   0.000  0.00  0.00    -0.263 N 
ATOM     14  H   LIG    1        1.999  -1.364   0.034  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        3.282   0.261  -0.097  0.00  0.00    +0.235 C 
ATOM     16  O   LIG    1        3.504   1.466  -0.124  0.00  0.00    -0.274 OA
BRANCH  15  17
ATOM     17  C   LIG    1        4.416  -0.785  -0.215  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1        5.788  -0.157   0.000  0.00  0.00    +0.033 C 
BRANCH  17  19
ATOM     19  N   LIG    1        4.369  -1.417  -1.548  0.00  0.00    -0.320 NA
ATOM     20  H   LIG    1        3.418  -1.701  -1.778  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1        4.622  -0.718  -2.250  0.00  0.00    +0.119 HD
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   5  13
TORSDOF 4