REMARK  Name = LIG000820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.848  -0.332   0.843  0.00  0.00    +0.231 C 
ATOM      2  N   LIG    1       -0.137   0.134  -0.011  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        0.062   0.003  -0.996  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.650  -0.538   2.037  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.532   0.058   0.391  0.00  0.00    +0.168 C 
ATOM      6  C   LIG    1       -2.225  -1.127  -0.264  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -1.717  -2.194  -0.566  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.510  -0.764  -0.510  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.175  -1.372  -0.963  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -3.656   0.585  -0.522  0.00  0.00    +0.221 C 
ATOM     11  O   LIG    1       -4.649   1.178  -0.909  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -2.373   1.234  -0.084  0.00  0.00    +0.128 C 
ENDBRANCH   2   5
BRANCH   1  13
ATOM     13  C   LIG    1        2.241  -0.490   0.203  0.00  0.00    +0.147 C 
BRANCH  13  14
ATOM     14  N   LIG    1        2.128  -1.037  -1.166  0.00  0.00    -0.319 NA
ATOM     15  H   LIG    1        1.439  -1.788  -1.203  0.00  0.00    +0.119 HD
ATOM     16  H   LIG    1        1.914  -0.320  -1.852  0.00  0.00    +0.119 HD
ENDBRANCH  13  14
BRANCH  13  17
ATOM     17  C   LIG    1        2.947   0.875   0.272  0.00  0.00    +0.093 C 
BRANCH  17  18
ATOM     18  S   LIG    1        4.604   0.885  -0.489  0.00  0.00    -0.176 S 
ATOM     19  H   LIG    1        5.053  -0.231   0.105  0.00  0.00    +0.102 HD
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   1  13
TORSDOF 5