REMARK  Name = LIG001282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.194  -0.126  -0.356  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.974   0.015  -0.365  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.388   1.050  -1.047  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -4.017   1.646  -1.567  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -2.047   1.272  -1.258  0.00  0.00    +0.232 C 
ATOM      6  O   LIG    1       -1.679   2.146  -2.042  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -1.073   0.405  -0.466  0.00  0.00    +0.133 C 
ATOM      8  C   LIG    1       -1.680  -0.982  -0.265  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -3.053  -0.913   0.389  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1       -0.685   1.285   1.103  0.00  0.00    -0.143 S 
BRANCH  10  11
ATOM     11  C   LIG    1        0.673   0.259   1.753  0.00  0.00    +0.105 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.841   0.103   0.814  0.00  0.00    -0.038 A 
ATOM     13  C   LIG    1        2.596   1.216   0.413  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        3.677   1.066  -0.457  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        4.021  -0.198  -0.930  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.287  -1.313  -0.532  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        2.204  -1.165   0.337  0.00  0.00    +0.004 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 3