REMARK  Name = LIG001056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.027   0.467  -0.179  0.00  0.00    -0.211 N 
ATOM      2  S   LIG    1        1.132   1.676  -0.564  0.00  0.00    +0.082 S 
ATOM      3  O   LIG    1        1.055   2.014  -2.179  0.00  0.00    -0.137 OA
ATOM      4  C   LIG    1        2.466   0.548  -0.285  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        2.043  -0.636   0.287  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        2.929  -1.644   0.637  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.286  -1.434   0.388  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.724  -0.238  -0.203  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.810   0.765  -0.544  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        0.585  -0.661   0.398  0.00  0.00    +0.259 C 
ATOM     11  O   LIG    1       -0.013  -1.595   0.908  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.384   0.070   0.666  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.196   0.201   0.384  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.308   0.721   1.293  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.688   0.951   2.201  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -1.973   1.000   1.107  0.00  0.00    +0.241 C 
ATOM     17  O   LIG    1       -1.322   1.558   1.990  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.409   0.683  -0.279  0.00  0.00    +0.177 C 
ATOM     19  C   LIG    1       -2.173  -0.468  -0.932  0.00  0.00    +0.042 C 
ATOM     20  C   LIG    1       -3.653  -0.118  -0.990  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1