REMARK  Name = LIG000783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.631  -0.049   1.680  0.00  0.00    +0.220 C 
ATOM      2  O   LIG    1       -1.202   0.116   2.759  0.00  0.00    -0.284 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.385   0.096   0.420  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -2.698   0.683   0.284  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -3.060   0.622  -1.063  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.278   1.113  -1.550  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -5.161   1.686  -0.632  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.837   1.764   0.718  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1       -2.024   0.019  -1.731  0.00  0.00    -0.360 N 
ATOM     10  H   LIG    1       -2.007  -0.158  -2.726  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -3.614   1.269   1.187  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -1.027  -0.314  -0.855  0.00  0.00    +0.095 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     13  C   LIG    1        2.848  -0.765   0.767  0.00  0.00    +0.155 A 
ATOM     14  N   LIG    1        1.521  -0.427   0.488  0.00  0.00    -0.229 NA
ATOM     15  C   LIG    1        0.796  -0.382   1.590  0.00  0.00    +0.149 A 
ATOM     16  S   LIG    1        1.675  -0.728   3.033  0.00  0.00    -0.072 S 
ATOM     17  C   LIG    1        3.099  -0.960   2.113  0.00  0.00    +0.082 A 
BRANCH  13  18
ATOM     18  C   LIG    1        3.843  -0.890  -0.305  0.00  0.00    +0.358 C 
ATOM     19  O   LIG    1        3.583  -0.740  -1.494  0.00  0.00    -0.243 OA
BRANCH  18  21
ATOM     20  C   LIG    1        6.082  -1.323  -0.851  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1        5.090  -1.196   0.169  0.00  0.00    -0.463 OA
ENDBRANCH  18  21
ENDBRANCH  13  18
ENDBRANCH   1  15
TORSDOF 4