REMARK  Name = LIG000322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.210  -0.678  -0.319  0.00  0.00    -0.264 N 
ATOM      2  H   LIG    1        0.414  -0.675   0.484  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1        0.263  -1.191  -1.507  0.00  0.00    +0.224 C 
ATOM      4  O   LIG    1       -0.308  -1.183  -2.595  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -4.930   1.480  -0.560  0.00  0.00    +0.053 C 
ATOM      6  C   LIG    1       -3.590   0.976  -0.170  0.00  0.00    +0.008 A 
ATOM      7  S   LIG    1       -2.601   0.135  -1.288  0.00  0.00    -0.057 S 
ATOM      8  C   LIG    1       -1.396  -0.033  -0.096  0.00  0.00    +0.165 A 
ATOM      9  N   LIG    1       -1.677   0.485   1.078  0.00  0.00    -0.233 NA
ATOM     10  C   LIG    1       -2.930   1.065   1.038  0.00  0.00    +0.124 A 
ENDBRANCH   1   8
BRANCH   3  11
ATOM     11  C   LIG    1        1.613  -1.878  -1.364  0.00  0.00    +0.152 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.623  -1.010  -0.689  0.00  0.00    +0.059 A 
ATOM     13  N   LIG    1        2.449  -0.727   0.662  0.00  0.00    -0.230 NA
ATOM     14  C   LIG    1        3.421   0.037   1.095  0.00  0.00    +0.156 A 
ATOM     15  S   LIG    1        4.590   0.478  -0.082  0.00  0.00    -0.061 S 
ATOM     16  C   LIG    1        3.740  -0.432  -1.258  0.00  0.00    +0.072 A 
BRANCH  14  17
ATOM     17  N   LIG    1        3.500   0.474   2.361  0.00  0.00    -0.338 N 
ATOM     18  H   LIG    1        2.637   0.429   2.892  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        4.030   1.322   2.526  0.00  0.00    +0.144 HD
ENDBRANCH  14  17
ENDBRANCH  11  12
ENDBRANCH   3  11
TORSDOF 4