REMARK  Name = LIG001116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.201   0.888  -0.869  0.00  0.00    +0.067 A 
ATOM      2  S   LIG    1       -1.391   0.630  -1.438  0.00  0.00    -0.046 S 
ATOM      3  C   LIG    1       -1.861   0.120   0.116  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1       -0.927   0.138   1.037  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        0.260   0.576   0.474  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   3   6
ATOM      6  N   LIG    1       -3.135  -0.281   0.427  0.00  0.00    -0.264 N 
ATOM      7  H   LIG    1       -3.234  -0.538   1.399  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -4.212  -0.392  -0.428  0.00  0.00    +0.222 C 
ATOM      9  O   LIG    1       -4.208  -0.173  -1.633  0.00  0.00    -0.275 OA
BRANCH   8  10
ATOM     10  C   LIG    1       -5.476  -0.852   0.309  0.00  0.00    +0.078 C 
ATOM     11  C   LIG    1       -5.965   0.219   1.302  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -7.167   0.986   0.758  0.00  0.00    +0.081 C 
ATOM     13  N   LIG    1       -8.309   0.123   0.467  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -8.925   0.055   1.277  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -7.952  -1.219   0.009  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1       -6.588  -1.267  -0.669  0.00  0.00    +0.028 C 
ENDBRANCH   8  10
ENDBRANCH   3   6
BRANCH   1  17
ATOM     17  S   LIG    1        1.488   1.487  -1.894  0.00  0.00    -0.107 S 
BRANCH  17  18
ATOM     18  C   LIG    1        2.449  -0.037  -2.151  0.00  0.00    +0.170 C 
BRANCH  18  21
ATOM     19  C   LIG    1        5.286  -0.110   0.006  0.00  0.00    +0.131 A 
ATOM     20  O   LIG    1        4.636   0.276  -1.138  0.00  0.00    -0.443 OA
ATOM     21  C   LIG    1        3.394  -0.290  -1.034  0.00  0.00    +0.206 A 
ATOM     22  N   LIG    1        3.213  -0.999   0.064  0.00  0.00    -0.221 NA
ATOM     23  C   LIG    1        4.408  -0.887   0.728  0.00  0.00    +0.156 A 
BRANCH  19  25
ATOM     24  C   LIG    1        6.721   1.910   0.209  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        6.696   0.371   0.190  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        7.574  -0.140  -0.966  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        7.283  -0.145   1.517  0.00  0.00    +0.019 C 
ENDBRANCH  19  25
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6