REMARK  Name = LIG001085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.941   0.985  -0.611  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -4.328  -0.337  -0.923  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.476  -1.398  -0.610  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1       -2.251  -1.136   0.010  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -1.854   0.163   0.327  0.00  0.00    +0.082 A 
ATOM      6  N   LIG    1       -0.627   0.448   0.949  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1        0.161  -0.541   1.232  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1       -0.161  -1.849   0.967  0.00  0.00    -0.309 N 
ATOM      9  H   LIG    1        0.481  -2.597   1.184  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1       -1.325  -2.228   0.353  0.00  0.00    +0.259 A 
ATOM     11  O   LIG    1       -1.575  -3.401   0.104  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -2.708   1.221   0.011  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -4.464   3.316  -0.695  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -4.837   1.969  -0.952  0.00  0.00    -0.491 OA
ENDBRANCH   1  14
BRANCH   2  15
ATOM     15  O   LIG    1       -5.552  -0.480  -1.529  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1       -5.971  -1.795  -1.870  0.00  0.00    +0.277 C 
ENDBRANCH   2  15
BRANCH   7  17
ATOM     17  C   LIG    1        1.512  -0.311   1.901  0.00  0.00    +0.159 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.507   0.164   0.920  0.00  0.00    -0.291 NA
ATOM     19  C   LIG    1        3.664   0.743   1.643  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        4.758   1.117   0.685  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1        4.840   0.592  -0.588  0.00  0.00    -0.005 A 
ATOM     22  S   LIG    1        6.184   1.146  -1.462  0.00  0.00    -0.101 S 
ATOM     23  C   LIG    1        6.697   2.112  -0.144  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.825  -0.342  -1.158  0.00  0.00    +0.058 C 
ATOM     25  C   LIG    1        5.850   2.005   0.939  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        2.936  -0.895  -0.021  0.00  0.00    +0.090 C 
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 4