REMARK  Name = LIG001255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.501  -2.545   0.147  0.00  0.00    +0.164 A 
ATOM      2  S   LIG    1       -1.427  -4.222   0.566  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1       -0.324  -4.504  -0.710  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.067  -3.326  -1.380  0.00  0.00    +0.059 A 
ATOM      5  N   LIG    1       -0.747  -2.219  -0.882  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1       -2.271  -1.725   0.885  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1       -2.688  -2.074   1.738  0.00  0.00    +0.155 HD
BRANCH   6  11
ATOM      8  C   LIG    1       -4.038   2.078   3.088  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.325   1.524   1.891  0.00  0.00    +0.040 A 
ATOM     10  N   LIG    1       -3.101   0.187   1.866  0.00  0.00    -0.237 NA
ATOM     11  C   LIG    1       -2.456  -0.350   0.805  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1       -2.040   0.442  -0.258  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -2.273   1.815  -0.226  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -2.924   2.369   0.867  0.00  0.00    +0.023 A 
ENDBRANCH   6  11
ENDBRANCH   1   6
BRANCH   4  15
ATOM     15  C   LIG    1        0.851  -3.131  -2.544  0.00  0.00    +0.152 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.071  -2.288  -2.198  0.00  0.00    +0.224 C 
ATOM     17  N   LIG    1        1.768  -1.162  -1.466  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        0.824  -1.039  -1.113  0.00  0.00    +0.157 HD
ATOM     19  O   LIG    1        3.178  -2.614  -2.621  0.00  0.00    -0.275 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.699  -0.249  -1.070  0.00  0.00    +0.165 A 
ATOM     21  S   LIG    1        2.067   0.996  -0.085  0.00  0.00    -0.057 S 
ATOM     22  C   LIG    1        3.634   1.687   0.017  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        3.877   2.925   0.799  0.00  0.00    +0.053 C 
ATOM     24  C   LIG    1        4.519   0.918  -0.712  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1        3.977  -0.189  -1.335  0.00  0.00    -0.233 NA
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 5