REMARK  Name = LIG001279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.105   1.083   1.894  0.00  0.00    +0.059 A 
ATOM      2  N   LIG    1        0.995   0.532   1.250  0.00  0.00    -0.229 NA
ATOM      3  C   LIG    1        2.109   0.781   1.902  0.00  0.00    +0.164 A 
ATOM      4  S   LIG    1        1.879   1.682   3.362  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1        0.196   1.730   3.076  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   3   6
ATOM      6  N   LIG    1        3.359   0.414   1.563  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1        4.129   0.671   2.166  0.00  0.00    +0.155 HD
BRANCH   6   8
ATOM      8  C   LIG    1        3.830  -0.302   0.470  0.00  0.00    +0.126 A 
ATOM      9  N   LIG    1        5.173  -0.485   0.459  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        5.726  -1.164  -0.560  0.00  0.00    +0.118 A 
ATOM     11  C   LIG    1        4.986  -1.700  -1.599  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1        3.612  -1.513  -1.594  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        3.028  -0.804  -0.548  0.00  0.00    +0.044 A 
BRANCH  10  14
ATOM     14  N   LIG    1        7.108  -1.341  -0.514  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1        7.445  -0.831   0.298  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1        7.550  -1.023  -1.369  0.00  0.00    +0.144 HD
ENDBRANCH  10  14
ENDBRANCH   6   8
ENDBRANCH   3   6
BRANCH   1  17
ATOM     17  C   LIG    1       -1.461   0.873   1.291  0.00  0.00    +0.152 C 
BRANCH  17  20
ATOM     18  N   LIG    1       -3.338   2.176   0.224  0.00  0.00    -0.264 N 
ATOM     19  H   LIG    1       -3.674   3.111   0.028  0.00  0.00    +0.157 HD
ATOM     20  C   LIG    1       -2.190   2.161   0.955  0.00  0.00    +0.224 C 
ATOM     21  O   LIG    1       -1.776   3.263   1.338  0.00  0.00    -0.275 OA
BRANCH  18  25
ATOM     22  C   LIG    1       -5.842  -2.167  -1.174  0.00  0.00    +0.053 C 
ATOM     23  C   LIG    1       -5.367  -0.779  -0.950  0.00  0.00    +0.008 A 
ATOM     24  S   LIG    1       -3.967  -0.458  -0.019  0.00  0.00    -0.057 S 
ATOM     25  C   LIG    1       -4.161   1.210  -0.284  0.00  0.00    +0.165 A 
ATOM     26  N   LIG    1       -5.207   1.547  -1.002  0.00  0.00    -0.233 NA
ATOM     27  C   LIG    1       -5.896   0.415  -1.391  0.00  0.00    +0.124 A 
ENDBRANCH  18  25
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 6