REMARK  Name = LIG001042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.742   4.093   1.333  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -1.127   3.293   0.484  0.00  0.00    +0.223 C 
ATOM      3  N   LIG    1       -0.427   2.207   0.004  0.00  0.00    -0.264 N 
ATOM      4  H   LIG    1       -0.841   1.592  -0.682  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.800   1.847   0.484  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1        1.431   0.433  -0.233  0.00  0.00    -0.046 S 
ATOM      7  C   LIG    1        2.836   0.582   0.744  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        2.702   1.689   1.559  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        1.541   2.420   1.394  0.00  0.00    -0.232 NA
BRANCH   7  10
ATOM     10  S   LIG    1        4.150  -0.573   0.651  0.00  0.00    -0.112 S 
BRANCH  10  11
ATOM     11  C   LIG    1        5.597   0.484   0.945  0.00  0.00    +0.111 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.880  -0.264   0.723  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        7.487  -0.973   1.756  0.00  0.00    +0.115 A 
ATOM     14  N   LIG    1        8.640  -1.668   1.626  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        9.212  -1.671   0.403  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        8.686  -1.009  -0.694  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.502  -0.297  -0.529  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -2.474   3.494  -0.198  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.289   2.231  -0.349  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -3.576   1.712  -1.614  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -4.308   0.526  -1.741  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -4.777  -0.180  -0.618  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.494   0.369   0.645  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -3.761   1.554   0.780  0.00  0.00    +0.005 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.545  -1.436  -0.782  0.00  0.00    +0.071 A 
ATOM     26  N   LIG    1       -6.239  -1.553  -1.944  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -6.963  -2.677  -2.143  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -7.032  -3.719  -1.238  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -6.312  -3.603  -0.057  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.559  -2.453   0.174  0.00  0.00    +0.028 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7