REMARK  Name = LIG001252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.745   0.341   2.636  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -1.042   0.402   1.626  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        0.290   0.632   1.810  0.00  0.00    -0.265 N 
ATOM      4  H   LIG    1        0.579   0.736   2.772  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.248   0.737   0.848  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1        2.816   1.028   1.457  0.00  0.00    -0.046 S 
ATOM      7  C   LIG    1        3.422   1.031  -0.146  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        2.378   0.829  -1.027  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        1.134   0.645  -0.451  0.00  0.00    -0.232 NA
BRANCH   7  10
ATOM     10  S   LIG    1        5.099   1.305  -0.570  0.00  0.00    -0.112 S 
BRANCH  10  11
ATOM     11  C   LIG    1        5.920  -0.018   0.369  0.00  0.00    +0.111 C 
BRANCH  11  12
ATOM     12  C   LIG    1        7.380  -0.110   0.030  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        7.833  -0.967  -0.968  0.00  0.00    +0.115 A 
ATOM     14  N   LIG    1        9.130  -1.099  -1.327  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       10.022  -0.329  -0.669  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        9.677   0.564   0.332  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        8.335   0.675   0.684  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       -1.596   0.234   0.215  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.115  -0.023   0.066  0.00  0.00    -0.020 C 
ATOM     20  C   LIG    1       -3.557  -1.341   0.752  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1       -5.059  -1.596   0.527  0.00  0.00    -0.010 C 
ATOM     22  C   LIG    1       -5.333  -1.716  -0.980  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -4.928  -0.416  -1.691  0.00  0.00    -0.010 C 
ATOM     24  C   LIG    1       -5.739   0.754  -1.114  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -5.466   0.888   0.392  0.00  0.00    -0.010 C 
ATOM     26  C   LIG    1       -5.865  -0.418   1.098  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -3.431  -0.158  -1.454  0.00  0.00    +0.011 C 
ATOM     28  C   LIG    1       -3.966   1.150   0.617  0.00  0.00    +0.011 C 
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6