REMARK  Name = LIG001108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.705   1.783   1.122  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -3.151   1.054   0.040  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -1.786   1.078   0.245  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.922   0.445  -0.631  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -1.490  -0.160  -1.695  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -2.833  -0.144  -1.829  0.00  0.00    +0.191 A 
ATOM      7  N   LIG    1       -1.605   1.821   1.373  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1       -0.726   2.083   1.803  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -3.726   0.429  -1.007  0.00  0.00    -0.218 NA
ATOM     10  N   LIG    1       -2.748   2.244   1.946  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.626   1.385   2.684  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -5.158   2.050   1.388  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -5.468   3.548   1.409  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  N   LIG    1        0.455   0.441  -0.442  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        0.728   0.401   0.532  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.195  -0.489  -1.282  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.650  -0.458  -0.874  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        3.210  -1.502  -0.129  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        4.554  -1.456   0.264  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        5.380  -0.367  -0.070  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.795   0.681  -0.803  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        3.454   0.639  -1.201  0.00  0.00    +0.006 A 
BRANCH  20  23
ATOM     23  C   LIG    1        6.798  -0.301   0.333  0.00  0.00    +0.089 A 
ATOM     24  N   LIG    1        7.311   0.942   0.544  0.00  0.00    -0.252 NA
ATOM     25  C   LIG    1        8.610   1.005   0.918  0.00  0.00    +0.131 A 
ATOM     26  C   LIG    1        9.394  -0.123   1.077  0.00  0.00    +0.130 A 
ATOM     27  N   LIG    1        8.915  -1.367   0.866  0.00  0.00    -0.260 NA
ATOM     28  C   LIG    1        7.611  -1.425   0.490  0.00  0.00    +0.139 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   6  29
ATOM     29  S   LIG    1       -3.502  -0.989  -3.240  0.00  0.00    -0.085 S 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.286  -2.703  -2.657  0.00  0.00    +0.092 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.455  -3.197  -1.794  0.00  0.00    +0.089 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -4.511  -2.591  -0.464  0.00  0.00    -0.329 NA
ATOM     33  H   LIG    1       -5.340  -2.929   0.025  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1       -4.647  -1.580  -0.561  0.00  0.00    +0.118 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   6  29
TORSDOF 9