REMARK  Name = LIG000110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.487  -0.791  -1.008  0.00  0.00    +0.138 A 
ATOM      2  C   LIG    1       -2.501   0.162  -0.961  0.00  0.00    +0.024 A 
ATOM      3  S   LIG    1       -1.885   1.614  -0.265  0.00  0.00    -0.056 S 
ATOM      4  C   LIG    1       -0.367   0.874  -0.084  0.00  0.00    +0.165 A 
ATOM      5  N   LIG    1       -0.266  -0.363  -0.484  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -2.717  -4.306  -1.307  0.00  0.00    +0.128 C 
ATOM      7  N   LIG    1       -2.590  -2.911  -0.972  0.00  0.00    -0.313 N 
ATOM      8  H   LIG    1       -2.916  -2.611  -0.064  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -1.612  -2.139  -1.571  0.00  0.00    +0.263 C 
ATOM     10  O   LIG    1       -0.881  -2.551  -2.465  0.00  0.00    -0.269 OA
ENDBRANCH   1   9
BRANCH   4  11
ATOM     11  N   LIG    1        0.583   1.661   0.490  0.00  0.00    -0.263 N 
ATOM     12  H   LIG    1        0.304   2.575   0.818  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        1.883   1.311   0.712  0.00  0.00    +0.239 C 
ATOM     14  O   LIG    1        2.579   2.085   1.378  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1        2.424  -0.018   0.169  0.00  0.00    +0.222 C 
BRANCH  15  16
ATOM     16  N   LIG    1        3.867  -0.089   0.357  0.00  0.00    -0.290 N 
ATOM     17  C   LIG    1        4.690   0.481  -0.585  0.00  0.00    +0.257 A 
ATOM     18  O   LIG    1        4.277   1.048  -1.595  0.00  0.00    -0.267 OA
ATOM     19  C   LIG    1        6.153   0.376  -0.317  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        7.042   0.929  -1.388  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        6.533  -0.214   0.832  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        7.975  -0.354   1.250  0.00  0.00    +0.066 C 
ATOM     23  N   LIG    1        5.651  -0.724   1.756  0.00  0.00    -0.242 NA
ATOM     24  C   LIG    1        4.393  -0.635   1.493  0.00  0.00    +0.202 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   4  11
BRANCH   2  25
ATOM     25  C   LIG    1       -3.912   0.112  -1.480  0.00  0.00    +0.049 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.951  -0.313  -0.433  0.00  0.00    +0.040 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.196   0.705   0.654  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -4.746   0.474   1.962  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -4.963   1.423   2.963  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.632   2.608   2.668  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.088   2.846   1.373  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.873   1.899   0.371  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 7