REMARK  Name = LIG000906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.056   1.658   2.114  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.179   0.585   1.524  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.339   0.088   0.201  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.470  -0.911  -0.259  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -1.852  -1.217  -1.550  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1       -1.362  -1.888  -2.136  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -2.908  -0.440  -1.936  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -0.444  -1.448   0.529  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -0.311  -0.965   1.832  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -3.239   0.373  -0.875  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -1.155   0.032   2.317  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.452  -2.463   0.087  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1        0.934  -3.010   0.800  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        1.407  -2.237  -1.281  0.00  0.00    +0.072 S 
ATOM     15  O   LIG    1        2.455  -3.232  -1.210  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        0.546  -2.140  -2.442  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.160  -0.652  -1.000  0.00  0.00    +0.110 A 
ATOM     18  C   LIG    1        3.273  -0.566  -0.155  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        3.874   0.677   0.064  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        3.367   1.819  -0.570  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        2.267   1.720  -1.425  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        1.664   0.483  -1.647  0.00  0.00    +0.029 A 
BRANCH  19  23
ATOM     23  C   LIG    1        5.004   0.784   0.940  0.00  0.00    +0.099 C 
ATOM     24  N   LIG    1        5.912   0.866   1.659  0.00  0.00    -0.191 NA
ENDBRANCH  19  23
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  25
ATOM     25  C   LIG    1       -4.305   1.326  -0.897  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -5.165   2.105  -0.911  0.00  0.00    -0.191 NA
ENDBRANCH  10  25
TORSDOF 5