REMARK  Name = LIG000180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.735   1.826   2.302  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        1.449   0.769   2.989  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.078   2.879   3.047  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -0.488   1.085   1.242  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1       -1.583   1.849   0.822  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -2.550   1.271  -0.002  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -2.425  -0.071  -0.379  0.00  0.00    +0.106 A 
ATOM      8  C   LIG    1       -1.327  -0.833   0.036  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -0.362  -0.258   0.864  0.00  0.00    +0.031 A 
BRANCH   7  10
ATOM     10  S   LIG    1       -3.639  -0.796  -1.467  0.00  0.00    +0.060 S 
ATOM     11  O   LIG    1       -4.271   0.291  -2.186  0.00  0.00    -0.153 OA
ATOM     12  O   LIG    1       -2.990  -1.880  -2.174  0.00  0.00    -0.153 OA
BRANCH  10  13
ATOM     13  N   LIG    1       -4.776  -1.460  -0.391  0.00  0.00    -0.183 NA
ATOM     14  C   LIG    1       -5.599  -0.514   0.381  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.352  -2.634   0.390  0.00  0.00    +0.131 C 
ENDBRANCH  10  13
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        1.777   2.594   1.226  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1        1.519   3.569   1.083  0.00  0.00    +0.174 HD
BRANCH  16  22
ATOM     18  C   LIG    1        5.005  -2.107  -1.262  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1        4.303  -1.097  -0.427  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1        3.582   0.046  -0.899  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.077   0.720   0.216  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        2.312   1.889   0.109  0.00  0.00    +0.072 A 
ATOM     23  C   LIG    1        2.069   2.389  -1.177  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        2.556   1.736  -2.307  0.00  0.00    +0.003 A 
ATOM     25  N   LIG    1        3.494   0.014   1.324  0.00  0.00    -0.359 N 
ATOM     26  H   LIG    1        3.235   0.256   2.275  0.00  0.00    +0.165 HD
ATOM     27  C   LIG    1        3.310   0.565  -2.181  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        4.219  -1.083   0.950  0.00  0.00    +0.087 A 
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 5