REMARK  Name = LIG000656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.906   0.645   0.332  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -0.902  -0.011   1.035  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -0.865  -0.301   2.214  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.176  -0.299   0.084  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.155   0.292  -1.134  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.695   0.181  -2.222  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        1.885  -0.538  -2.058  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        2.205  -1.118  -0.812  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        1.342  -1.011   0.283  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.455   1.015  -1.010  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.354  -0.539  -0.632  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.445   0.037  -0.041  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.115   1.331  -0.352  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.673   1.758  -1.079  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.971   2.007  -0.001  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.668   3.049  -0.582  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.032   1.311   0.999  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.871   0.368   1.870  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.596  -0.649   1.001  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  S   LIG    1        3.711  -2.030  -0.635  0.00  0.00    +0.099 S 
ATOM     21  O   LIG    1        3.501  -3.087   0.337  0.00  0.00    -0.146 OA
ATOM     22  O   LIG    1        4.278  -2.290  -1.945  0.00  0.00    -0.146 OA
BRANCH  20  23
ATOM     23  N   LIG    1        4.802  -0.923   0.116  0.00  0.00    -0.134 N 
ATOM     24  N   LIG    1        4.734   0.433   0.034  0.00  0.00    -0.119 NA
ATOM     25  C   LIG    1        5.827   0.826   0.684  0.00  0.00    +0.235 A 
ATOM     26  F   LIG    1        6.147   2.114   0.856  0.00  0.00    -0.182 F 
ATOM     27  C   LIG    1        6.612  -0.236   1.159  0.00  0.00    +0.082 A 
ATOM     28  C   LIG    1        5.935  -1.365   0.761  0.00  0.00    +0.139 A 
ENDBRANCH  20  23
ENDBRANCH   8  20
TORSDOF 3