REMARK  Name = LIG000442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.046   0.270   0.394  0.00  0.00    +0.195 A 
ATOM      2  C   LIG    1        0.224   1.400   1.151  0.00  0.00    +0.002 A 
ATOM      3  C   LIG    1        1.490   1.755   1.842  0.00  0.00    +0.048 C 
ATOM      4  C   LIG    1       -0.983   2.151   1.159  0.00  0.00    +0.075 A 
ATOM      5  C   LIG    1       -1.938   1.446   0.439  0.00  0.00    +0.262 A 
ATOM      6  O   LIG    1       -1.345   0.292  -0.022  0.00  0.00    -0.432 OA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.647  -0.377  -1.736  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        3.772   0.838  -1.405  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1        2.297   0.463  -1.375  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1        2.044  -0.661  -0.472  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1        0.750  -0.892   0.037  0.00  0.00    +0.282 C 
ATOM     12  O   LIG    1        0.327  -2.036   0.202  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        2.863  -1.844  -0.712  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        4.351  -1.513  -0.751  0.00  0.00    +0.032 C 
BRANCH   7  18
ATOM     15  C   LIG    1        8.383  -0.794  -2.254  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        6.963  -1.013  -2.137  0.00  0.00    -0.318 N 
ATOM     17  H   LIG    1        6.562  -1.800  -2.631  0.00  0.00    +0.148 HD
ATOM     18  C   LIG    1        6.126  -0.005  -1.705  0.00  0.00    +0.216 C 
ATOM     19  O   LIG    1        6.535   1.091  -1.336  0.00  0.00    -0.276 OA
ENDBRANCH   7  18
ENDBRANCH   1  11
BRANCH   5  20
ATOM     20  S   LIG    1       -3.656   1.824   0.095  0.00  0.00    +0.105 S 
ATOM     21  O   LIG    1       -4.231   2.137   1.388  0.00  0.00    -0.147 OA
ATOM     22  O   LIG    1       -3.604   2.808  -0.966  0.00  0.00    -0.147 OA
BRANCH  20  23
ATOM     23  N   LIG    1       -4.391   0.423  -0.568  0.00  0.00    -0.215 N 
ATOM     24  H   LIG    1       -5.099   0.802  -1.208  0.00  0.00    +0.174 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -5.012  -0.408   0.416  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1       -6.499  -0.354   0.644  0.00  0.00    +0.183 C 
ATOM     27  C   LIG    1       -6.803  -0.593   2.094  0.00  0.00    +0.021 C 
ATOM     28  C   LIG    1       -7.610   0.354   2.559  0.00  0.00    +0.066 C 
ATOM     29  C   LIG    1       -7.715   1.272   1.423  0.00  0.00    +0.126 C 
ATOM     30 CL   LIG    1       -8.190   0.699   4.096  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -6.054  -1.651   2.735  0.00  0.00    +0.048 C 
ATOM     32 CL   LIG    1       -6.734  -2.521   4.053  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1       -4.832  -1.964   2.256  0.00  0.00    +0.022 C 
ATOM     34  N   LIG    1       -7.091   0.968   0.319  0.00  0.00    -0.276 NA
ATOM     35  C   LIG    1       -4.227  -1.202   1.165  0.00  0.00    +0.024 C 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   5  20
TORSDOF 5