REMARK  Name = LIG000031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.333  -0.794  -0.489  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.741  -1.804  -1.234  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.281  -2.602  -1.975  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.301  -1.740  -0.963  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.064  -0.655  -0.127  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.775  -0.365   0.289  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.295  -1.163  -0.160  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.010  -2.281  -0.977  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -1.292  -2.570  -1.401  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.345   0.045   0.179  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.918   2.201  -0.636  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -8.023   1.363  -0.687  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.102   1.371  -1.703  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.176   2.160  -2.331  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.856   0.786  -1.662  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.945   1.220  -2.362  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.721  -0.399  -0.690  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.423  -0.048   0.619  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.886   0.263   0.341  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        1.573  -0.885   0.337  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1        1.687   0.095   0.585  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.747  -1.420  -0.339  0.00  0.00    +0.137 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.988  -0.809   0.269  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        4.703   0.190  -0.409  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        5.849   0.775   0.155  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        6.284   0.353   1.432  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1        7.428   0.938   1.996  0.00  0.00    +0.054 A 
ATOM     28  C   LIG    1        8.127   1.922   1.305  0.00  0.00    +0.117 A 
ATOM     29  C   LIG    1        7.709   2.345   0.050  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        5.561  -0.639   2.111  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1        6.572   1.772  -0.522  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1        4.425  -1.212   1.537  0.00  0.00    +0.006 A 
BRANCH  28  33
ATOM     33  O   LIG    1        9.232   2.454   1.903  0.00  0.00    -0.507 OA
ATOM     34  H   LIG    1        9.616   3.120   1.309  0.00  0.00    +0.292 HD
ENDBRANCH  28  33
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 5