REMARK  Name = LIG000198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.552  -0.776   1.057  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -1.710  -0.196   0.543  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -2.092   1.243   0.434  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -3.372   1.202  -0.258  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -3.823  -0.094  -0.421  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -4.906  -0.472  -0.818  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.743  -0.982   0.024  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.689  -2.358  -0.030  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.531  -2.959   0.450  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -0.479  -2.177   0.975  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -4.182   2.407  -0.410  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.188   2.515   0.735  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.831   2.573   1.913  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.518   2.511   0.408  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.164   2.588   1.181  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.095   2.299  -0.816  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.318   2.300  -0.935  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.177   2.036  -1.981  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.793   2.630  -1.792  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  N   LIG    1        0.484   0.039   1.548  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1        0.159   0.922   1.917  0.00  0.00    +0.154 HD
BRANCH  20  27
ATOM     22  C   LIG    1        3.751  -1.661   1.663  0.00  0.00    +0.221 C 
ATOM     23  N   LIG    1        4.429  -0.728   2.542  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        5.442  -0.732   2.479  0.00  0.00    +0.148 HD
ATOM     25  C   LIG    1        3.845   0.448   2.898  0.00  0.00    +0.072 C 
ATOM     26  C   LIG    1        2.578   0.734   2.602  0.00  0.00    +0.058 C 
ATOM     27  C   LIG    1        1.808  -0.282   1.810  0.00  0.00    +0.122 C 
ATOM     28  N   LIG    1        2.348  -1.367   1.360  0.00  0.00    -0.242 NA
BRANCH  22  31
ATOM     29  C   LIG    1        5.217  -1.091  -1.839  0.00  0.00    +0.120 A 
ATOM     30  C   LIG    1        4.428  -0.954  -0.695  0.00  0.00    +0.053 A 
ATOM     31  C   LIG    1        4.584  -1.827   0.399  0.00  0.00    -0.002 A 
ATOM     32  C   LIG    1        5.564  -2.832   0.328  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        6.356  -2.968  -0.811  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        6.181  -2.099  -1.887  0.00  0.00    +0.045 A 
BRANCH  29  36
ATOM     35  C   LIG    1        4.103   0.652  -3.005  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1        5.150  -0.308  -2.959  0.00  0.00    -0.495 OA
ENDBRANCH  29  36
ENDBRANCH  22  31
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 5