REMARK  Name = LIG000101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.526  -0.965   0.296  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.401   0.059   0.571  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -1.749  -0.205   0.405  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1       -2.929   0.688   0.598  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.052  -0.205   0.347  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.635  -1.441  -0.125  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.310  -2.356  -0.554  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.171  -1.457  -0.035  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.292  -2.480  -0.332  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.071  -2.224  -0.165  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.412   0.308   0.213  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.706   0.731  -1.235  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.848   1.168  -2.002  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.029   0.714  -1.612  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.224   1.025  -2.553  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.123   0.428  -0.834  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.262   0.587  -1.263  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.852   0.004   0.590  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.487  -0.653   0.720  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        2.002  -0.704   0.441  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1        4.704   0.195   0.029  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        4.394  -0.364   0.806  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1        3.796   0.397  -0.976  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        2.539  -0.072  -0.741  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        1.912   0.096  -1.519  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1        4.006   0.954  -2.048  0.00  0.00    -0.252 OA
BRANCH  21  30
ATOM     27  C   LIG    1        8.753   1.369   0.314  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        8.147   0.600   1.310  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.804   0.226   1.188  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1        6.051   0.611   0.071  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        6.663   1.382  -0.919  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1        8.007   1.759  -0.801  0.00  0.00    +0.020 A 
BRANCH  27  34
ATOM     33  N   LIG    1       11.242   2.064   0.542  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1       10.128   1.755   0.435  0.00  0.00    +0.099 C 
ENDBRANCH  27  34
ENDBRANCH  21  30
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5