REMARK  Name = LIG000217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.118   0.381   1.599  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.258   0.380   1.423  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.053   0.195   0.211  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -2.366   0.311   0.571  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -2.496   0.488   1.923  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -3.511   0.580   2.584  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -0.565  -0.034  -0.881  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.143   0.561   2.470  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -0.714   0.760   3.765  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.667   0.775   3.977  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        1.573   0.587   2.906  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.502   0.052  -0.300  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -3.619  -1.456  -0.543  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.118  -2.309   0.188  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.383  -1.826  -1.627  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.467  -2.821  -1.787  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.859  -1.020  -2.631  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.420  -1.496  -3.614  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.705   0.471  -2.433  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.451   0.794  -1.633  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  22
ATOM     21  C   LIG    1        3.329   0.155   0.431  0.00  0.00    +0.223 C 
ATOM     22  N   LIG    1        1.946   0.173   0.475  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        1.448   0.013  -0.400  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        4.059   0.346   1.400  0.00  0.00    -0.275 OA
BRANCH  21  26
ATOM     25  C   LIG    1        5.447  -0.128  -0.904  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1        3.909  -0.127  -0.975  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1        3.442  -1.504  -1.473  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1        3.467   0.969  -1.958  0.00  0.00    +0.020 C 
ENDBRANCH  21  26
ENDBRANCH   1  22
TORSDOF 3