REMARK  Name = LIG000717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.170  -0.407  -0.233  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        0.794  -0.661  -1.198  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.637  -1.127  -2.309  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.083  -0.259  -0.625  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.845   0.289   0.635  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        2.898   0.754   1.401  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        4.184   0.653   0.868  0.00  0.00    +0.117 A 
ATOM      8  C   LIG    1        4.420   0.103  -0.402  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        3.350  -0.363  -1.170  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        0.383   0.281   0.928  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.561   0.568  -0.064  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.405   0.211  -0.272  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -3.529   1.014  -0.958  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -3.889   1.931  -1.188  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -2.156   0.931  -0.911  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -1.467   1.920  -1.151  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -1.595  -0.452  -0.537  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.419  -1.027   0.612  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.876  -1.128   0.187  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  O   LIG    1        5.215   1.116   1.634  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        6.045   1.006   1.140  0.00  0.00    +0.292 HD
ENDBRANCH   7  20
TORSDOF 2