REMARK  Name = LIG001772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.803   0.174  -0.487  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.398   1.424  -0.426  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.576   1.706  -0.531  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.326   2.394  -0.185  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.127   1.697  -0.012  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.055   2.383   0.243  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -0.018   3.784   0.300  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -1.238   4.469   0.123  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.416   3.770  -0.120  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.397   0.233  -0.121  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.714  -3.663   0.117  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.828  -2.836  -0.081  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.200  -2.209   0.965  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.534  -2.450   1.889  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.083  -1.408   0.920  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.512  -1.077   1.958  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.538  -1.088  -0.481  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.656  -1.158  -1.521  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.309  -2.530  -1.467  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  N   LIG    1        1.250   1.651   0.420  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        1.167   0.645   0.371  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        2.494   2.155   0.763  0.00  0.00    +0.250 C 
ATOM     23  O   LIG    1        2.769   3.316   1.036  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1        3.579   1.149   0.834  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1        3.663   0.055  -0.028  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        4.724  -0.854   0.106  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.681  -0.620   1.120  0.00  0.00    +0.071 A 
ATOM     28  C   LIG    1        6.727  -1.521   1.256  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        6.851  -2.634   0.420  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.912  -2.858  -0.580  0.00  0.00    +0.001 A 
ATOM     31  N   LIG    1        5.610   0.442   1.942  0.00  0.00    -0.254 NA
ATOM     32  C   LIG    1        4.849  -1.971  -0.739  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1        4.579   1.308   1.780  0.00  0.00    +0.124 A 
ENDBRANCH  22  24
ENDBRANCH   6  20
TORSDOF 3