REMARK  Name = LIG001676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.123  -1.165   0.372  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.066  -0.321  -0.230  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.409  -0.660  -0.154  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.599   0.059  -0.699  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.699  -0.818  -0.308  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.270  -1.903   0.438  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.947  -2.756   0.978  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.808  -1.819   0.505  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.911  -2.675   1.108  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -0.555  -2.340   1.032  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.109  -0.461  -0.431  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.484   0.237  -1.749  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.815   0.181  -2.778  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.677   0.924  -1.743  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.922   1.380  -2.612  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.427   1.287  -0.653  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.372   2.062  -0.766  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.052   0.655   0.665  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.556   0.403   0.749  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1        1.914   0.192  -0.141  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        1.268  -0.924   0.353  0.00  0.00    -0.282 N 
ATOM     22  H   LIG    1        1.831  -1.623   0.817  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.382   1.202  -0.589  0.00  0.00    -0.270 OA
BRANCH  20  30
ATOM     24  C   LIG    1        9.837   0.906   0.162  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        8.340   0.982   0.207  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1        7.563  -0.103  -0.219  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        6.169  -0.024  -0.203  0.00  0.00    +0.128 A 
ATOM     28  O   LIG    1        5.494  -1.126  -0.652  0.00  0.00    -0.487 OA
ATOM     29  C   LIG    1        4.092  -1.197  -0.341  0.00  0.00    +0.269 C 
ATOM     30  C   LIG    1        3.401   0.104  -0.070  0.00  0.00    +0.052 C 
ATOM     31  C   LIG    1        4.080   1.232   0.178  0.00  0.00    +0.023 C 
ATOM     32  C   LIG    1        5.533   1.149   0.212  0.00  0.00    +0.017 A 
ATOM     33  C   LIG    1        6.304   2.242   0.618  0.00  0.00    +0.012 A 
ATOM     34  C   LIG    1        7.700   2.158   0.616  0.00  0.00    +0.004 A 
ENDBRANCH  20  30
ENDBRANCH   1  21
TORSDOF 3