REMARK  Name = LIG000968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.705  -0.045   0.605  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -1.862   0.696   1.421  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.096   1.152   2.523  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.593   0.841   0.699  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.736   0.246  -0.552  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.318   0.249  -1.450  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        1.537   0.830  -1.060  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        1.641   1.464   0.201  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.572   1.461   1.101  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.118  -0.298  -0.705  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.095  -0.708  -0.094  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.943  -0.537   0.292  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.325   0.680   0.159  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.863   1.369  -0.351  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.965   0.887   0.138  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.493   1.853  -0.458  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.131  -0.169   0.884  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.673  -1.555   0.548  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.138  -1.634   0.949  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        2.582   0.903  -2.020  0.00  0.00    -0.300 N 
ATOM     21  H   LIG    1        2.438   1.784  -2.517  0.00  0.00    +0.153 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.909   0.855  -1.648  0.00  0.00    +0.149 C 
ATOM     23  C   LIG    1        4.565  -0.393  -1.110  0.00  0.00    +0.126 C 
ATOM     24  C   LIG    1        6.025   0.076  -1.165  0.00  0.00    +0.244 C 
ATOM     25  C   LIG    1        6.836  -0.146   0.078  0.00  0.00    +0.059 C 
ATOM     26  C   LIG    1        6.294  -0.627   1.201  0.00  0.00    +0.123 C 
ATOM     27  C   LIG    1        4.899  -0.958   1.299  0.00  0.00    +0.035 C 
ATOM     28  F   LIG    1        7.059  -0.802   2.296  0.00  0.00    -0.206 F 
ATOM     29  O   LIG    1        5.995   1.490  -1.411  0.00  0.00    -0.384 OA
ATOM     30  C   LIG    1        4.080  -0.852   0.242  0.00  0.00    -0.009 C 
ATOM     31  N   LIG    1        4.706   1.861  -1.842  0.00  0.00    -0.072 NA
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 3