REMARK  Name = LIG000126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.662   0.166   0.822  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.393  -0.494   2.012  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.005  -0.427   3.061  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.200  -1.315   1.782  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.830  -1.177   0.447  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.725  -1.849  -0.043  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.009  -2.672   0.833  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.385  -2.790   2.188  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.505  -2.110   2.673  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.783  -0.270  -0.257  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.003   2.417  -1.655  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.123   1.988  -0.915  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.074   0.662  -0.567  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        7.755   0.077  -1.034  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.969  -0.007  -0.091  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.872  -1.223  -0.237  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.916   0.875   0.600  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        4.728   2.153  -0.213  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.058   2.882  -0.324  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.236  -3.393   0.331  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.394  -2.526   0.387  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -2.727  -2.290   1.308  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.803  -1.812  -0.712  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -2.272  -1.921  -1.813  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.937  -0.869  -0.485  0.00  0.00    +0.052 C 
ATOM     26  C   LIG    1       -4.801  -0.982   0.732  0.00  0.00    +0.269 C 
ATOM     27  O   LIG    1       -6.041  -0.254   0.722  0.00  0.00    -0.487 OA
ATOM     28  C   LIG    1       -6.152   0.782  -0.161  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1       -5.267   0.985  -1.224  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1       -5.472   2.058  -2.098  0.00  0.00    +0.031 A 
ATOM     31  C   LIG    1       -6.554   2.916  -1.901  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -7.439   2.710  -0.844  0.00  0.00    +0.023 A 
ATOM     33 CL   LIG    1       -6.801   4.238  -2.975  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1       -7.239   1.637   0.025  0.00  0.00    +0.048 A 
ATOM     35  C   LIG    1       -4.160   0.061  -1.425  0.00  0.00    +0.023 C 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4