REMARK  Name = LIG000855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.836  -2.735  -2.935  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.427  -2.719  -1.777  0.00  0.00    +0.223 C 
ATOM      3  N   LIG    1        1.137  -2.340  -0.658  0.00  0.00    -0.264 N 
ATOM      4  H   LIG    1        0.688  -2.362   0.248  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.407  -1.828  -0.611  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1        3.370  -1.585  -1.994  0.00  0.00    -0.046 S 
ATOM      7  C   LIG    1        4.607  -0.929  -1.013  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        4.217  -0.985   0.309  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        2.950  -1.490   0.536  0.00  0.00    -0.232 NA
BRANCH   7  10
ATOM     10  S   LIG    1        6.110  -0.314  -1.664  0.00  0.00    -0.112 S 
BRANCH  10  11
ATOM     11  C   LIG    1        5.963   1.453  -1.256  0.00  0.00    +0.111 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.835   2.143  -1.970  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        3.691   2.546  -1.286  0.00  0.00    +0.115 A 
ATOM     14  N   LIG    1        2.641   3.174  -1.862  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        2.724   3.401  -3.189  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.812   3.039  -3.965  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.883   2.403  -3.343  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.976  -3.227  -1.464  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.748  -2.381  -0.480  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -2.036  -1.045  -0.762  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -2.736  -0.258   0.163  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -3.181  -0.766   1.393  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -2.890  -2.115   1.646  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -2.189  -2.914   0.732  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -3.865   0.012   2.296  0.00  0.00    -0.330 N 
ATOM     26  C   LIG    1       -4.316   1.376   2.029  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1       -5.260   1.684   3.188  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -4.672   0.876   4.331  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -4.223  -0.413   3.646  0.00  0.00    +0.105 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7