REMARK  Name = LIG000285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.341  -1.188   1.084  0.00  0.00    -0.123 S 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.921  -1.375   0.011  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -2.078  -0.761   0.960  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -2.595   0.192   1.847  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -3.933   0.576   1.764  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -4.754   0.020   0.787  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.245  -0.936  -0.096  0.00  0.00    +0.024 A 
BRANCH   2   8
ATOM      8  N   LIG    1       -2.410  -2.258  -0.964  0.00  0.00    -0.357 N 
ATOM      9  H   LIG    1       -1.573  -2.727  -0.620  0.00  0.00    +0.142 HD
ATOM     10  H   LIG    1       -3.103  -2.914  -1.308  0.00  0.00    +0.142 HD
ENDBRANCH   2   8
ENDBRANCH   1   3
BRANCH   1  11
ATOM     11  C   LIG    1        0.300  -0.014  -0.166  0.00  0.00    +0.087 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.833  -0.010  -0.188  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1        2.418   0.870   0.909  0.00  0.00    +0.223 C 
ATOM     14  O   LIG    1        1.772   1.352   1.834  0.00  0.00    -0.275 OA
ATOM     15  N   LIG    1        3.766   1.117   0.804  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1        4.139   1.708   1.536  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1        4.463   1.191  -0.375  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        5.517   1.815  -0.451  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        3.873   0.451  -1.551  0.00  0.00    +0.097 C 
ATOM     20  C   LIG    1        2.353   0.512  -1.530  0.00  0.00    +0.023 C 
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 4