REMARK  Name = LIG001161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.199  -0.009   0.246  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -2.116  -0.436  -0.549  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -0.823  -0.155  -0.139  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        0.456  -0.474  -0.767  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        1.432   0.056   0.035  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1        0.898   0.631   1.156  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        1.466   1.132   2.107  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1        0.577  -1.088  -1.810  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.553   0.520   1.030  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -1.563   0.948   1.858  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.880   0.674   1.455  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        2.850  -0.176  -0.192  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        3.327  -1.319   0.710  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        2.584  -2.178   1.180  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        4.687  -1.381   0.923  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        5.007  -2.142   1.507  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        5.640  -0.463   0.558  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        6.818  -0.615   0.869  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.173   0.697  -0.292  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        3.727   1.057   0.011  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  22
ATOM     21  C   LIG    1       -4.820  -0.834  -1.432  0.00  0.00    +0.129 C 
ATOM     22  N   LIG    1       -4.525  -0.281  -0.110  0.00  0.00    -0.336 N 
ATOM     23  C   LIG    1       -5.602   0.493   0.506  0.00  0.00    +0.129 C 
ENDBRANCH   1  22
TORSDOF 2