REMARK  Name = LIG000592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.264   0.136   0.014  0.00  0.00    -0.296 N 
ATOM      2  C   LIG    1        0.912  -0.271   0.670  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.983   0.246  -0.010  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        3.318   0.070   0.338  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        3.546  -0.711   1.488  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.457  -1.260   2.201  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        4.259   0.692  -0.512  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        3.828   1.434  -1.638  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.462   1.570  -1.941  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.558   0.958  -1.097  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        1.126  -1.044   1.794  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        0.083   0.882  -1.112  0.00  0.00    +0.260 A 
ATOM     13  O   LIG    1       -0.637   1.377  -1.956  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1       -5.631  -0.985  -0.276  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -4.443  -0.716  -0.130  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1       -3.468  -1.456  -0.751  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.791  -2.200  -1.354  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -2.103  -1.368  -0.588  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1       -1.368  -2.204  -1.112  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -1.610  -0.272   0.367  0.00  0.00    +0.177 C 
ATOM     21  C   LIG    1       -2.601   0.892   0.402  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -3.974   0.375   0.803  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
TORSDOF 1