REMARK  Name = LIG001251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.090  -0.275  -0.011  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.761   0.020  -0.138  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        0.220   1.104  -0.269  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.032  -1.244  -0.083  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        0.973  -2.252   0.037  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.614  -3.581   0.111  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.752  -3.870   0.066  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.713  -2.840  -0.056  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.330  -1.496  -0.137  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.293  -1.627   0.048  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        3.340  -2.245   0.080  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        6.888   2.123  -1.194  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.786   1.689  -0.872  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        4.904   1.226  -1.817  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.245   1.211  -2.769  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.659   0.673  -1.613  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.007   0.237  -2.560  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.139   0.721  -0.173  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.297   0.583   0.811  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.302   1.698   0.560  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1       -2.217  -0.407  -0.271  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1       -1.776   0.511  -0.339  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -3.600  -0.435  -0.321  0.00  0.00    +0.220 C 
ATOM     24  O   LIG    1       -4.280  -1.457  -0.234  0.00  0.00    -0.275 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -4.206   0.994  -0.497  0.00  0.00    +0.075 C 
ATOM     26  C   LIG    1       -5.742   1.114  -0.692  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -5.859   1.376   0.820  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -4.392   1.841   0.791  0.00  0.00    +0.013 C 
ENDBRANCH  23  25
ENDBRANCH   9  21
TORSDOF 3