REMARK  Name = LIG001047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.585  -0.735   0.056  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.281  -0.281   0.179  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -1.906   0.780   0.639  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.400  -1.328  -0.370  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.225  -2.341  -0.871  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.684  -3.482  -1.435  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.294  -3.597  -1.473  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.530  -2.574  -0.967  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.010  -1.394  -0.422  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1       -3.660  -1.972  -0.702  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.992   3.544   0.722  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.272   2.555   0.626  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.673   2.231  -0.565  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.836   2.869  -1.331  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.971   1.088  -0.875  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.636   0.861  -2.037  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.769   0.090   0.276  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.775   0.814   1.622  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.075   1.588   1.770  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   9  20
ATOM     20  C   LIG    1        0.849  -0.296   0.147  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.173  -0.261  -0.434  0.00  0.00    -0.305 N 
ATOM     22  H   LIG    1        2.255  -0.269  -1.448  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.220   0.354   0.218  0.00  0.00    +0.285 C 
ATOM     24  O   LIG    1        3.208   0.735   1.377  0.00  0.00    -0.267 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.438   0.555  -0.688  0.00  0.00    +0.247 C 
ATOM     26  O   LIG    1        4.235   0.592  -1.901  0.00  0.00    -0.282 OA
BRANCH  25  27
ATOM     27  C   LIG    1        5.813   0.670  -0.137  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        6.825   1.139  -0.989  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        8.139   1.254  -0.533  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.454   0.895   0.776  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.457   0.419   1.627  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.140   0.302   1.173  0.00  0.00    +0.012 A 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   9  20
TORSDOF 5