0 0 2

3-[2-ACETAMIDO-B-D-GLUCO-] non-terminal for O-linkages hf/6-31g* esp
3no.dat
3NO INT 0
CORRECT OMIT DU BEG
0.0
 1 DUMM DU  M  0 -1 -2  0.000     0.0       0.0     0.0
 2 DUMM DU  M  1  0 -1  1.522     0.0       0.0     0.0
 3 DUMM DU  M  2  1  0  1.447   109.5       0.0     0.0
 4 C1   EC  M  3  2  1  1.388   117.1      77.3     0.4759
 5 H1   HC  E  4  3  2  1.102   110.0      30.2     0.0284
 6 C2   CT  M  4  3  2  1.522   109.6     151.6    -0.0978
 7 H2   HC  E  6  4  3  1.105   110.2      51.9     0.1932
 8 N2   N   B  6  4  3  1.446   111.4     -66.6    -0.7068  
 9 H2N  H   E  8  6  4  1.000   119.9     -58.2     0.3270
10 C2N  C   B  8  6  4  1.320   124.9     113.7     0.9624
11 O2N  O   E 10  8  6  1.246   121.3      -5.3    -0.6719
12 CME  CT  3 10  8  6  1.495   115.9     178.4    -0.6761
13 H1M  HC  E 12 10  8  1.090   104.4    -115.3     0.1888
14 H2M  HC  E 12 10  8  1.090   115.5     141.7     0.1712
15 H3M  HC  E 12 10  8  1.090   112.5      29.3     0.1738
16 C3   CT  M  6  4  3  1.529   110.9     169.8     0.4495 
17 H3   HC  E 16  6  4  1.101   105.4      67.5    -0.0165
18 C4   CT  3 16  6  4  1.519   110.6     -48.2     0.0903 
19 H4   HC  E 18 16  6  1.100   109.6     -66.1     0.0321
20 O4   OH  S 18 16  6  1.430   109.6     172.0    -0.7147
21 H4O  HO  E 20 18 16  0.958   109.2     126.0     0.4430  
22 C5   CT  3 18 16  6  1.528   110.1      50.9     0.4073
23 H5   HC  E 22 18 16  1.105   108.8      62.7    -0.0051
24 OR   OS  E 22 18 16  1.435   110.8     -58.6    -0.5349  
25 C6   CT  3 22 18 16  1.517   113.3    -178.1     0.2235
26 H61  HC  E 25 22 18  1.092   108.3     -63.3    -0.0165
27 H62  HC  E 25 22 18  1.093   108.8      59.6     0.0059
28 O6   OH  S 25 22 18  1.413   112.7     178.8    -0.7012  
29 H6O  HO  E 28 25 22  0.955   108.1    -178.6     0.4368 
30 O3   OG  M 16  6  4  1.421   108.0    -171.5    -0.4676
                              
LOOP     
OR C1

IMPROPER
  C2 C2N  N2 H2N
 CME  N2 C2N O2N

DONE
STOP