0 0 2

3-[B-D-MANNO-] non-terminal residue, hf/6-31g* esp                           
3mb.dat
3MB  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  1.422   109.5       0.0     0.0   
 4 C1   EC  M  3  2  1  1.400   113.3     180.0     0.3697
 5 H1   HC  E  4  3  2  1.102   111.6      56.2     0.0248
 6 C2   CT  M  4  3  2  1.524   107.4     169.2     0.0462
 7 H2   HC  E  6  4  3  1.105   108.8     -65.0     0.0594
 8 O2   OH  S  6  4  3  1.415   106.3      55.0    -0.6579  
 9 H2O  HO  E  8  6  4  0.957   110.0     167.9     0.4567 
10 C3   CT  M  6  4  3  1.529   110.3     178.9     0.1238 
11 H3   HC  E 10  6  4  1.101   109.0      65.8     0.0188
12 C4   CT  3 10  6  4  1.519   110.6     -53.3     0.7863 
13 H4   HC  E 12 10  6  1.100   109.6     -68.1    -0.0436
14 O4   OH  S 12 10  6  1.430   109.6     171.4    -0.8151
15 H4O  HO  E 14 12 10  0.958   109.2     115.2     0.4567  
16 C5   CT  3 12 10  6  1.528   110.1      52.8    -0.0910
17 H5   HC  E 16 12 10  1.105   108.8      65.6     0.0569
18 OR   OS  E 16 12 10  1.435   110.8     -54.4    -0.3604  
19 C6   CT  3 16 12 10  1.517   113.3    -174.2     0.2225
20 H61  HC  E 19 16 12  1.092   108.3     179.3     0.0387
21 H62  HC  E 19 16 12  1.093   108.8      62.9     0.0258
22 O6   OH  S 19 16 12  1.413   112.7     -65.1    -0.6949  
23 H6O  HO  E 22 19 16  0.955   108.1     -96.0     0.4390 
24 O3   OG  M 10  6  4  1.421   109.9    -173.3    -0.4624
                              
LOOP
OR C1

DONE
STOP