AVG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.34Å | 1.23Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | C1 | doub | 1.21Å | 1.31Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | HC2 | sing | 1.09Å | 1.11Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| C3 | C4 | sing | 1.53Å | 1.44Å | |
| C3 | HC31 | sing | 1.09Å | 1.12Å | |
| C3 | HC32 | sing | 1.09Å | 1.12Å | |
| C4 | O3 | sing | 1.43Å | 1.42Å | |
| C4 | HC41 | sing | 1.09Å | 1.12Å | |
| C4 | HC42 | sing | 1.09Å | 1.12Å | |
| O3 | C5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | HC51 | sing | 1.09Å | 1.12Å | |
| C5 | HC52 | sing | 1.09Å | 1.12Å | |
| C6 | N2 | sing | 1.47Å | 1.46Å | |
| C6 | HC61 | sing | 1.09Å | 1.11Å | |
| C6 | HC62 | sing | 1.09Å | 1.12Å | |
| N2 | HN21 | sing | 1.01Å | 1.02Å | |
| N2 | HN22 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 119.4° | 120.0° |
| O1 | C1 | O2 | 119.5° | 120.0° |
| O1 | C1 | C2 | 120.6° | 120.1° |
| O2 | C1 | C2 | 119.7° | 120.0° |
| C1 | C2 | N1 | 109.8° | 109.5° |
| C1 | C2 | C3 | 109.6° | 109.6° |
| C1 | C2 | HC2 | 109.1° | 109.4° |
| N1 | C2 | C3 | 109.4° | 109.4° |
| N1 | C2 | HC2 | 109.4° | 109.5° |
| C2 | N1 | HN11 | 109.8° | 106.8° |
| C2 | N1 | HN12 | 112.1° | 106.7° |
| C3 | C2 | HC2 | 109.5° | 109.4° |
| C2 | C3 | C4 | 120.6° | 109.5° |
| C2 | C3 | HC31 | 108.3° | 109.5° |
| C2 | C3 | HC32 | 108.2° | 109.5° |
| HN11 | N1 | HN12 | 112.1° | 106.7° |
| C4 | C3 | HC31 | 108.2° | 109.5° |
| C4 | C3 | HC32 | 108.2° | 109.4° |
| C3 | C4 | O3 | 120.1° | 109.5° |
| C3 | C4 | HC41 | 108.4° | 109.4° |
| C3 | C4 | HC42 | 108.4° | 109.4° |
| HC31 | C3 | HC32 | 101.7° | 109.4° |
| O3 | C4 | HC41 | 108.4° | 109.5° |
| O3 | C4 | HC42 | 108.4° | 109.5° |
| C4 | O3 | C5 | 110.0° | 106.9° |
| HC41 | C4 | HC42 | 101.6° | 109.5° |
| O3 | C5 | C6 | 109.4° | 109.6° |
| O3 | C5 | HC51 | 112.3° | 109.5° |
| O3 | C5 | HC52 | 112.3° | 109.5° |
| C6 | C5 | HC51 | 112.3° | 109.5° |
| C6 | C5 | HC52 | 112.2° | 109.4° |
| C5 | C6 | N2 | 109.5° | 109.5° |
| C5 | C6 | HC61 | 112.2° | 109.4° |
| C5 | C6 | HC62 | 112.2° | 109.5° |
| HC51 | C5 | HC52 | 98.1° | 109.4° |
| N2 | C6 | HC61 | 112.2° | 109.5° |
| N2 | C6 | HC62 | 112.2° | 109.5° |
| C6 | N2 | HN21 | 109.5° | 106.7° |
| C6 | N2 | HN22 | 112.2° | 106.7° |
| HC61 | C6 | HC62 | 98.2° | 109.4° |
| HN21 | N2 | HN22 | 112.3° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 174.4° | 179.9° |
| O1 | C1 | C2 | N1 | 23.9° | 150.1° |
| O1 | C1 | C2 | C3 | 96.3° | 89.9° |
| O1 | C1 | C2 | HC2 | 143.8° | 30.1° |
| HO1 | O1 | C1 | O2 | 180.0° | 0.1° |
| HO1 | O1 | C1 | C2 | 5.6° | 179.9° |
| O2 | C1 | C2 | N1 | 161.8° | 30.1° |
| O2 | C1 | C2 | C3 | 78.0° | 89.9° |
| O2 | C1 | C2 | HC2 | 41.9° | 150.1° |
| C1 | C2 | N1 | C3 | 120.3° | 120.1° |
| C1 | C2 | N1 | HC2 | 119.7° | 120.0° |
| C1 | C2 | C3 | HC2 | 119.7° | 120.0° |
| C1 | C2 | N1 | HN11 | 180.0° | 60.0° |
| C1 | C2 | N1 | HN12 | 54.8° | 173.9° |
| C1 | C2 | C3 | C4 | 145.4° | 180.0° |
| C1 | C2 | C3 | HC31 | 89.3° | 59.9° |
| C1 | C2 | C3 | HC32 | 20.2° | 60.0° |
| N1 | C2 | C3 | HC2 | 119.9° | 120.0° |
| C2 | N1 | HN11 | HN12 | 125.2° | 113.8° |
| N1 | C2 | C3 | C4 | 94.1° | 60.0° |
| N1 | C2 | C3 | HC31 | 31.1° | 180.0° |
| N1 | C2 | C3 | HC32 | 140.6° | 60.0° |
| C3 | C2 | N1 | HN11 | 59.7° | 60.1° |
| C3 | C2 | N1 | HN12 | 65.5° | 53.8° |
| C2 | C3 | C4 | HC31 | 125.3° | 120.1° |
| C2 | C3 | C4 | HC32 | 125.3° | 120.0° |
| C2 | C3 | HC31 | HC32 | 113.9° | 120.0° |
| C2 | C3 | C4 | O3 | 90.1° | 180.0° |
| C2 | C3 | C4 | HC41 | 35.2° | 60.0° |
| C2 | C3 | C4 | HC42 | 144.7° | 60.0° |
| HC2 | C2 | N1 | HN11 | 60.3° | 180.0° |
| HC2 | C2 | N1 | HN12 | 174.5° | 66.2° |
| HC2 | C2 | C3 | C4 | 25.7° | 60.0° |
| HC2 | C2 | C3 | HC31 | 151.0° | 60.0° |
| HC2 | C2 | C3 | HC32 | 99.5° | 180.0° |
| C4 | C3 | HC31 | HC32 | 113.9° | 119.9° |
| C3 | C4 | O3 | HC41 | 125.3° | 120.0° |
| C3 | C4 | O3 | HC42 | 125.3° | 120.0° |
| C3 | C4 | HC41 | HC42 | 114.1° | 119.9° |
| C3 | C4 | O3 | C5 | 104.2° | 180.0° |
| HC31 | C3 | C4 | O3 | 144.7° | 59.9° |
| HC31 | C3 | C4 | HC41 | 90.1° | 179.9° |
| HC31 | C3 | C4 | HC42 | 19.4° | 60.1° |
| HC32 | C3 | C4 | O3 | 35.2° | 60.0° |
| HC32 | C3 | C4 | HC41 | 160.5° | 60.0° |
| HC32 | C3 | C4 | HC42 | 90.1° | 180.0° |
| O3 | C4 | HC41 | HC42 | 114.0° | 120.0° |
| C4 | O3 | C5 | C6 | 131.9° | 180.0° |
| C4 | O3 | C5 | HC51 | 102.8° | 60.0° |
| C4 | O3 | C5 | HC52 | 6.6° | 60.0° |
| HC41 | C4 | O3 | C5 | 130.5° | 60.0° |
| HC42 | C4 | O3 | C5 | 21.0° | 60.0° |
| O3 | C5 | C6 | HC51 | 125.3° | 120.1° |
| O3 | C5 | C6 | HC52 | 125.3° | 120.0° |
| O3 | C5 | HC51 | HC52 | 118.2° | 120.0° |
| O3 | C5 | C6 | N2 | 80.4° | 59.9° |
| O3 | C5 | C6 | HC61 | 44.9° | 60.0° |
| O3 | C5 | C6 | HC62 | 154.4° | 179.9° |
| C6 | C5 | HC51 | HC52 | 118.1° | 119.9° |
| C5 | C6 | N2 | HC61 | 125.3° | 119.9° |
| C5 | C6 | N2 | HC62 | 125.2° | 120.1° |
| C5 | C6 | HC61 | HC62 | 118.1° | 120.0° |
| C5 | C6 | N2 | HN21 | 180.0° | 180.0° |
| C5 | C6 | N2 | HN22 | 54.7° | 66.2° |
| HC51 | C5 | C6 | N2 | 154.3° | 180.0° |
| HC51 | C5 | C6 | HC61 | 80.4° | 60.1° |
| HC51 | C5 | C6 | HC62 | 29.1° | 59.8° |
| HC52 | C5 | C6 | N2 | 44.9° | 60.1° |
| HC52 | C5 | C6 | HC61 | 170.2° | 179.9° |
| HC52 | C5 | C6 | HC62 | 80.3° | 60.0° |
| N2 | C6 | HC61 | HC62 | 118.1° | 120.1° |
| C6 | N2 | HN21 | HN22 | 125.3° | 113.8° |
| HC61 | C6 | N2 | HN21 | 54.7° | 60.1° |
| HC61 | C6 | N2 | HN22 | 70.6° | 53.7° |
| HC62 | C6 | N2 | HN21 | 54.8° | 59.9° |
| HC62 | C6 | N2 | HN22 | 179.9° | 173.7° |
