NAV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1A | sing | 1.34Å | 1.25Å | |
| C1 | O1B | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.43Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | HC21 | sing | 1.09Å | 1.12Å | |
| C2 | HC22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.51Å | 1.48Å | |
| C3 | HC31 | sing | 1.09Å | 1.11Å | |
| C3 | HC32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C4 | O4 | doub | 1.21Å | 1.25Å | |
| C5 | N2 | sing | 1.46Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | HC5 | sing | 1.09Å | 1.11Å | |
| N2 | C10 | sing | 1.35Å | 1.38Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | O10 | doub | 1.21Å | 1.27Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.12Å | |
| O6 | C6 | sing | 1.43Å | 1.45Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C6 | HC6 | sing | 1.09Å | 1.11Å | |
| C7 | O7 | sing | 1.43Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | HC7 | sing | 1.09Å | 1.12Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | O8 | sing | 1.43Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | HC8 | sing | 1.09Å | 1.11Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | O9 | sing | 1.43Å | 1.45Å | |
| C9 | HC91 | sing | 1.09Å | 1.11Å | |
| C9 | HC92 | sing | 1.09Å | 1.12Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 122.6° | 120.0° |
| O1A | C1 | C2 | 120.4° | 119.9° |
| C1 | O1A | HO1A | 122.6° | 120.0° |
| O1B | C1 | C2 | 117.0° | 120.1° |
| C1 | C2 | C3 | 110.1° | 109.4° |
| C1 | C2 | HC21 | 112.0° | 109.5° |
| C1 | C2 | HC22 | 112.0° | 109.5° |
| C3 | C2 | HC21 | 112.0° | 109.4° |
| C3 | C2 | HC22 | 112.0° | 109.4° |
| C2 | C3 | C4 | 137.7° | 109.5° |
| C2 | C3 | HC31 | 102.6° | 109.4° |
| C2 | C3 | HC32 | 102.6° | 109.5° |
| HC21 | C2 | HC22 | 98.4° | 109.6° |
| C4 | C3 | HC31 | 102.6° | 109.5° |
| C4 | C3 | HC32 | 102.6° | 109.5° |
| C3 | C4 | C5 | 115.9° | 120.0° |
| C3 | C4 | O4 | 121.8° | 120.0° |
| HC31 | C3 | HC32 | 105.6° | 109.5° |
| C5 | C4 | O4 | 122.2° | 120.0° |
| C4 | C5 | N2 | 108.5° | 109.5° |
| C4 | C5 | C6 | 111.3° | 109.5° |
| C4 | C5 | HC5 | 110.0° | 109.5° |
| N2 | C5 | C6 | 112.6° | 109.5° |
| N2 | C5 | HC5 | 108.7° | 109.4° |
| C5 | N2 | C10 | 123.4° | 120.0° |
| C5 | N2 | HN2 | 122.0° | 120.1° |
| C6 | C5 | HC5 | 105.7° | 109.5° |
| C5 | C6 | O6 | 106.4° | 109.5° |
| C5 | C6 | C7 | 110.0° | 109.5° |
| C5 | C6 | HC6 | 110.3° | 109.5° |
| C10 | N2 | HN2 | 114.6° | 120.0° |
| N2 | C10 | C11 | 120.0° | 120.0° |
| N2 | C10 | O10 | 122.4° | 120.0° |
| C11 | C10 | O10 | 117.6° | 120.0° |
| C10 | C11 | H111 | 120.0° | 109.5° |
| C10 | C11 | H112 | 108.5° | 109.5° |
| C10 | C11 | H113 | 108.5° | 109.5° |
| H111 | C11 | H112 | 108.4° | 109.5° |
| H111 | C11 | H113 | 108.4° | 109.5° |
| H112 | C11 | H113 | 101.5° | 109.5° |
| C6 | O6 | HO6 | 106.3° | 106.8° |
| O6 | C6 | C7 | 106.8° | 109.5° |
| O6 | C6 | HC6 | 113.3° | 109.4° |
| C7 | C6 | HC6 | 109.9° | 109.4° |
| C6 | C7 | O7 | 109.2° | 109.4° |
| C6 | C7 | C8 | 109.2° | 109.5° |
| C6 | C7 | HC7 | 111.2° | 109.5° |
| O7 | C7 | C8 | 113.2° | 109.5° |
| O7 | C7 | HC7 | 107.0° | 109.5° |
| C7 | O7 | HO7 | 109.2° | 106.8° |
| C8 | C7 | HC7 | 107.0° | 109.4° |
| C7 | C8 | O8 | 109.2° | 109.5° |
| C7 | C8 | C9 | 113.4° | 109.5° |
| C7 | C8 | HC8 | 106.8° | 109.5° |
| O8 | C8 | C9 | 108.9° | 109.4° |
| O8 | C8 | HC8 | 111.5° | 109.5° |
| C8 | O8 | HO8 | 109.2° | 106.7° |
| C9 | C8 | HC8 | 107.0° | 109.4° |
| C8 | C9 | O9 | 108.8° | 109.5° |
| C8 | C9 | HC91 | 112.5° | 109.5° |
| C8 | C9 | HC92 | 112.5° | 109.5° |
| O9 | C9 | HC91 | 112.4° | 109.4° |
| O9 | C9 | HC92 | 112.4° | 109.5° |
| C9 | O9 | HO9 | 108.8° | 106.8° |
| HC91 | C9 | HC92 | 98.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 176.4° | 180.0° |
| O1A | C1 | C2 | C3 | 139.8° | 180.0° |
| O1A | C1 | C2 | HC21 | 14.6° | 60.1° |
| O1A | C1 | C2 | HC22 | 94.9° | 60.1° |
| O1B | C1 | O1A | HO1A | 180.0° | 0.1° |
| O1B | C1 | C2 | C3 | 36.7° | 0.0° |
| O1B | C1 | C2 | HC21 | 161.9° | 119.9° |
| O1B | C1 | C2 | HC22 | 88.6° | 120.0° |
| C2 | C1 | O1A | HO1A | 3.6° | 180.0° |
| C1 | C2 | C3 | HC21 | 125.3° | 119.9° |
| C1 | C2 | C3 | HC22 | 125.3° | 120.0° |
| C1 | C2 | HC21 | HC22 | 117.9° | 120.1° |
| C1 | C2 | C3 | C4 | 179.7° | 180.0° |
| C1 | C2 | C3 | HC31 | 55.0° | 60.0° |
| C1 | C2 | C3 | HC32 | 54.5° | 60.0° |
| C3 | C2 | HC21 | HC22 | 117.9° | 120.0° |
| C2 | C3 | C4 | HC31 | 125.3° | 120.0° |
| C2 | C3 | C4 | HC32 | 125.3° | 120.1° |
| C2 | C3 | HC31 | HC32 | 107.1° | 120.0° |
| C2 | C3 | C4 | C5 | 171.5° | 180.0° |
| C2 | C3 | C4 | O4 | 5.3° | 0.0° |
| HC21 | C2 | C3 | C4 | 54.5° | 60.1° |
| HC21 | C2 | C3 | HC31 | 179.8° | 179.9° |
| HC21 | C2 | C3 | HC32 | 70.8° | 60.0° |
| HC22 | C2 | C3 | C4 | 55.0° | 60.0° |
| HC22 | C2 | C3 | HC31 | 70.3° | 60.0° |
| HC22 | C2 | C3 | HC32 | 179.8° | 180.0° |
| C4 | C3 | HC31 | HC32 | 107.1° | 120.0° |
| C3 | C4 | C5 | O4 | 176.9° | 180.0° |
| C3 | C4 | C5 | N2 | 84.8° | 150.0° |
| C3 | C4 | C5 | C6 | 150.8° | 90.0° |
| C3 | C4 | C5 | HC5 | 33.9° | 30.0° |
| HC31 | C3 | C4 | C5 | 63.2° | 60.0° |
| HC31 | C3 | C4 | O4 | 120.0° | 120.0° |
| HC32 | C3 | C4 | C5 | 46.3° | 60.0° |
| HC32 | C3 | C4 | O4 | 130.6° | 120.0° |
| C4 | C5 | N2 | C6 | 123.6° | 120.0° |
| C4 | C5 | N2 | HC5 | 119.6° | 120.0° |
| C4 | C5 | C6 | HC5 | 119.4° | 120.0° |
| C4 | C5 | N2 | C10 | 159.7° | 60.0° |
| C4 | C5 | N2 | HN2 | 20.3° | 120.0° |
| C4 | C5 | C6 | O6 | 56.8° | 60.0° |
| C4 | C5 | C6 | C7 | 172.1° | 180.0° |
| C4 | C5 | C6 | HC6 | 66.5° | 60.0° |
| O4 | C4 | C5 | N2 | 92.0° | 30.0° |
| O4 | C4 | C5 | C6 | 32.4° | 90.0° |
| O4 | C4 | C5 | HC5 | 149.2° | 150.0° |
| N2 | C5 | C6 | HC5 | 118.5° | 120.0° |
| C5 | N2 | C10 | HN2 | 180.0° | 180.0° |
| C5 | N2 | C10 | C11 | 170.9° | 180.0° |
| C5 | N2 | C10 | O10 | 8.5° | 0.0° |
| N2 | C5 | C6 | O6 | 178.9° | 180.0° |
| N2 | C5 | C6 | C7 | 65.8° | 60.0° |
| N2 | C5 | C6 | HC6 | 55.5° | 60.0° |
| C6 | C5 | N2 | C10 | 76.7° | 60.0° |
| C6 | C5 | N2 | HN2 | 103.3° | 120.0° |
| C5 | C6 | O6 | C7 | 117.5° | 120.0° |
| C5 | C6 | O6 | HC6 | 121.4° | 120.1° |
| C5 | C6 | O6 | HO6 | 180.0° | 60.0° |
| C5 | C6 | C7 | HC6 | 121.6° | 120.1° |
| C5 | C6 | C7 | O7 | 51.0° | 60.0° |
| C5 | C6 | C7 | C8 | 175.2° | 180.0° |
| C5 | C6 | C7 | HC7 | 66.9° | 60.0° |
| HC5 | C5 | N2 | C10 | 40.1° | 180.0° |
| HC5 | C5 | N2 | HN2 | 139.9° | 0.0° |
| HC5 | C5 | C6 | O6 | 62.6° | 60.0° |
| HC5 | C5 | C6 | C7 | 52.7° | 60.0° |
| HC5 | C5 | C6 | HC6 | 174.1° | 180.0° |
| N2 | C10 | C11 | O10 | 179.4° | 180.0° |
| N2 | C10 | C11 | H111 | 180.0° | 180.0° |
| N2 | C10 | C11 | H112 | 54.8° | 60.0° |
| N2 | C10 | C11 | H113 | 54.7° | 60.0° |
| HN2 | N2 | C10 | C11 | 9.1° | 0.0° |
| HN2 | N2 | C10 | O10 | 171.6° | 180.0° |
| C10 | C11 | H111 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H113 | 125.3° | 120.0° |
| C10 | C11 | H112 | H113 | 114.2° | 120.0° |
| O10 | C10 | C11 | H111 | 0.6° | 0.0° |
| O10 | C10 | C11 | H112 | 125.9° | 120.0° |
| O10 | C10 | C11 | H113 | 124.7° | 120.0° |
| H111 | C11 | H112 | H113 | 114.0° | 120.0° |
| O6 | C6 | C7 | HC6 | 123.3° | 119.9° |
| O6 | C6 | C7 | O7 | 64.1° | 60.0° |
| O6 | C6 | C7 | C8 | 60.2° | 60.0° |
| O6 | C6 | C7 | HC7 | 178.0° | 180.0° |
| HO6 | O6 | C6 | C7 | 62.6° | 60.0° |
| HO6 | O6 | C6 | HC6 | 58.6° | 179.9° |
| C6 | C7 | O7 | C8 | 121.9° | 120.0° |
| C6 | C7 | O7 | HC7 | 120.5° | 120.0° |
| C6 | C7 | C8 | HC7 | 120.5° | 120.0° |
| C6 | C7 | O7 | HO7 | 180.0° | 60.0° |
| C6 | C7 | C8 | O8 | 45.8° | 60.0° |
| C6 | C7 | C8 | C9 | 167.5° | 180.0° |
| C6 | C7 | C8 | HC8 | 74.8° | 60.0° |
| HC6 | C6 | C7 | O7 | 172.6° | 179.9° |
| HC6 | C6 | C7 | C8 | 63.2° | 59.9° |
| HC6 | C6 | C7 | HC7 | 54.7° | 60.0° |
| O7 | C7 | C8 | HC7 | 117.7° | 120.0° |
| O7 | C7 | C8 | O8 | 167.7° | 180.0° |
| O7 | C7 | C8 | C9 | 70.6° | 60.0° |
| O7 | C7 | C8 | HC8 | 47.0° | 59.9° |
| C8 | C7 | O7 | HO7 | 58.2° | 60.0° |
| C7 | C8 | O8 | C9 | 124.4° | 120.0° |
| C7 | C8 | O8 | HC8 | 117.8° | 120.0° |
| C7 | C8 | C9 | HC8 | 117.5° | 120.0° |
| C7 | C8 | O8 | HO8 | 180.0° | 60.0° |
| C7 | C8 | C9 | O9 | 70.1° | 180.0° |
| C7 | C8 | C9 | HC91 | 164.7° | 60.0° |
| C7 | C8 | C9 | HC92 | 55.1° | 60.0° |
| HC7 | C7 | O7 | HO7 | 59.5° | 180.0° |
| HC7 | C7 | C8 | O8 | 74.6° | 60.0° |
| HC7 | C7 | C8 | C9 | 47.1° | 60.0° |
| HC7 | C7 | C8 | HC8 | 164.7° | 180.0° |
| O8 | C8 | C9 | HC8 | 120.6° | 120.0° |
| O8 | C8 | C9 | O9 | 51.7° | 60.0° |
| O8 | C8 | C9 | HC91 | 73.5° | 180.0° |
| O8 | C8 | C9 | HC92 | 176.9° | 60.0° |
| C9 | C8 | O8 | HO8 | 55.6° | 60.0° |
| C8 | C9 | O9 | HC91 | 125.3° | 120.0° |
| C8 | C9 | O9 | HC92 | 125.3° | 120.1° |
| C8 | C9 | HC91 | HC92 | 118.5° | 120.0° |
| C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
| HC8 | C8 | O8 | HO8 | 62.3° | 180.0° |
| HC8 | C8 | C9 | O9 | 172.4° | 60.0° |
| HC8 | C8 | C9 | HC91 | 47.1° | 60.0° |
| HC8 | C8 | C9 | HC92 | 62.4° | 180.0° |
| O9 | C9 | HC91 | HC92 | 118.3° | 120.0° |
| HC91 | C9 | O9 | HO9 | 54.7° | 60.0° |
| HC92 | C9 | O9 | HO9 | 54.7° | 60.0° |
