NAY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1A | sing | 1.35Å | 1.25Å | |
| C1 | O1B | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.49Å | 1.54Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| C2 | O2 | doub | 1.21Å | 1.25Å | |
| C2 | C3 | sing | 1.51Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C3 | HC31 | sing | 1.09Å | 1.11Å | |
| C3 | HC32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C4 | HC41 | sing | 1.09Å | 1.12Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C5 | N | sing | 1.46Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C5 | HC5 | sing | 1.09Å | 1.11Å | |
| N | C10 | sing | 1.35Å | 1.34Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | O10 | doub | 1.21Å | 1.25Å | |
| 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 | 1.44Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C6 | C7 | sing | 1.53Å | 1.57Å | |
| C6 | HC6 | sing | 1.09Å | 1.11Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | HC7 | sing | 1.09Å | 1.12Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | O8 | sing | 1.43Å | 1.44Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | HC8 | sing | 1.09Å | 1.11Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | O9 | sing | 1.43Å | 1.43Å | |
| C9 | HC91 | sing | 1.09Å | 1.11Å | |
| C9 | HC92 | sing | 1.09Å | 1.11Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 124.9° | 120.0° |
| O1A | C1 | C2 | 114.1° | 120.1° |
| C1 | O1A | HO1A | 125.0° | 120.1° |
| O1B | C1 | C2 | 120.9° | 120.0° |
| C1 | C2 | O2 | 116.9° | 120.0° |
| C1 | C2 | C3 | 117.7° | 120.1° |
| O2 | C2 | C3 | 125.4° | 120.0° |
| C2 | C3 | C4 | 114.5° | 109.6° |
| C2 | C3 | HC31 | 110.4° | 109.5° |
| C2 | C3 | HC32 | 110.4° | 109.4° |
| C4 | C3 | HC31 | 110.4° | 109.5° |
| C4 | C3 | HC32 | 110.4° | 109.5° |
| C3 | C4 | C5 | 112.3° | 109.5° |
| C3 | C4 | HC41 | 111.2° | 109.5° |
| C3 | C4 | HC42 | 111.2° | 109.4° |
| HC31 | C3 | HC32 | 99.9° | 109.4° |
| C5 | C4 | HC41 | 111.1° | 109.5° |
| C5 | C4 | HC42 | 111.1° | 109.5° |
| C4 | C5 | N | 108.3° | 109.5° |
| C4 | C5 | C6 | 114.6° | 109.5° |
| C4 | C5 | HC5 | 106.0° | 109.5° |
| HC41 | C4 | HC42 | 99.1° | 109.4° |
| N | C5 | C6 | 106.7° | 109.5° |
| N | C5 | HC5 | 113.9° | 109.4° |
| C5 | N | C10 | 120.4° | 120.0° |
| C5 | N | HN | 125.4° | 120.0° |
| C6 | C5 | HC5 | 107.6° | 109.4° |
| C5 | C6 | O6 | 105.6° | 109.4° |
| C5 | C6 | C7 | 111.6° | 109.5° |
| C5 | C6 | HC6 | 109.6° | 109.5° |
| C10 | N | HN | 114.2° | 120.0° |
| N | C10 | C11 | 111.0° | 120.1° |
| N | C10 | O10 | 124.9° | 119.9° |
| C11 | C10 | O10 | 124.1° | 120.0° |
| C10 | C11 | H111 | 111.0° | 109.5° |
| C10 | C11 | H112 | 111.7° | 109.5° |
| C10 | C11 | H113 | 111.7° | 109.4° |
| H111 | C11 | H112 | 111.6° | 109.5° |
| H111 | C11 | H113 | 111.6° | 109.5° |
| H112 | C11 | H113 | 98.7° | 109.5° |
| C6 | O6 | HO6 | 105.5° | 106.9° |
| O6 | C6 | C7 | 106.4° | 109.4° |
| O6 | C6 | HC6 | 114.7° | 109.5° |
| C7 | C6 | HC6 | 108.9° | 109.5° |
| C6 | C7 | O7 | 109.0° | 109.5° |
| C6 | C7 | C8 | 110.7° | 109.5° |
| C6 | C7 | HC7 | 109.3° | 109.4° |
| O7 | C7 | C8 | 110.4° | 109.5° |
| O7 | C7 | HC7 | 109.6° | 109.5° |
| C7 | O7 | HO7 | 109.0° | 106.8° |
| C8 | C7 | HC7 | 107.8° | 109.4° |
| C7 | C8 | O8 | 107.7° | 109.5° |
| C7 | C8 | C9 | 113.3° | 109.5° |
| C7 | C8 | HC8 | 108.7° | 109.4° |
| O8 | C8 | C9 | 111.0° | 109.5° |
| O8 | C8 | HC8 | 111.1° | 109.5° |
| C8 | O8 | HO8 | 107.7° | 106.7° |
| C9 | C8 | HC8 | 105.2° | 109.4° |
| C8 | C9 | O9 | 111.1° | 109.5° |
| C8 | C9 | HC91 | 111.7° | 109.5° |
| C8 | C9 | HC92 | 111.6° | 109.4° |
| O9 | C9 | HC91 | 111.6° | 109.5° |
| O9 | C9 | HC92 | 111.6° | 109.5° |
| C9 | O9 | HO9 | 111.1° | 106.8° |
| HC91 | C9 | HC92 | 98.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 179.9° | 179.9° |
| O1A | C1 | C2 | O2 | 20.2° | 0.0° |
| O1A | C1 | C2 | C3 | 159.6° | 180.0° |
| O1B | C1 | O1A | HO1A | 180.0° | 0.0° |
| O1B | C1 | C2 | O2 | 159.7° | 179.9° |
| O1B | C1 | C2 | C3 | 20.5° | 0.0° |
| C2 | C1 | O1A | HO1A | 0.2° | 180.0° |
| C1 | C2 | O2 | C3 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 120.7° | 180.0° |
| C1 | C2 | C3 | HC31 | 114.1° | 59.9° |
| C1 | C2 | C3 | HC32 | 4.5° | 60.0° |
| O2 | C2 | C3 | C4 | 59.1° | 0.0° |
| O2 | C2 | C3 | HC31 | 66.1° | 120.1° |
| O2 | C2 | C3 | HC32 | 175.6° | 120.0° |
| C2 | C3 | C4 | HC31 | 125.3° | 120.0° |
| C2 | C3 | C4 | HC32 | 125.3° | 120.0° |
| C2 | C3 | HC31 | HC32 | 116.3° | 119.9° |
| C2 | C3 | C4 | C5 | 126.4° | 180.0° |
| C2 | C3 | C4 | HC41 | 1.2° | 60.0° |
| C2 | C3 | C4 | HC42 | 108.3° | 59.9° |
| C4 | C3 | HC31 | HC32 | 116.2° | 120.0° |
| C3 | C4 | C5 | HC41 | 125.3° | 120.0° |
| C3 | C4 | C5 | HC42 | 125.3° | 120.0° |
| C3 | C4 | HC41 | HC42 | 117.1° | 119.9° |
| C3 | C4 | C5 | N | 123.5° | 60.0° |
| C3 | C4 | C5 | C6 | 117.5° | 180.0° |
| C3 | C4 | C5 | HC5 | 0.9° | 60.0° |
| HC31 | C3 | C4 | C5 | 108.3° | 60.0° |
| HC31 | C3 | C4 | HC41 | 126.4° | 180.0° |
| HC31 | C3 | C4 | HC42 | 17.0° | 60.1° |
| HC32 | C3 | C4 | C5 | 1.2° | 60.0° |
| HC32 | C3 | C4 | HC41 | 124.1° | 60.0° |
| HC32 | C3 | C4 | HC42 | 126.4° | 179.9° |
| C5 | C4 | HC41 | HC42 | 117.0° | 120.0° |
| C4 | C5 | N | C6 | 123.8° | 120.1° |
| C4 | C5 | N | HC5 | 117.6° | 120.0° |
| C4 | C5 | C6 | HC5 | 117.5° | 120.1° |
| C4 | C5 | N | C10 | 147.9° | 60.0° |
| C4 | C5 | N | HN | 32.1° | 120.1° |
| C4 | C5 | C6 | O6 | 65.2° | 60.0° |
| C4 | C5 | C6 | C7 | 179.6° | 180.0° |
| C4 | C5 | C6 | HC6 | 58.9° | 60.0° |
| HC41 | C4 | C5 | N | 1.8° | 180.0° |
| HC41 | C4 | C5 | C6 | 117.2° | 60.0° |
| HC41 | C4 | C5 | HC5 | 124.3° | 60.0° |
| HC42 | C4 | C5 | N | 111.2° | 60.0° |
| HC42 | C4 | C5 | C6 | 7.8° | 60.0° |
| HC42 | C4 | C5 | HC5 | 126.3° | 180.0° |
| N | C5 | C6 | HC5 | 122.6° | 119.9° |
| C5 | N | C10 | HN | 180.0° | 179.9° |
| C5 | N | C10 | C11 | 169.6° | 180.0° |
| C5 | N | C10 | O10 | 11.5° | 0.0° |
| N | C5 | C6 | O6 | 174.9° | 180.0° |
| N | C5 | C6 | C7 | 59.7° | 60.0° |
| N | C5 | C6 | HC6 | 61.0° | 60.1° |
| C6 | C5 | N | C10 | 88.3° | 60.0° |
| C6 | C5 | N | HN | 91.7° | 119.8° |
| C5 | C6 | O6 | C7 | 118.8° | 120.0° |
| C5 | C6 | O6 | HC6 | 120.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 60.0° |
| C5 | C6 | C7 | HC6 | 121.2° | 120.1° |
| C5 | C6 | C7 | O7 | 51.6° | 60.0° |
| C5 | C6 | C7 | C8 | 173.2° | 180.0° |
| C5 | C6 | C7 | HC7 | 68.1° | 60.0° |
| HC5 | C5 | N | C10 | 30.2° | 180.0° |
| HC5 | C5 | N | HN | 149.7° | 0.1° |
| HC5 | C5 | C6 | O6 | 52.4° | 60.0° |
| HC5 | C5 | C6 | C7 | 62.9° | 59.9° |
| HC5 | C5 | C6 | HC6 | 176.4° | 180.0° |
| N | C10 | C11 | O10 | 178.9° | 180.0° |
| N | C10 | C11 | H111 | 180.0° | 180.0° |
| N | C10 | C11 | H112 | 54.7° | 60.0° |
| N | C10 | C11 | H113 | 54.7° | 60.0° |
| HN | N | C10 | C11 | 10.4° | 0.1° |
| HN | N | C10 | O10 | 168.5° | 179.9° |
| C10 | C11 | H111 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H113 | 125.3° | 120.0° |
| C10 | C11 | H112 | H113 | 117.6° | 119.9° |
| O10 | C10 | C11 | H111 | 1.1° | 0.0° |
| O10 | C10 | C11 | H112 | 126.4° | 120.0° |
| O10 | C10 | C11 | H113 | 124.1° | 120.0° |
| H111 | C11 | H112 | H113 | 117.5° | 120.1° |
| O6 | C6 | C7 | HC6 | 124.1° | 119.9° |
| O6 | C6 | C7 | O7 | 63.1° | 60.0° |
| O6 | C6 | C7 | C8 | 58.5° | 60.0° |
| O6 | C6 | C7 | HC7 | 177.1° | 180.0° |
| HO6 | O6 | C6 | C7 | 61.2° | 60.0° |
| HO6 | O6 | C6 | HC6 | 59.2° | 180.0° |
| C6 | C7 | O7 | C8 | 121.7° | 120.1° |
| C6 | C7 | O7 | HC7 | 119.6° | 119.9° |
| C6 | C7 | C8 | HC7 | 119.5° | 120.0° |
| C6 | C7 | O7 | HO7 | 179.9° | 60.1° |
| C6 | C7 | C8 | O8 | 49.0° | 59.9° |
| C6 | C7 | C8 | C9 | 172.1° | 180.0° |
| C6 | C7 | C8 | HC8 | 71.4° | 60.1° |
| HC6 | C6 | C7 | O7 | 172.8° | 180.0° |
| HC6 | C6 | C7 | C8 | 65.6° | 59.9° |
| HC6 | C6 | C7 | HC7 | 53.1° | 60.1° |
| O7 | C7 | C8 | HC7 | 119.7° | 120.0° |
| O7 | C7 | C8 | O8 | 169.7° | 179.9° |
| O7 | C7 | C8 | C9 | 67.2° | 60.0° |
| O7 | C7 | C8 | HC8 | 49.3° | 60.0° |
| C8 | C7 | O7 | HO7 | 58.3° | 60.0° |
| C7 | C8 | O8 | C9 | 124.5° | 120.1° |
| C7 | C8 | O8 | HC8 | 118.9° | 120.0° |
| C7 | C8 | C9 | HC8 | 118.5° | 119.9° |
| C7 | C8 | O8 | HO8 | 179.9° | 60.1° |
| C7 | C8 | C9 | O9 | 65.6° | 180.0° |
| C7 | C8 | C9 | HC91 | 169.2° | 60.0° |
| C7 | C8 | C9 | HC92 | 59.7° | 60.0° |
| HC7 | C7 | O7 | HO7 | 60.4° | 180.0° |
| HC7 | C7 | C8 | O8 | 70.6° | 60.0° |
| HC7 | C7 | C8 | C9 | 52.5° | 60.0° |
| HC7 | C7 | C8 | HC8 | 169.0° | 180.0° |
| O8 | C8 | C9 | HC8 | 120.2° | 120.0° |
| O8 | C8 | C9 | O9 | 55.6° | 60.0° |
| O8 | C8 | C9 | HC91 | 69.6° | 180.0° |
| O8 | C8 | C9 | HC92 | 179.1° | 60.0° |
| C9 | C8 | O8 | HO8 | 55.5° | 60.0° |
| C8 | C9 | O9 | HC91 | 125.3° | 120.0° |
| C8 | C9 | O9 | HC92 | 125.3° | 120.0° |
| C8 | C9 | HC91 | HC92 | 117.6° | 120.0° |
| C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
| HC8 | C8 | O8 | HO8 | 61.2° | 180.0° |
| HC8 | C8 | C9 | O9 | 175.9° | 60.0° |
| HC8 | C8 | C9 | HC91 | 50.6° | 60.0° |
| HC8 | C8 | C9 | HC92 | 58.9° | 180.0° |
| O9 | C9 | HC91 | HC92 | 117.5° | 120.0° |
| HC91 | C9 | O9 | HO9 | 54.7° | 60.0° |
| HC92 | C9 | O9 | HO9 | 54.7° | 60.0° |
