EEN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| O5 | C1 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | N2 | sing | 1.47Å | 1.47Å | |
| O7 | C7 | doub | 1.21Å | 1.23Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | F20 | sing | 1.40Å | 1.39Å | |
| C8 | F23 | sing | 1.40Å | 1.39Å | |
| C1 | O1 | sing | 1.43Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 109.5° | 109.5° |
| O6 | C6 | H61 | 109.4° | 109.5° |
| O6 | C6 | H62 | 109.4° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 113.9° |
| C6 | C5 | O5 | 109.5° | 109.4° |
| C6 | C5 | C4 | 109.5° | 109.5° |
| C6 | C5 | H5 | 108.9° | 109.5° |
| C5 | C6 | H61 | 109.4° | 109.4° |
| C5 | C6 | H62 | 109.5° | 109.4° |
| O4 | C4 | C5 | 109.5° | 109.5° |
| O4 | C4 | C3 | 109.5° | 109.5° |
| O4 | C4 | H4 | 110.2° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | O5 | C1 | 109.5° | 114.1° |
| O5 | C5 | C4 | 109.6° | 109.4° |
| O5 | C5 | H5 | 110.3° | 109.4° |
| O5 | C1 | C2 | 109.4° | 109.4° |
| O5 | C1 | O1 | 115.4° | 109.5° |
| O5 | C1 | H1 | 109.2° | 109.5° |
| C5 | C4 | C3 | 109.6° | 109.2° |
| C4 | C5 | H5 | 109.1° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C4 | C3 | C2 | 109.4° | 109.0° |
| C4 | C3 | O3 | 109.5° | 109.6° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| C4 | C3 | H3 | 109.0° | 109.6° |
| C1 | C2 | C3 | 109.5° | 109.2° |
| C1 | C2 | N2 | 109.5° | 109.5° |
| C2 | C1 | O1 | 106.4° | 109.5° |
| C1 | C2 | H2 | 109.2° | 109.5° |
| C2 | C1 | H1 | 108.0° | 109.5° |
| C3 | C2 | N2 | 109.5° | 109.6° |
| C2 | C3 | O3 | 109.5° | 109.5° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C2 | C3 | H3 | 109.0° | 109.6° |
| C2 | N2 | C7 | 122.0° | 120.0° |
| C2 | N2 | HN2 | 119.0° | 119.9° |
| N2 | C2 | H2 | 109.9° | 109.5° |
| O7 | C7 | N2 | 124.0° | 120.0° |
| O7 | C7 | C8 | 121.0° | 120.0° |
| O3 | C3 | H3 | 110.3° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| N2 | C7 | C8 | 115.0° | 120.0° |
| C7 | N2 | HN2 | 119.0° | 120.1° |
| C7 | C8 | F20 | 109.5° | 109.5° |
| C7 | C8 | F23 | 109.5° | 109.4° |
| C7 | C8 | H81 | 108.1° | 109.5° |
| F20 | C8 | F23 | 109.5° | 109.5° |
| F20 | C8 | H81 | 110.1° | 109.5° |
| F23 | C8 | H81 | 110.1° | 109.5° |
| O1 | C1 | H1 | 108.1° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 120.0° | 120.0° |
| O6 | C6 | C5 | H62 | 120.0° | 120.0° |
| O6 | C6 | C5 | O5 | 52.1° | 65.0° |
| O6 | C6 | C5 | C4 | 172.2° | 175.1° |
| O6 | C6 | C5 | H5 | 68.6° | 55.0° |
| O6 | C6 | H61 | H62 | 120.0° | 120.1° |
| C6 | C5 | C4 | O4 | 59.5° | 57.7° |
| C6 | C5 | O5 | C4 | 120.1° | 120.0° |
| C6 | C5 | O5 | H5 | 119.8° | 120.0° |
| C6 | C5 | O5 | C1 | 174.7° | 178.8° |
| C6 | C5 | C4 | H5 | 119.1° | 120.1° |
| C6 | C5 | C4 | C3 | 179.5° | 177.6° |
| C5 | C6 | H61 | H62 | 120.0° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 61.2° | 62.6° |
| O4 | C4 | C5 | O5 | 60.6° | 62.3° |
| O4 | C4 | C5 | C3 | 120.1° | 119.9° |
| O4 | C4 | C5 | H4 | 120.7° | 120.3° |
| O4 | C4 | C3 | H4 | 120.6° | 120.2° |
| O4 | C4 | C3 | C2 | 65.9° | 62.9° |
| O4 | C4 | C3 | O3 | 54.2° | 57.0° |
| O4 | C4 | C5 | H5 | 178.6° | 177.8° |
| O4 | C4 | C3 | H3 | 174.9° | 177.2° |
| O5 | C5 | C4 | H5 | 120.8° | 120.0° |
| O5 | C5 | C4 | C3 | 59.4° | 57.6° |
| C5 | O5 | C1 | C2 | 65.4° | 61.1° |
| C5 | O5 | C1 | O1 | 54.6° | 58.8° |
| C5 | O5 | C1 | H1 | 176.6° | 178.9° |
| O5 | C5 | C6 | H61 | 67.9° | 175.0° |
| O5 | C5 | C6 | H62 | 172.1° | 55.0° |
| O5 | C5 | C4 | H4 | 178.7° | 177.5° |
| C1 | O5 | C5 | C4 | 65.2° | 61.2° |
| O5 | C1 | C2 | O1 | 125.4° | 119.9° |
| O5 | C1 | C2 | H1 | 118.8° | 120.0° |
| O5 | C1 | C2 | C3 | 59.8° | 57.6° |
| O5 | C1 | C2 | N2 | 179.8° | 177.5° |
| O5 | C1 | O1 | H1 | 122.6° | 120.1° |
| O5 | C1 | C2 | H2 | 59.7° | 62.4° |
| C1 | O5 | C5 | H5 | 54.9° | 58.9° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.1° |
| C5 | C4 | C3 | H4 | 119.3° | 119.8° |
| C5 | C4 | C3 | C2 | 54.2° | 57.0° |
| C5 | C4 | C3 | O3 | 174.3° | 176.9° |
| C4 | C5 | C6 | H61 | 52.2° | 55.1° |
| C4 | C5 | C6 | H62 | 67.8° | 64.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C5 | C4 | C3 | H3 | 65.0° | 62.9° |
| C4 | C3 | C2 | C1 | 54.4° | 57.0° |
| C4 | C3 | C2 | O3 | 120.1° | 119.9° |
| C4 | C3 | C2 | H3 | 119.2° | 119.9° |
| C4 | C3 | C2 | N2 | 174.4° | 176.9° |
| C4 | C3 | O3 | H3 | 120.0° | 120.2° |
| C4 | C3 | C2 | H2 | 65.2° | 63.0° |
| C3 | C4 | C5 | H5 | 61.4° | 62.3° |
| C3 | C4 | O4 | HO4 | 59.9° | 179.7° |
| C4 | C3 | O3 | HO3 | 180.0° | 60.4° |
| C1 | C2 | C3 | N2 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2 | 119.5° | 120.0° |
| C1 | C2 | N2 | H2 | 120.0° | 120.1° |
| C1 | C2 | C3 | O3 | 174.5° | 176.9° |
| C1 | C2 | N2 | C7 | 109.2° | 85.3° |
| C2 | C1 | O1 | H1 | 115.8° | 120.0° |
| C1 | C2 | N2 | HN2 | 70.8° | 94.8° |
| C1 | C2 | C3 | H3 | 64.8° | 62.9° |
| C2 | C1 | O1 | HO1 | 58.4° | 180.0° |
| C3 | C2 | N2 | H2 | 120.0° | 120.1° |
| C2 | C3 | O3 | H3 | 120.0° | 120.2° |
| C3 | C2 | N2 | C7 | 130.8° | 155.0° |
| C3 | C2 | C1 | O1 | 65.6° | 62.4° |
| C3 | C2 | N2 | HN2 | 49.2° | 25.0° |
| C3 | C2 | C1 | H1 | 178.6° | 177.6° |
| C2 | C3 | C4 | H4 | 173.5° | 176.9° |
| C2 | C3 | O3 | HO3 | 60.0° | 180.0° |
| C2 | N2 | C7 | O7 | 0.1° | 0.1° |
| N2 | C2 | C3 | O3 | 65.5° | 63.2° |
| C2 | N2 | C7 | HN2 | 180.0° | 179.9° |
| C2 | N2 | C7 | C8 | 180.0° | 180.0° |
| N2 | C2 | C1 | O1 | 54.5° | 57.6° |
| N2 | C2 | C1 | H1 | 61.4° | 62.4° |
| N2 | C2 | C3 | H3 | 55.2° | 57.0° |
| O7 | C7 | N2 | C8 | 180.0° | 179.9° |
| O7 | C7 | C8 | F20 | 108.4° | 125.0° |
| O7 | C7 | C8 | F23 | 131.5° | 5.0° |
| O7 | C7 | C8 | H81 | 11.6° | 115.0° |
| O7 | C7 | N2 | HN2 | 179.9° | 180.0° |
| O3 | C3 | C2 | H2 | 54.9° | 56.9° |
| O3 | C3 | C4 | H4 | 66.5° | 63.3° |
| N2 | C7 | C8 | F20 | 71.6° | 55.0° |
| N2 | C7 | C8 | F23 | 48.5° | 174.9° |
| N2 | C7 | C8 | H81 | 168.5° | 65.1° |
| C7 | N2 | C2 | H2 | 10.8° | 34.8° |
| C7 | C8 | F20 | F23 | 120.1° | 119.9° |
| C7 | C8 | F20 | H81 | 118.8° | 120.0° |
| C7 | C8 | F23 | H81 | 118.7° | 120.0° |
| C8 | C7 | N2 | HN2 | 0.1° | 0.1° |
| F20 | C8 | F23 | H81 | 121.1° | 120.1° |
| O1 | C1 | C2 | H2 | 174.9° | 177.7° |
| HN2 | N2 | C2 | H2 | 169.2° | 145.1° |
| H2 | C2 | C1 | H1 | 59.0° | 57.6° |
| H2 | C2 | C3 | H3 | 175.6° | 177.2° |
| H1 | C1 | O1 | HO1 | 57.5° | 60.0° |
| H5 | C5 | C6 | H61 | 171.4° | 65.1° |
| H5 | C5 | C6 | H62 | 51.4° | 175.0° |
| H5 | C5 | C4 | H4 | 57.9° | 57.5° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H4 | C4 | O4 | HO4 | 60.0° | 60.1° |
| H4 | C4 | C3 | H3 | 54.3° | 57.0° |
| H3 | C3 | O3 | HO3 | 60.0° | 59.8° |
