4NN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C1 | C2 | sing | 1.48Å | 1.37Å | |
| C1 | O5 | sing | 1.36Å | 1.33Å | |
| C2 | N2 | sing | 1.40Å | 1.37Å | |
| C2 | C3 | doub | 1.33Å | 1.40Å | |
| N2 | C7 | sing | 1.35Å | 1.33Å | |
| C3 | C4 | sing | 1.50Å | 1.55Å | |
| C4 | O4 | sing | 1.43Å | 1.39Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C5 | O5 | sing | 1.46Å | 1.40Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.39Å | |
| C7 | O7 | doub | 1.21Å | 1.21Å | |
| C7 | C8 | sing | 1.51Å | 1.55Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 117.6° | 121.3° |
| O1 | C1 | O5 | 118.1° | 121.3° |
| C2 | C1 | O5 | 123.8° | 117.5° |
| C1 | C2 | N2 | 117.4° | 120.1° |
| C1 | C2 | C3 | 116.3° | 119.8° |
| C1 | O5 | C5 | 118.2° | 114.4° |
| N2 | C2 | C3 | 126.3° | 120.1° |
| C2 | N2 | C7 | 123.2° | 120.0° |
| C2 | N2 | HN2 | 118.4° | 120.0° |
| C2 | C3 | C4 | 120.6° | 121.7° |
| C2 | C3 | H3 | 119.7° | 119.1° |
| N2 | C7 | O7 | 122.4° | 120.0° |
| N2 | C7 | C8 | 117.4° | 120.0° |
| C7 | N2 | HN2 | 118.4° | 120.0° |
| C3 | C4 | O4 | 116.7° | 109.3° |
| C3 | C4 | C5 | 110.2° | 110.4° |
| C4 | C3 | H3 | 119.7° | 119.2° |
| C3 | C4 | H4 | 102.8° | 109.3° |
| O4 | C4 | C5 | 106.2° | 109.4° |
| O4 | C4 | H4 | 107.1° | 109.3° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | O5 | 106.9° | 108.9° |
| C4 | C5 | C6 | 117.4° | 109.6° |
| C5 | C4 | H4 | 114.0° | 109.2° |
| C4 | C5 | H5 | 108.7° | 109.6° |
| O5 | C5 | C6 | 116.5° | 109.4° |
| O5 | C5 | H5 | 109.8° | 109.6° |
| C5 | C6 | O6 | 110.2° | 109.5° |
| C6 | C5 | H5 | 96.9° | 109.7° |
| C5 | C6 | H6 | 109.2° | 109.5° |
| C5 | C6 | H6A | 109.2° | 109.5° |
| O6 | C6 | H6 | 109.2° | 109.5° |
| O6 | C6 | H6A | 109.3° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O7 | C7 | C8 | 120.1° | 120.0° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H8A | 109.5° | 109.5° |
| C7 | C8 | H8B | 109.5° | 109.5° |
| H6 | C6 | H6A | 109.7° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.4° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 172.2° | 179.7° |
| O1 | C1 | C2 | N2 | 4.5° | 9.4° |
| O1 | C1 | C2 | C3 | 173.0° | 170.6° |
| O1 | C1 | O5 | C5 | 152.9° | 139.3° |
| C1 | C2 | N2 | C3 | 177.1° | 180.0° |
| C1 | C2 | N2 | C7 | 177.2° | 58.4° |
| C1 | C2 | C3 | C4 | 4.7° | 0.4° |
| C2 | C1 | O5 | C5 | 35.0° | 40.4° |
| C1 | C2 | N2 | HN2 | 2.9° | 121.7° |
| C1 | C2 | C3 | H3 | 175.3° | 179.7° |
| O5 | C1 | C2 | N2 | 176.7° | 170.9° |
| O5 | C1 | C2 | C3 | 0.8° | 9.1° |
| C1 | O5 | C5 | C4 | 56.4° | 60.5° |
| C1 | O5 | C5 | C6 | 77.1° | 59.3° |
| C1 | O5 | C5 | H5 | 174.1° | 179.6° |
| C2 | N2 | C7 | HN2 | 180.0° | 180.0° |
| N2 | C2 | C3 | C4 | 178.1° | 179.6° |
| C2 | N2 | C7 | O7 | 2.8° | 4.7° |
| C2 | N2 | C7 | C8 | 179.2° | 175.3° |
| N2 | C2 | C3 | H3 | 1.9° | 0.3° |
| C3 | C2 | N2 | C7 | 5.7° | 121.6° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | O4 | 102.2° | 99.2° |
| C2 | C3 | C4 | C5 | 19.0° | 21.1° |
| C3 | C2 | N2 | HN2 | 174.3° | 58.3° |
| C2 | C3 | C4 | H4 | 140.9° | 141.2° |
| N2 | C7 | O7 | C8 | 178.0° | 180.0° |
| N2 | C7 | C8 | H8 | 178.1° | 0.1° |
| N2 | C7 | C8 | H8A | 58.1° | 120.0° |
| N2 | C7 | C8 | H8B | 61.9° | 120.0° |
| C3 | C4 | O4 | C5 | 123.3° | 121.0° |
| C3 | C4 | O4 | H4 | 114.5° | 119.5° |
| C3 | C4 | C5 | H4 | 115.0° | 120.1° |
| C3 | C4 | C5 | O5 | 46.1° | 48.7° |
| C3 | C4 | C5 | C6 | 86.9° | 71.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 59.9° |
| C3 | C4 | C5 | H5 | 164.6° | 168.6° |
| O4 | C4 | C5 | H4 | 117.7° | 119.6° |
| O4 | C4 | C5 | O5 | 81.2° | 71.6° |
| O4 | C4 | C5 | C6 | 145.8° | 168.7° |
| O4 | C4 | C3 | H3 | 77.8° | 80.7° |
| O4 | C4 | C5 | H5 | 37.2° | 48.3° |
| C4 | C5 | O5 | C6 | 133.5° | 119.8° |
| C4 | C5 | O5 | H5 | 117.7° | 119.9° |
| C4 | C5 | C6 | H5 | 115.2° | 120.3° |
| C4 | C5 | C6 | O6 | 25.9° | 175.0° |
| C5 | C4 | C3 | H3 | 161.0° | 158.9° |
| C5 | C4 | O4 | HO4 | 56.7° | 179.1° |
| C4 | C5 | C6 | H6 | 145.9° | 55.0° |
| C4 | C5 | C6 | H6A | 94.2° | 65.0° |
| O5 | C5 | C6 | H5 | 116.2° | 120.3° |
| O5 | C5 | C6 | O6 | 102.7° | 65.6° |
| O5 | C5 | C4 | H4 | 161.1° | 168.8° |
| O5 | C5 | C6 | H6 | 17.3° | 174.3° |
| O5 | C5 | C6 | H6A | 137.3° | 54.4° |
| C5 | C6 | O6 | H6 | 120.0° | 120.0° |
| C5 | C6 | O6 | H6A | 120.0° | 120.0° |
| C6 | C5 | C4 | H4 | 28.1° | 49.1° |
| C5 | C6 | H6 | H6A | 119.7° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | H5 | 141.1° | 54.7° |
| O6 | C6 | H6 | H6A | 119.7° | 120.0° |
| O7 | C7 | N2 | HN2 | 177.2° | 175.3° |
| O7 | C7 | C8 | H8 | 0.0° | 180.0° |
| O7 | C7 | C8 | H8A | 120.0° | 60.1° |
| O7 | C7 | C8 | H8B | 120.0° | 60.0° |
| C8 | C7 | N2 | HN2 | 0.9° | 4.6° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 120.0° | 120.1° |
| C7 | C8 | H8A | H8B | 120.0° | 120.1° |
| H3 | C3 | C4 | H4 | 39.1° | 38.9° |
| H4 | C4 | O4 | HO4 | 65.5° | 59.6° |
| H4 | C4 | C5 | H5 | 80.5° | 71.3° |
| H5 | C5 | C6 | H6 | 98.9° | 65.4° |
| H5 | C5 | C6 | H6A | 21.1° | 174.7° |
| H6 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H6A | C6 | O6 | HO6 | 60.0° | 60.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
