FNG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | O5 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| O1 | C7 | sing | 1.36Å | 1.42Å | |
| C2 | O2 | sing | 1.43Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.58Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H121 | sing | 1.08Å | 1.10Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | N16 | sing | 1.48Å | 1.48Å | |
| C10 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.10Å | |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C13 | sing | 1.48Å | 1.50Å | |
| C8 | H81 | sing | 1.08Å | 1.10Å | |
| N16 | O17 | doub | 1.22Å | 1.20Å | |
| N16 | O18 | sing | 1.22Å | 1.25Å | |
| C13 | N15 | sing | 1.35Å | 1.25Å | |
| C13 | O14 | doub | 1.22Å | 1.21Å | |
| N15 | H151 | sing | 0.97Å | 1.02Å | |
| N15 | H152 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 105.6° | 109.4° |
| O1 | C1 | O5 | 110.5° | 109.4° |
| O1 | C1 | H1 | 111.6° | 109.4° |
| C1 | O1 | C7 | 115.5° | 106.8° |
| C2 | C1 | O5 | 110.2° | 109.7° |
| C2 | C1 | H1 | 111.9° | 109.4° |
| C1 | C2 | O2 | 111.3° | 109.5° |
| C1 | C2 | C3 | 109.2° | 109.1° |
| C1 | C2 | H2 | 109.6° | 109.6° |
| O5 | C1 | H1 | 107.1° | 109.4° |
| C1 | O5 | C5 | 116.6° | 107.6° |
| O1 | C7 | C12 | 117.1° | 120.0° |
| O1 | C7 | C8 | 116.4° | 120.0° |
| O2 | C2 | C3 | 112.8° | 109.5° |
| O2 | C2 | H2 | 105.7° | 109.6° |
| C2 | O2 | HO2 | 111.3° | 106.8° |
| C3 | C2 | H2 | 108.0° | 109.6° |
| C2 | C3 | O3 | 106.6° | 109.7° |
| C2 | C3 | C4 | 111.6° | 108.6° |
| C2 | C3 | H3 | 109.0° | 109.7° |
| O3 | C3 | C4 | 106.4° | 109.6° |
| O3 | C3 | H3 | 114.0° | 109.6° |
| C3 | O3 | HO3 | 106.6° | 106.8° |
| C4 | C3 | H3 | 109.2° | 109.6° |
| C3 | C4 | O4 | 111.1° | 109.6° |
| C3 | C4 | C5 | 106.9° | 109.0° |
| C3 | C4 | H4 | 110.7° | 109.5° |
| O4 | C4 | C5 | 111.2° | 109.5° |
| O4 | C4 | H4 | 106.4° | 109.5° |
| C4 | O4 | HO4 | 111.1° | 106.8° |
| C5 | C4 | H4 | 110.6° | 109.6° |
| C4 | C5 | O5 | 112.1° | 109.8° |
| C4 | C5 | C6 | 113.2° | 109.4° |
| C4 | C5 | H5 | 103.5° | 109.4° |
| O5 | C5 | C6 | 104.3° | 109.5° |
| O5 | C5 | H5 | 112.6° | 109.4° |
| C6 | C5 | H5 | 111.4° | 109.4° |
| C5 | C6 | O6 | 106.8° | 109.5° |
| C5 | C6 | H61 | 113.2° | 109.5° |
| C5 | C6 | H62 | 113.2° | 109.4° |
| O6 | C6 | H61 | 113.2° | 109.5° |
| O6 | C6 | H62 | 113.2° | 109.5° |
| C6 | O6 | HO6 | 106.8° | 106.8° |
| H61 | C6 | H62 | 97.2° | 109.4° |
| C12 | C7 | C8 | 126.5° | 120.1° |
| C7 | C12 | C11 | 114.2° | 120.2° |
| C7 | C12 | H121 | 122.8° | 119.9° |
| C7 | C8 | C9 | 115.6° | 119.8° |
| C7 | C8 | H81 | 122.7° | 120.1° |
| C11 | C12 | H121 | 123.0° | 119.9° |
| C12 | C11 | C10 | 123.6° | 120.2° |
| C12 | C11 | N16 | 116.7° | 119.9° |
| C10 | C11 | N16 | 119.6° | 119.9° |
| C11 | C10 | C9 | 117.6° | 119.9° |
| C11 | C10 | H101 | 120.9° | 120.0° |
| C11 | N16 | O17 | 113.9° | 120.0° |
| C11 | N16 | O18 | 115.9° | 120.0° |
| C9 | C10 | H101 | 121.5° | 120.1° |
| C10 | C9 | C8 | 122.5° | 119.8° |
| C10 | C9 | C13 | 118.3° | 120.1° |
| C8 | C9 | C13 | 119.2° | 120.1° |
| C9 | C8 | H81 | 121.7° | 120.1° |
| C9 | C13 | N15 | 114.9° | 120.0° |
| C9 | C13 | O14 | 118.8° | 120.0° |
| O17 | N16 | O18 | 128.2° | 120.0° |
| N15 | C13 | O14 | 126.3° | 120.0° |
| C13 | N15 | H151 | 114.9° | 120.0° |
| C13 | N15 | H152 | 126.3° | 119.9° |
| H151 | N15 | H152 | 118.8° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 119.4° | 120.1° |
| O1 | C1 | C2 | H1 | 121.6° | 119.9° |
| O1 | C1 | O5 | H1 | 121.7° | 119.9° |
| O1 | C1 | C2 | O2 | 58.0° | 61.1° |
| O1 | C1 | C2 | C3 | 67.2° | 58.8° |
| O1 | C1 | C2 | H2 | 174.7° | 178.7° |
| O1 | C1 | O5 | C5 | 60.5° | 52.5° |
| C1 | O1 | C7 | C12 | 91.0° | 174.4° |
| C1 | O1 | C7 | C8 | 90.3° | 5.6° |
| C2 | C1 | O5 | H1 | 121.9° | 120.0° |
| C2 | C1 | O1 | C7 | 173.1° | 165.6° |
| C1 | C2 | O2 | C3 | 123.2° | 119.6° |
| C1 | C2 | O2 | H2 | 119.0° | 120.2° |
| C1 | C2 | C3 | H2 | 119.2° | 119.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.4° |
| C1 | C2 | C3 | O3 | 171.6° | 173.6° |
| C1 | C2 | C3 | C4 | 55.7° | 53.8° |
| C1 | C2 | C3 | H3 | 65.0° | 66.0° |
| C2 | C1 | O5 | C5 | 55.8° | 67.6° |
| O5 | C1 | O1 | C7 | 67.7° | 74.1° |
| O5 | C1 | C2 | O2 | 177.4° | 178.8° |
| O5 | C1 | C2 | C3 | 52.2° | 61.3° |
| O5 | C1 | C2 | H2 | 66.0° | 58.6° |
| C1 | O5 | C5 | C4 | 58.8° | 67.6° |
| C1 | O5 | C5 | C6 | 178.3° | 172.3° |
| C1 | O5 | C5 | H5 | 57.4° | 52.5° |
| H1 | C1 | O1 | C7 | 51.3° | 45.8° |
| H1 | C1 | C2 | O2 | 63.6° | 58.8° |
| H1 | C1 | C2 | C3 | 171.2° | 178.6° |
| H1 | C1 | C2 | H2 | 53.1° | 61.4° |
| H1 | C1 | O5 | C5 | 177.8° | 172.4° |
| O1 | C7 | C12 | C8 | 178.6° | 180.0° |
| O1 | C7 | C12 | C11 | 179.3° | 180.0° |
| O1 | C7 | C12 | H121 | 0.7° | 0.0° |
| O1 | C7 | C8 | C9 | 179.9° | 180.0° |
| O1 | C7 | C8 | H81 | 0.1° | 0.0° |
| O2 | C2 | C3 | H2 | 116.5° | 120.2° |
| O2 | C2 | C3 | O3 | 64.1° | 66.5° |
| O2 | C2 | C3 | C4 | 179.9° | 173.6° |
| O2 | C2 | C3 | H3 | 59.4° | 53.9° |
| C3 | C2 | O2 | HO2 | 56.8° | 180.0° |
| C2 | C3 | O3 | C4 | 119.3° | 119.2° |
| C2 | C3 | O3 | H3 | 120.3° | 120.5° |
| C2 | C3 | C4 | H3 | 120.6° | 119.8° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.8° |
| C2 | C3 | C4 | O4 | 65.1° | 66.2° |
| C2 | C3 | C4 | C5 | 56.3° | 53.7° |
| C2 | C3 | C4 | H4 | 176.8° | 173.6° |
| H2 | C2 | O2 | HO2 | 61.0° | 59.8° |
| H2 | C2 | C3 | O3 | 52.4° | 53.7° |
| H2 | C2 | C3 | C4 | 63.4° | 66.1° |
| H2 | C2 | C3 | H3 | 175.9° | 174.1° |
| O3 | C3 | C4 | H3 | 123.5° | 120.3° |
| O3 | C3 | C4 | O4 | 50.8° | 53.7° |
| O3 | C3 | C4 | C5 | 172.2° | 173.6° |
| O3 | C3 | C4 | H4 | 67.2° | 66.5° |
| C4 | C3 | O3 | HO3 | 60.8° | 180.0° |
| C3 | C4 | O4 | C5 | 118.9° | 119.6° |
| C3 | C4 | O4 | H4 | 120.6° | 120.2° |
| C3 | C4 | C5 | H4 | 120.6° | 119.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.4° |
| C3 | C4 | C5 | O5 | 56.1° | 61.2° |
| C3 | C4 | C5 | C6 | 173.7° | 178.6° |
| C3 | C4 | C5 | H5 | 65.5° | 58.9° |
| H3 | C3 | O3 | HO3 | 59.7° | 59.6° |
| H3 | C3 | C4 | O4 | 174.3° | 174.0° |
| H3 | C3 | C4 | C5 | 64.3° | 66.1° |
| H3 | C3 | C4 | H4 | 56.3° | 53.9° |
| O4 | C4 | C5 | H4 | 118.0° | 120.2° |
| O4 | C4 | C5 | O5 | 65.3° | 58.7° |
| O4 | C4 | C5 | C6 | 52.3° | 61.4° |
| O4 | C4 | C5 | H5 | 173.1° | 178.8° |
| C5 | C4 | O4 | HO4 | 61.1° | 180.0° |
| C4 | C5 | O5 | C6 | 122.9° | 120.1° |
| C4 | C5 | O5 | H5 | 116.2° | 120.1° |
| C4 | C5 | C6 | H5 | 116.2° | 119.7° |
| C4 | C5 | C6 | O6 | 175.0° | 174.6° |
| C4 | C5 | C6 | H61 | 59.7° | 54.6° |
| C4 | C5 | C6 | H62 | 49.8° | 65.4° |
| H4 | C4 | O4 | HO4 | 59.4° | 59.8° |
| H4 | C4 | C5 | O5 | 176.7° | 178.9° |
| H4 | C4 | C5 | C6 | 65.7° | 58.7° |
| H4 | C4 | C5 | H5 | 55.1° | 61.0° |
| O5 | C5 | C6 | H5 | 121.7° | 119.9° |
| O5 | C5 | C6 | O6 | 62.8° | 65.0° |
| O5 | C5 | C6 | H61 | 62.4° | 175.0° |
| O5 | C5 | C6 | H62 | 171.9° | 55.0° |
| C5 | C6 | O6 | H61 | 125.3° | 120.0° |
| C5 | C6 | O6 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 119.1° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
| H5 | C5 | C6 | O6 | 58.8° | 54.9° |
| H5 | C5 | C6 | H61 | 175.9° | 65.2° |
| H5 | C5 | C6 | H62 | 66.5° | 174.9° |
| O6 | C6 | H61 | H62 | 119.1° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 54.7° | 60.0° |
| C7 | C12 | C11 | H121 | 180.0° | 180.0° |
| C7 | C12 | C11 | C10 | 0.0° | 0.3° |
| C7 | C12 | C11 | N16 | 176.0° | 180.0° |
| C12 | C7 | C8 | C9 | 1.3° | 0.0° |
| C12 | C7 | C8 | H81 | 178.8° | 179.9° |
| C8 | C7 | C12 | C11 | 0.7° | 0.0° |
| C8 | C7 | C12 | H121 | 179.3° | 180.0° |
| C7 | C8 | C9 | C10 | 1.1° | 0.2° |
| C7 | C8 | C9 | H81 | 180.0° | 180.0° |
| C7 | C8 | C9 | C13 | 178.8° | 180.0° |
| C12 | C11 | C10 | N16 | 175.8° | 179.7° |
| C12 | C11 | C10 | C9 | 0.1° | 0.6° |
| C12 | C11 | C10 | H101 | 179.9° | 180.0° |
| C12 | C11 | N16 | O17 | 175.1° | 180.0° |
| C12 | C11 | N16 | O18 | 9.8° | 0.1° |
| H121 | C12 | C11 | C10 | 180.0° | 179.7° |
| H121 | C12 | C11 | N16 | 4.0° | 0.0° |
| C11 | C10 | C9 | H101 | 180.0° | 179.4° |
| C11 | C10 | C9 | C8 | 0.5° | 0.5° |
| C11 | C10 | C9 | C13 | 178.3° | 179.7° |
| C10 | C11 | N16 | O17 | 8.7° | 0.4° |
| C10 | C11 | N16 | O18 | 174.1° | 179.8° |
| N16 | C11 | C10 | C9 | 176.0° | 179.8° |
| N16 | C11 | C10 | H101 | 4.1° | 0.3° |
| C11 | N16 | O17 | O18 | 163.1° | 179.9° |
| C10 | C9 | C8 | C13 | 177.7° | 179.8° |
| C10 | C9 | C8 | H81 | 178.9° | 179.8° |
| C10 | C9 | C13 | N15 | 12.4° | 0.2° |
| C10 | C9 | C13 | O14 | 169.3° | 179.7° |
| H101 | C10 | C9 | C8 | 179.5° | 180.0° |
| H101 | C10 | C9 | C13 | 1.7° | 0.3° |
| C8 | C9 | C13 | N15 | 165.4° | 180.0° |
| C8 | C9 | C13 | O14 | 12.9° | 0.1° |
| C13 | C9 | C8 | H81 | 1.2° | 0.0° |
| C9 | C13 | N15 | O14 | 178.2° | 179.9° |
| C9 | C13 | N15 | H151 | 180.0° | 180.0° |
| C9 | C13 | N15 | H152 | 1.8° | 0.3° |
| C13 | N15 | H151 | H152 | 178.3° | 179.7° |
| O14 | C13 | N15 | H151 | 1.8° | 0.0° |
| O14 | C13 | N15 | H152 | 180.0° | 179.8° |
