CGF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C1 | sing | 1.43Å | 1.50Å | |
| O5 | C5 | sing | 1.43Å | 1.46Å | |
| C1 | C7 | sing | 1.53Å | 1.59Å | |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.58Å | |
| C7 | N7 | sing | 1.47Å | 1.31Å | |
| C7 | O7 | sing | 1.43Å | 1.19Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| N7 | HN71 | sing | 1.01Å | 1.02Å | |
| N7 | HN72 | sing | 1.01Å | 1.02Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| N1 | N2 | doub | 1.12Å | 1.20Å | |
| N2 | N3 | doub | 1.12Å | 1.18Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.59Å | |
| 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 | 1.58Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.63Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O5 | C5 | 112.4° | 107.6° |
| O5 | C1 | C7 | 111.0° | 109.5° |
| O5 | C1 | N1 | 110.2° | 109.4° |
| O5 | C1 | C2 | 112.3° | 109.8° |
| O5 | C5 | C4 | 108.0° | 109.8° |
| O5 | C5 | C6 | 108.0° | 109.4° |
| O5 | C5 | H5 | 112.2° | 109.4° |
| C7 | C1 | N1 | 103.9° | 109.4° |
| C7 | C1 | C2 | 114.2° | 109.4° |
| C1 | C7 | N7 | 118.5° | 109.5° |
| C1 | C7 | O7 | 121.9° | 109.5° |
| C1 | C7 | H7 | 79.3° | 109.5° |
| N1 | C1 | C2 | 104.7° | 109.4° |
| C1 | N1 | N2 | 122.2° | 120.0° |
| C1 | C2 | O2 | 112.1° | 109.6° |
| C1 | C2 | C3 | 108.5° | 109.0° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| N7 | C7 | O7 | 119.6° | 109.5° |
| N7 | C7 | H7 | 162.1° | 109.5° |
| C7 | N7 | HN71 | 118.5° | 106.7° |
| C7 | N7 | HN72 | 109.0° | 106.7° |
| O7 | C7 | H7 | 42.6° | 109.4° |
| C7 | O7 | HO7 | 121.9° | 106.7° |
| HN71 | N7 | HN72 | 109.0° | 106.7° |
| N1 | N2 | N3 | 177.8° | 179.9° |
| O2 | C2 | C3 | 110.9° | 109.6° |
| O2 | C2 | H2 | 106.3° | 109.6° |
| C2 | O2 | HO2 | 112.1° | 106.8° |
| C3 | C2 | H2 | 110.1° | 109.5° |
| C2 | C3 | O3 | 109.7° | 109.7° |
| C2 | C3 | C4 | 108.2° | 108.7° |
| C2 | C3 | H3 | 111.3° | 109.6° |
| O3 | C3 | C4 | 112.6° | 109.6° |
| O3 | C3 | H3 | 106.7° | 109.6° |
| C3 | O3 | HO3 | 109.8° | 106.8° |
| C4 | C3 | H3 | 108.3° | 109.6° |
| C3 | C4 | O4 | 106.8° | 109.6° |
| C3 | C4 | C5 | 109.5° | 109.0° |
| C3 | C4 | H4 | 112.1° | 109.5° |
| O4 | C4 | C5 | 112.0° | 109.5° |
| O4 | C4 | H4 | 109.6° | 109.6° |
| C4 | O4 | HO4 | 112.0° | 106.8° |
| C5 | C4 | H4 | 107.0° | 109.6° |
| C4 | C5 | C6 | 111.6° | 109.4° |
| C4 | C5 | H5 | 108.6° | 109.4° |
| C6 | C5 | H5 | 108.6° | 109.4° |
| C5 | C6 | O6 | 107.5° | 109.5° |
| C5 | C6 | H61 | 112.9° | 109.5° |
| C5 | C6 | H62 | 113.0° | 109.5° |
| O6 | C6 | H61 | 112.9° | 109.4° |
| O6 | C6 | H62 | 113.0° | 109.5° |
| C6 | O6 | HO6 | 107.4° | 106.8° |
| H61 | C6 | H62 | 97.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | C7 | N1 | 118.4° | 119.9° |
| O5 | C1 | C7 | C2 | 128.2° | 120.3° |
| O5 | C1 | N1 | C2 | 121.0° | 120.3° |
| O5 | C1 | C7 | N7 | 50.0° | 174.1° |
| O5 | C1 | C7 | O7 | 130.0° | 54.1° |
| O5 | C1 | C7 | H7 | 131.7° | 65.9° |
| O5 | C1 | N1 | N2 | 56.1° | 59.9° |
| O5 | C1 | C2 | O2 | 179.9° | 178.8° |
| O5 | C1 | C2 | C3 | 57.1° | 61.3° |
| O5 | C1 | C2 | H2 | 62.7° | 58.6° |
| C1 | O5 | C5 | C4 | 60.8° | 67.6° |
| C1 | O5 | C5 | C6 | 178.3° | 172.3° |
| C1 | O5 | C5 | H5 | 58.7° | 52.5° |
| C5 | O5 | C1 | C7 | 67.7° | 52.5° |
| C5 | O5 | C1 | N1 | 177.7° | 172.4° |
| C5 | O5 | C1 | C2 | 61.5° | 67.6° |
| O5 | C5 | C4 | C3 | 60.6° | 61.3° |
| O5 | C5 | C4 | O4 | 178.9° | 178.8° |
| O5 | C5 | C4 | C6 | 118.6° | 120.1° |
| O5 | C5 | C4 | H5 | 121.8° | 120.1° |
| O5 | C5 | C4 | H4 | 61.1° | 58.6° |
| O5 | C5 | C6 | H5 | 121.8° | 119.9° |
| O5 | C5 | C6 | O6 | 64.8° | 65.0° |
| O5 | C5 | C6 | H61 | 169.9° | 175.0° |
| O5 | C5 | C6 | H62 | 60.5° | 55.0° |
| C7 | C1 | N1 | C2 | 120.1° | 119.8° |
| C1 | C7 | N7 | O7 | 179.9° | 120.0° |
| C1 | C7 | N7 | H7 | 174.7° | 120.0° |
| C1 | C7 | O7 | H7 | 2.5° | 120.0° |
| C1 | C7 | N7 | HN71 | 180.0° | 180.0° |
| C1 | C7 | N7 | HN72 | 54.7° | 66.2° |
| C1 | C7 | O7 | HO7 | 180.0° | 67.7° |
| C7 | C1 | N1 | N2 | 62.9° | 60.0° |
| C7 | C1 | C2 | O2 | 52.4° | 61.1° |
| C7 | C1 | C2 | C3 | 70.4° | 58.9° |
| C7 | C1 | C2 | H2 | 169.8° | 178.7° |
| N1 | C1 | C7 | N7 | 68.4° | 54.3° |
| N1 | C1 | C7 | O7 | 111.7° | 65.8° |
| N1 | C1 | C7 | H7 | 110.0° | 174.2° |
| C1 | N1 | N2 | N3 | 33.3° | 36.3° |
| N1 | C1 | C2 | O2 | 60.5° | 58.8° |
| N1 | C1 | C2 | C3 | 176.6° | 178.7° |
| N1 | C1 | C2 | H2 | 56.8° | 61.5° |
| C2 | C1 | C7 | N7 | 178.2° | 65.5° |
| C2 | C1 | C7 | O7 | 1.8° | 174.4° |
| C2 | C1 | C7 | H7 | 3.5° | 54.4° |
| C2 | C1 | N1 | N2 | 177.1° | 179.8° |
| C1 | C2 | O2 | C3 | 121.4° | 119.6° |
| C1 | C2 | O2 | H2 | 118.9° | 120.2° |
| C1 | C2 | C3 | H2 | 119.0° | 119.8° |
| C1 | C2 | O2 | HO2 | 180.0° | 179.5° |
| C1 | C2 | C3 | O3 | 179.4° | 173.5° |
| C1 | C2 | C3 | C4 | 56.2° | 53.8° |
| C1 | C2 | C3 | H3 | 62.7° | 66.0° |
| N7 | C7 | O7 | H7 | 177.6° | 120.0° |
| C7 | N7 | HN71 | HN72 | 125.3° | 113.8° |
| N7 | C7 | O7 | HO7 | 0.0° | 52.3° |
| O7 | C7 | N7 | HN71 | 0.0° | 59.9° |
| O7 | C7 | N7 | HN72 | 125.3° | 53.8° |
| H7 | C7 | N7 | HN71 | 5.3° | 60.0° |
| H7 | C7 | N7 | HN72 | 120.0° | 173.8° |
| H7 | C7 | O7 | HO7 | 177.6° | 172.3° |
| O2 | C2 | C3 | H2 | 117.4° | 120.2° |
| O2 | C2 | C3 | O3 | 57.0° | 66.5° |
| O2 | C2 | C3 | C4 | 179.8° | 173.7° |
| O2 | C2 | C3 | H3 | 60.9° | 53.9° |
| C3 | C2 | O2 | HO2 | 58.6° | 60.0° |
| C2 | C3 | O3 | C4 | 120.6° | 119.2° |
| C2 | C3 | O3 | H3 | 120.7° | 120.4° |
| C2 | C3 | C4 | H3 | 120.8° | 119.8° |
| C2 | C3 | O3 | HO3 | 180.0° | 179.3° |
| C2 | C3 | C4 | O4 | 179.9° | 173.6° |
| C2 | C3 | C4 | C5 | 58.7° | 53.7° |
| C2 | C3 | C4 | H4 | 59.9° | 66.1° |
| H2 | C2 | O2 | HO2 | 61.1° | 60.2° |
| H2 | C2 | C3 | O3 | 60.4° | 53.7° |
| H2 | C2 | C3 | C4 | 62.8° | 66.1° |
| H2 | C2 | C3 | H3 | 178.3° | 174.1° |
| O3 | C3 | C4 | H3 | 117.8° | 120.3° |
| O3 | C3 | C4 | O4 | 58.4° | 66.5° |
| O3 | C3 | C4 | C5 | 179.8° | 173.6° |
| O3 | C3 | C4 | H4 | 61.6° | 53.8° |
| C4 | C3 | O3 | HO3 | 59.4° | 60.1° |
| C3 | C4 | O4 | C5 | 119.9° | 119.5° |
| C3 | C4 | O4 | H4 | 121.6° | 120.2° |
| C3 | C4 | C5 | H4 | 121.7° | 119.8° |
| C3 | C4 | O4 | HO4 | 60.2° | 179.5° |
| C3 | C4 | C5 | C6 | 179.1° | 178.7° |
| C3 | C4 | C5 | H5 | 61.3° | 58.9° |
| H3 | C3 | O3 | HO3 | 59.3° | 60.3° |
| H3 | C3 | C4 | O4 | 59.4° | 53.8° |
| H3 | C3 | C4 | C5 | 62.1° | 66.1° |
| H3 | C3 | C4 | H4 | 179.4° | 174.1° |
| O4 | C4 | C5 | H4 | 120.0° | 120.2° |
| O4 | C4 | C5 | C6 | 62.6° | 58.7° |
| O4 | C4 | C5 | H5 | 57.0° | 61.1° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C4 | C5 | C6 | H5 | 119.6° | 119.8° |
| C4 | C5 | C6 | O6 | 53.7° | 174.7° |
| C4 | C5 | C6 | H61 | 71.5° | 54.7° |
| C4 | C5 | C6 | H62 | 179.1° | 65.3° |
| H4 | C4 | O4 | HO4 | 61.4° | 60.2° |
| H4 | C4 | C5 | C6 | 57.5° | 61.5° |
| H4 | C4 | C5 | H5 | 177.1° | 178.7° |
| C5 | C6 | O6 | H61 | 125.2° | 120.0° |
| C5 | C6 | O6 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 118.9° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 173.3° | 54.9° |
| H5 | C5 | C6 | H61 | 48.1° | 65.1° |
| H5 | C5 | C6 | H62 | 61.3° | 174.9° |
| O6 | C6 | H61 | H62 | 118.9° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 54.7° | 59.9° |
