4GP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.58Å | |
| C1 | O5 | sing | 1.43Å | 1.47Å | |
| C1 | N1 | sing | 1.47Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | sing | 1.43Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.60Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| N1 | C7 | sing | 1.35Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.49Å | 1.48Å | |
| C7 | O7 | doub | 1.21Å | 1.25Å | |
| C8 | O8 | sing | 1.35Å | 1.25Å | |
| C8 | O9 | doub | 1.21Å | 1.25Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 111.7° | 109.9° |
| C2 | C1 | N1 | 108.7° | 109.3° |
| C2 | C1 | H1 | 108.5° | 109.4° |
| C1 | C2 | O2 | 110.4° | 109.6° |
| C1 | C2 | C3 | 107.6° | 109.0° |
| C1 | C2 | H2 | 110.6° | 109.5° |
| O5 | C1 | N1 | 109.3° | 109.4° |
| O5 | C1 | H1 | 107.8° | 109.4° |
| C1 | O5 | C5 | 111.8° | 107.6° |
| N1 | C1 | H1 | 110.9° | 109.4° |
| C1 | N1 | C7 | 118.2° | 120.0° |
| C1 | N1 | HN1 | 120.9° | 120.0° |
| O2 | C2 | C3 | 110.9° | 109.6° |
| O2 | C2 | H2 | 107.2° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 106.9° |
| C3 | C2 | H2 | 110.1° | 109.5° |
| C2 | C3 | O3 | 110.0° | 109.6° |
| C2 | C3 | C4 | 109.0° | 108.6° |
| C2 | C3 | H3 | 109.7° | 109.6° |
| O3 | C3 | C4 | 110.1° | 109.7° |
| O3 | C3 | H3 | 108.5° | 109.7° |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| C4 | C3 | H3 | 109.5° | 109.7° |
| C3 | C4 | O4 | 109.9° | 109.5° |
| C3 | C4 | C5 | 109.9° | 109.0° |
| C3 | C4 | H4 | 108.9° | 109.6° |
| O4 | C4 | C5 | 109.6° | 109.5° |
| O4 | C4 | H4 | 109.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 106.8° |
| C5 | C4 | H4 | 109.3° | 109.6° |
| C4 | C5 | O5 | 110.0° | 109.8° |
| C4 | C5 | C6 | 111.2° | 109.4° |
| C4 | C5 | H5 | 107.7° | 109.5° |
| O5 | C5 | C6 | 108.8° | 109.4° |
| O5 | C5 | H5 | 110.1° | 109.4° |
| C6 | C5 | H5 | 109.0° | 109.4° |
| C5 | C6 | O6 | 112.0° | 109.5° |
| C5 | C6 | H61 | 108.1° | 109.5° |
| C5 | C6 | H62 | 108.6° | 109.5° |
| O6 | C6 | H61 | 108.0° | 109.4° |
| O6 | C6 | H62 | 108.6° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 106.8° |
| H61 | C6 | H62 | 111.5° | 109.4° |
| C7 | N1 | HN1 | 120.9° | 120.0° |
| N1 | C7 | C8 | 116.0° | 120.0° |
| N1 | C7 | O7 | 123.0° | 120.0° |
| C8 | C7 | O7 | 121.0° | 120.0° |
| C7 | C8 | O8 | 121.3° | 120.0° |
| C7 | C8 | O9 | 118.1° | 120.0° |
| O8 | C8 | O9 | 120.6° | 120.0° |
| C8 | O8 | HO8 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | N1 | 120.3° | 120.0° |
| C2 | C1 | O5 | H1 | 119.1° | 120.1° |
| C2 | C1 | N1 | H1 | 119.1° | 119.8° |
| C1 | C2 | O2 | C3 | 119.2° | 119.6° |
| C1 | C2 | O2 | H2 | 120.5° | 120.2° |
| C1 | C2 | C3 | H2 | 120.6° | 119.8° |
| C1 | C2 | O2 | HO2 | 10.0° | 60.0° |
| C1 | C2 | C3 | O3 | 178.8° | 173.6° |
| C1 | C2 | C3 | C4 | 57.9° | 53.7° |
| C1 | C2 | C3 | H3 | 62.0° | 66.0° |
| C2 | C1 | O5 | C5 | 60.4° | 67.6° |
| C2 | C1 | N1 | C7 | 135.1° | 144.6° |
| C2 | C1 | N1 | HN1 | 44.9° | 35.3° |
| O5 | C1 | N1 | H1 | 118.7° | 119.9° |
| O5 | C1 | C2 | O2 | 179.9° | 178.8° |
| O5 | C1 | C2 | C3 | 58.8° | 61.2° |
| O5 | C1 | C2 | H2 | 61.5° | 58.6° |
| C1 | O5 | C5 | C4 | 58.5° | 67.6° |
| C1 | O5 | C5 | C6 | 179.5° | 172.3° |
| C1 | O5 | C5 | H5 | 60.1° | 52.5° |
| O5 | C1 | N1 | C7 | 102.7° | 95.0° |
| O5 | C1 | N1 | HN1 | 77.2° | 85.0° |
| N1 | C1 | C2 | O2 | 59.4° | 58.7° |
| N1 | C1 | C2 | C3 | 179.5° | 178.7° |
| N1 | C1 | C2 | H2 | 59.2° | 61.5° |
| N1 | C1 | O5 | C5 | 179.3° | 172.4° |
| C1 | N1 | C7 | HN1 | 180.0° | 180.0° |
| C1 | N1 | C7 | C8 | 179.8° | 180.0° |
| C1 | N1 | C7 | O7 | 0.1° | 0.0° |
| H1 | C1 | C2 | O2 | 61.3° | 61.1° |
| H1 | C1 | C2 | C3 | 59.9° | 58.9° |
| H1 | C1 | C2 | H2 | 179.8° | 178.7° |
| H1 | C1 | O5 | C5 | 58.7° | 52.5° |
| H1 | C1 | N1 | C7 | 16.0° | 24.9° |
| H1 | C1 | N1 | HN1 | 164.1° | 155.1° |
| O2 | C2 | C3 | H2 | 118.5° | 120.3° |
| O2 | C2 | C3 | O3 | 60.3° | 66.5° |
| O2 | C2 | C3 | C4 | 178.8° | 173.7° |
| O2 | C2 | C3 | H3 | 58.9° | 53.9° |
| C3 | C2 | O2 | HO2 | 129.2° | 179.6° |
| C2 | C3 | O3 | C4 | 120.1° | 119.2° |
| C2 | C3 | O3 | H3 | 120.0° | 120.3° |
| C2 | C3 | C4 | H3 | 120.0° | 119.7° |
| C2 | C3 | O3 | HO3 | 152.5° | 60.0° |
| C2 | C3 | C4 | O4 | 179.1° | 173.7° |
| C2 | C3 | C4 | C5 | 58.4° | 53.8° |
| C2 | C3 | C4 | H4 | 61.3° | 66.1° |
| H2 | C2 | O2 | HO2 | 110.6° | 60.2° |
| H2 | C2 | C3 | O3 | 58.2° | 53.8° |
| H2 | C2 | C3 | C4 | 62.7° | 66.1° |
| H2 | C2 | C3 | H3 | 177.4° | 174.2° |
| O3 | C3 | C4 | H3 | 119.2° | 120.5° |
| O3 | C3 | C4 | O4 | 60.2° | 66.6° |
| O3 | C3 | C4 | C5 | 179.2° | 173.6° |
| O3 | C3 | C4 | H4 | 59.5° | 53.6° |
| C4 | C3 | O3 | HO3 | 87.4° | 179.2° |
| C3 | C4 | O4 | C5 | 120.9° | 119.5° |
| C3 | C4 | O4 | H4 | 119.5° | 120.2° |
| C3 | C4 | C5 | H4 | 119.5° | 119.9° |
| C3 | C4 | O4 | HO4 | 103.8° | 60.0° |
| C3 | C4 | C5 | O5 | 58.1° | 61.4° |
| C3 | C4 | C5 | C6 | 178.7° | 178.6° |
| C3 | C4 | C5 | H5 | 61.9° | 58.7° |
| H3 | C3 | O3 | HO3 | 32.5° | 60.3° |
| H3 | C3 | C4 | O4 | 59.1° | 53.9° |
| H3 | C3 | C4 | C5 | 61.6° | 65.9° |
| H3 | C3 | C4 | H4 | 178.7° | 174.2° |
| O4 | C4 | C5 | H4 | 119.6° | 120.2° |
| O4 | C4 | C5 | O5 | 179.0° | 178.8° |
| O4 | C4 | C5 | C6 | 60.4° | 58.7° |
| O4 | C4 | C5 | H5 | 59.0° | 61.1° |
| C5 | C4 | O4 | HO4 | 17.1° | 179.5° |
| C4 | C5 | O5 | C6 | 122.0° | 120.0° |
| C4 | C5 | O5 | H5 | 118.5° | 120.1° |
| C4 | C5 | C6 | H5 | 118.5° | 119.9° |
| C4 | C5 | C6 | O6 | 49.4° | 174.9° |
| C4 | C5 | C6 | H61 | 69.6° | 65.1° |
| C4 | C5 | C6 | H62 | 169.3° | 54.9° |
| H4 | C4 | O4 | HO4 | 136.7° | 60.2° |
| H4 | C4 | C5 | O5 | 61.3° | 58.5° |
| H4 | C4 | C5 | C6 | 59.3° | 61.5° |
| H4 | C4 | C5 | H5 | 178.6° | 178.7° |
| O5 | C5 | C6 | H5 | 120.1° | 119.9° |
| O5 | C5 | C6 | O6 | 72.0° | 64.9° |
| O5 | C5 | C6 | H61 | 169.1° | 55.1° |
| O5 | C5 | C6 | H62 | 48.0° | 175.1° |
| C5 | C6 | O6 | H61 | 118.9° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 119.3° | 120.0° |
| C5 | C6 | O6 | HO6 | 78.3° | 180.0° |
| H5 | C5 | C6 | O6 | 167.9° | 55.0° |
| H5 | C5 | C6 | H61 | 49.0° | 175.0° |
| H5 | C5 | C6 | H62 | 72.1° | 65.0° |
| O6 | C6 | H61 | H62 | 119.3° | 120.0° |
| H61 | C6 | O6 | HO6 | 40.6° | 60.0° |
| H62 | C6 | O6 | HO6 | 161.7° | 60.0° |
| N1 | C7 | C8 | O7 | 179.9° | 179.9° |
| N1 | C7 | C8 | O8 | 159.7° | 179.9° |
| N1 | C7 | C8 | O9 | 19.7° | 0.0° |
| HN1 | N1 | C7 | C8 | 0.2° | 0.0° |
| HN1 | N1 | C7 | O7 | 179.9° | 180.0° |
| C7 | C8 | O8 | O9 | 179.4° | 179.9° |
| C7 | C8 | O8 | HO8 | 179.4° | 180.0° |
| O7 | C7 | C8 | O8 | 20.1° | 0.0° |
| O7 | C7 | C8 | O9 | 160.4° | 179.9° |
| O9 | C8 | O8 | HO8 | 0.0° | 0.1° |
