9GP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| C1 | N1 | sing | 1.47Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | C7 | sing | 1.35Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| C7 | C9 | sing | 1.51Å | 1.53Å | |
| O9 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C2 | C3 | 111.5° | 109.6° |
| O2 | C2 | C1 | 110.2° | 109.5° |
| O2 | C2 | H2 | 108.1° | 109.5° |
| C3 | C2 | C1 | 111.1° | 109.2° |
| C3 | C2 | H2 | 107.2° | 109.6° |
| C2 | C3 | O3 | 110.1° | 109.5° |
| C2 | C3 | C4 | 110.0° | 109.0° |
| C2 | C3 | H3 | 108.7° | 109.5° |
| C1 | C2 | H2 | 108.6° | 109.5° |
| C2 | C1 | O5 | 111.9° | 109.4° |
| C2 | C1 | N1 | 108.0° | 109.5° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| O3 | C3 | C4 | 109.5° | 109.5° |
| O3 | C3 | H3 | 109.2° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 109.3° | 109.6° |
| C3 | C4 | O4 | 109.0° | 109.5° |
| C3 | C4 | C5 | 111.2° | 109.2° |
| C3 | C4 | H4 | 108.8° | 109.6° |
| O4 | C4 | C5 | 110.2° | 109.5° |
| O4 | C4 | H4 | 109.9° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 107.6° | 109.5° |
| C4 | C5 | C6 | 112.6° | 109.5° |
| C4 | C5 | O5 | 109.7° | 109.4° |
| C4 | C5 | H5 | 106.2° | 109.5° |
| C6 | C5 | O5 | 106.4° | 109.5° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C5 | C6 | O6 | 110.1° | 109.5° |
| C5 | C6 | H61 | 109.2° | 109.5° |
| C5 | C6 | H62 | 109.1° | 109.5° |
| O5 | C5 | H5 | 112.4° | 109.5° |
| C5 | O5 | C1 | 113.2° | 114.1° |
| O6 | C6 | H61 | 109.3° | 109.5° |
| O6 | C6 | H62 | 109.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 110.0° | 109.4° |
| O5 | C1 | N1 | 109.7° | 109.5° |
| O5 | C1 | H1 | 107.2° | 109.5° |
| N1 | C1 | H1 | 111.2° | 109.5° |
| C1 | N1 | C7 | 119.1° | 120.0° |
| C1 | N1 | HN1 | 120.4° | 120.0° |
| C7 | N1 | HN1 | 120.4° | 120.0° |
| N1 | C7 | O7 | 123.5° | 120.0° |
| N1 | C7 | C9 | 115.9° | 120.0° |
| O7 | C7 | C9 | 120.6° | 120.0° |
| C7 | C9 | O9 | 111.8° | 109.5° |
| C7 | C9 | H9 | 108.7° | 109.4° |
| C7 | C9 | H9A | 108.2° | 109.5° |
| O9 | C9 | H9 | 108.7° | 109.5° |
| O9 | C9 | H9A | 108.1° | 109.4° |
| C9 | O9 | HO9 | 109.5° | 114.0° |
| H9 | C9 | H9A | 111.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C3 | C1 | 123.4° | 119.9° |
| O2 | C2 | C3 | H2 | 118.1° | 120.2° |
| O2 | C2 | C1 | H2 | 118.2° | 120.1° |
| O2 | C2 | C3 | O3 | 65.1° | 63.3° |
| O2 | C2 | C3 | C4 | 174.2° | 176.9° |
| O2 | C2 | C3 | H3 | 54.5° | 57.0° |
| O2 | C2 | C1 | O5 | 176.5° | 177.5° |
| O2 | C2 | C1 | N1 | 62.7° | 62.5° |
| O2 | C2 | C1 | H1 | 58.2° | 57.6° |
| HO2 | O2 | C2 | C3 | 127.3° | 179.6° |
| HO2 | O2 | C2 | C1 | 3.4° | 59.9° |
| HO2 | O2 | C2 | H2 | 115.1° | 60.1° |
| C3 | C2 | C1 | H2 | 117.6° | 120.0° |
| C2 | C3 | O3 | C4 | 121.0° | 119.5° |
| C2 | C3 | O3 | H3 | 119.3° | 120.2° |
| C2 | C3 | C4 | H3 | 119.3° | 119.9° |
| C2 | C3 | O3 | HO3 | 156.4° | 60.0° |
| C2 | C3 | C4 | O4 | 175.5° | 176.9° |
| C2 | C3 | C4 | C5 | 53.8° | 57.0° |
| C2 | C3 | C4 | H4 | 64.6° | 62.9° |
| C3 | C2 | C1 | O5 | 52.4° | 57.6° |
| C3 | C2 | C1 | N1 | 173.2° | 177.6° |
| C3 | C2 | C1 | H1 | 66.0° | 62.4° |
| C1 | C2 | C3 | O3 | 171.5° | 176.8° |
| C1 | C2 | C3 | C4 | 50.8° | 57.0° |
| C1 | C2 | C3 | H3 | 68.9° | 62.9° |
| C2 | C1 | O5 | C5 | 58.0° | 61.2° |
| C2 | C1 | O5 | N1 | 119.8° | 120.0° |
| C2 | C1 | O5 | H1 | 119.4° | 120.0° |
| C2 | C1 | N1 | H1 | 119.5° | 120.0° |
| C2 | C1 | N1 | C7 | 141.4° | 145.0° |
| C2 | C1 | N1 | HN1 | 38.6° | 35.0° |
| H2 | C2 | C3 | O3 | 53.1° | 56.9° |
| H2 | C2 | C3 | C4 | 67.7° | 62.9° |
| H2 | C2 | C3 | H3 | 172.7° | 177.2° |
| H2 | C2 | C1 | O5 | 65.3° | 62.4° |
| H2 | C2 | C1 | N1 | 55.5° | 57.6° |
| H2 | C2 | C1 | H1 | 176.4° | 177.7° |
| O3 | C3 | C4 | H3 | 119.6° | 120.3° |
| O3 | C3 | C4 | O4 | 63.4° | 63.3° |
| O3 | C3 | C4 | C5 | 174.9° | 176.9° |
| O3 | C3 | C4 | H4 | 56.5° | 56.9° |
| C4 | C3 | O3 | HO3 | 82.6° | 179.5° |
| C3 | C4 | O4 | C5 | 122.3° | 119.6° |
| C3 | C4 | O4 | H4 | 119.2° | 120.2° |
| C3 | C4 | C5 | H4 | 119.1° | 120.0° |
| C3 | C4 | O4 | HO4 | 108.2° | 60.0° |
| C3 | C4 | C5 | C6 | 176.3° | 177.6° |
| C3 | C4 | C5 | O5 | 57.9° | 57.7° |
| C3 | C4 | C5 | H5 | 63.8° | 62.3° |
| H3 | C3 | O3 | HO3 | 37.1° | 60.2° |
| H3 | C3 | C4 | O4 | 56.2° | 57.0° |
| H3 | C3 | C4 | C5 | 65.5° | 62.8° |
| H3 | C3 | C4 | H4 | 176.1° | 177.3° |
| O4 | C4 | C5 | H4 | 119.9° | 120.2° |
| O4 | C4 | C5 | C6 | 62.7° | 62.5° |
| O4 | C4 | C5 | O5 | 178.9° | 177.5° |
| O4 | C4 | C5 | H5 | 57.2° | 57.6° |
| C5 | C4 | O4 | HO4 | 14.1° | 179.7° |
| C4 | C5 | C6 | O5 | 120.3° | 119.9° |
| C4 | C5 | C6 | H5 | 118.0° | 120.1° |
| C4 | C5 | O5 | H5 | 117.9° | 120.0° |
| C4 | C5 | C6 | O6 | 55.0° | 175.0° |
| C4 | C5 | C6 | H61 | 175.0° | 55.0° |
| C4 | C5 | C6 | H62 | 64.8° | 64.9° |
| C4 | C5 | O5 | C1 | 59.9° | 61.2° |
| H4 | C4 | O4 | HO4 | 132.6° | 60.2° |
| H4 | C4 | C5 | C6 | 57.1° | 57.7° |
| H4 | C4 | C5 | O5 | 61.2° | 62.3° |
| H4 | C4 | C5 | H5 | 177.0° | 177.7° |
| C6 | C5 | O5 | H5 | 119.9° | 120.0° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 119.7° | 120.0° |
| C5 | C6 | H61 | H62 | 119.8° | 119.9° |
| C5 | C6 | O6 | HO6 | 77.6° | 180.0° |
| C6 | C5 | O5 | C1 | 178.0° | 178.8° |
| O5 | C5 | C6 | O6 | 65.3° | 65.1° |
| O5 | C5 | C6 | H61 | 54.7° | 174.9° |
| O5 | C5 | C6 | H62 | 175.0° | 55.0° |
| C5 | O5 | C1 | N1 | 177.7° | 178.9° |
| C5 | O5 | C1 | H1 | 61.4° | 58.8° |
| H5 | C5 | C6 | O6 | 172.9° | 55.0° |
| H5 | C5 | C6 | H61 | 67.1° | 65.1° |
| H5 | C5 | C6 | H62 | 53.2° | 175.0° |
| H5 | C5 | O5 | C1 | 58.1° | 58.8° |
| O6 | C6 | H61 | H62 | 119.7° | 120.0° |
| H61 | C6 | O6 | HO6 | 162.4° | 60.0° |
| H62 | C6 | O6 | HO6 | 42.2° | 60.0° |
| O5 | C1 | N1 | H1 | 118.4° | 120.0° |
| O5 | C1 | N1 | C7 | 96.5° | 95.1° |
| O5 | C1 | N1 | HN1 | 83.5° | 84.9° |
| C1 | N1 | C7 | HN1 | 180.0° | 180.0° |
| C1 | N1 | C7 | O7 | 0.5° | 0.0° |
| C1 | N1 | C7 | C9 | 179.5° | 180.0° |
| H1 | C1 | N1 | C7 | 21.9° | 25.0° |
| H1 | C1 | N1 | HN1 | 158.1° | 155.0° |
| N1 | C7 | O7 | C9 | 179.9° | 180.0° |
| N1 | C7 | C9 | O9 | 20.5° | 179.9° |
| N1 | C7 | C9 | H9 | 99.5° | 60.0° |
| N1 | C7 | C9 | H9A | 139.5° | 60.0° |
| HN1 | N1 | C7 | O7 | 179.6° | 180.0° |
| HN1 | N1 | C7 | C9 | 0.5° | 0.0° |
| O7 | C7 | C9 | O9 | 159.6° | 0.0° |
| O7 | C7 | C9 | H9 | 80.5° | 120.0° |
| O7 | C7 | C9 | H9A | 40.6° | 120.0° |
| C7 | C9 | O9 | H9 | 120.0° | 120.0° |
| C7 | C9 | O9 | H9A | 119.0° | 120.0° |
| C7 | C9 | H9 | H9A | 119.0° | 120.0° |
| C7 | C9 | O9 | HO9 | 34.2° | 180.0° |
| O9 | C9 | H9 | H9A | 119.0° | 120.0° |
| H9 | C9 | O9 | HO9 | 85.7° | 60.0° |
| H9A | C9 | O9 | HO9 | 153.2° | 60.0° |
