GOO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O6 | sing | 1.43Å | 1.44Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| O6 | C1 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.54Å | 1.54Å | |
| C1 | C5 | sing | 1.54Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | C3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.55Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | sing | 1.54Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | N5 | sing | 1.47Å | 1.49Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 1.01Å | 1.00Å | |
| N5 | HN5A | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C7 | H7 | 109.5° | 109.4° |
| O6 | C7 | H7A | 109.4° | 109.4° |
| O6 | C7 | H7B | 109.5° | 109.4° |
| C7 | O6 | C1 | 112.5° | 114.0° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| O6 | C1 | C2 | 111.8° | 110.0° |
| O6 | C1 | C5 | 104.4° | 110.0° |
| O6 | C1 | H1 | 108.6° | 110.0° |
| C2 | C1 | C5 | 100.1° | 106.6° |
| C2 | C1 | H1 | 112.4° | 110.1° |
| C1 | C2 | O2 | 114.4° | 110.5° |
| C1 | C2 | C3 | 101.0° | 104.2° |
| C1 | C2 | H2 | 112.7° | 110.4° |
| C5 | C1 | H1 | 119.0° | 110.1° |
| C1 | C5 | C4 | 105.2° | 106.6° |
| C1 | C5 | N5 | 112.5° | 110.0° |
| C1 | C5 | H5 | 109.6° | 110.1° |
| O2 | C2 | C3 | 111.8° | 110.5° |
| O2 | C2 | H2 | 102.1° | 110.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 115.3° | 110.5° |
| C2 | C3 | O3 | 111.1° | 110.8° |
| C2 | C3 | C4 | 103.0° | 102.7° |
| C2 | C3 | H3 | 112.9° | 110.8° |
| O3 | C3 | C4 | 110.1° | 110.7° |
| O3 | C3 | H3 | 106.1° | 110.8° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 113.9° | 110.8° |
| C3 | C4 | C5 | 105.1° | 104.2° |
| C3 | C4 | O4 | 112.7° | 110.5° |
| C3 | C4 | H4 | 111.3° | 110.5° |
| C5 | C4 | O4 | 112.4° | 110.5° |
| C5 | C4 | H4 | 111.6° | 110.6° |
| C4 | C5 | N5 | 107.0° | 110.0° |
| C4 | C5 | H5 | 114.9° | 110.1° |
| O4 | C4 | H4 | 103.9° | 110.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| N5 | C5 | H5 | 107.8° | 110.1° |
| C5 | N5 | HN5 | 109.5° | 111.0° |
| C5 | N5 | HN5A | 109.4° | 111.0° |
| HN5 | N5 | HN5A | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C7 | H7 | H7A | 120.0° | 119.9° |
| O6 | C7 | H7 | H7B | 120.0° | 120.0° |
| O6 | C7 | H7A | H7B | 120.0° | 120.0° |
| C7 | O6 | C1 | C2 | 76.9° | 92.8° |
| C7 | O6 | C1 | C5 | 175.7° | 150.0° |
| C7 | O6 | C1 | H1 | 47.8° | 28.6° |
| H7 | C7 | H7A | H7B | 120.0° | 120.1° |
| H7 | C7 | O6 | C1 | 170.2° | 180.0° |
| H7A | C7 | O6 | C1 | 69.8° | 60.0° |
| H7B | C7 | O6 | C1 | 50.2° | 60.0° |
| O6 | C1 | C2 | C5 | 110.1° | 119.3° |
| O6 | C1 | C2 | H1 | 122.5° | 121.4° |
| O6 | C1 | C5 | H1 | 121.3° | 121.4° |
| O6 | C1 | C2 | O2 | 79.0° | 145.6° |
| O6 | C1 | C2 | C3 | 160.7° | 95.6° |
| O6 | C1 | C2 | H2 | 37.0° | 23.1° |
| O6 | C1 | C5 | C4 | 155.7° | 119.3° |
| O6 | C1 | C5 | N5 | 88.1° | 121.5° |
| O6 | C1 | C5 | H5 | 31.8° | 0.0° |
| C2 | C1 | C5 | H1 | 122.8° | 119.3° |
| C1 | C2 | O2 | C3 | 114.1° | 114.8° |
| C1 | C2 | O2 | H2 | 122.1° | 122.5° |
| C1 | C2 | C3 | H2 | 121.8° | 118.6° |
| C1 | C2 | O2 | HO2 | 148.5° | 180.0° |
| C1 | C2 | C3 | O3 | 76.4° | 156.3° |
| C1 | C2 | C3 | C4 | 41.4° | 38.0° |
| C1 | C2 | C3 | H3 | 164.6° | 80.3° |
| C2 | C1 | C5 | C4 | 39.9° | 0.0° |
| C2 | C1 | C5 | N5 | 156.0° | 119.3° |
| C2 | C1 | C5 | H5 | 84.0° | 119.3° |
| C5 | C1 | C2 | O2 | 170.8° | 95.1° |
| C5 | C1 | C2 | C3 | 50.5° | 23.6° |
| C5 | C1 | C2 | H2 | 73.1° | 142.3° |
| C1 | C5 | C4 | C3 | 14.6° | 23.7° |
| C1 | C5 | C4 | N5 | 119.9° | 119.2° |
| C1 | C5 | C4 | H5 | 120.5° | 119.3° |
| C1 | C5 | C4 | O4 | 108.3° | 95.0° |
| C1 | C5 | C4 | H4 | 135.5° | 142.3° |
| C1 | C5 | N5 | H5 | 120.9° | 121.4° |
| C1 | C5 | N5 | HN5 | 16.5° | 180.0° |
| C1 | C5 | N5 | HN5A | 136.5° | 56.1° |
| H1 | C1 | C2 | O2 | 43.5° | 24.2° |
| H1 | C1 | C2 | C3 | 76.8° | 143.0° |
| H1 | C1 | C2 | H2 | 159.6° | 98.4° |
| H1 | C1 | C5 | C4 | 82.9° | 119.3° |
| H1 | C1 | C5 | N5 | 33.2° | 0.1° |
| H1 | C1 | C5 | H5 | 153.1° | 121.4° |
| O2 | C2 | C3 | H2 | 116.0° | 122.7° |
| O2 | C2 | C3 | O3 | 45.7° | 37.6° |
| O2 | C2 | C3 | C4 | 163.5° | 80.7° |
| O2 | C2 | C3 | H3 | 73.3° | 161.0° |
| C3 | C2 | O2 | HO2 | 97.4° | 65.2° |
| C2 | C3 | O3 | C4 | 113.4° | 113.3° |
| C2 | C3 | O3 | H3 | 123.0° | 123.4° |
| C2 | C3 | C4 | H3 | 122.5° | 118.3° |
| C2 | C3 | O3 | HO3 | 64.9° | 180.0° |
| C2 | C3 | C4 | C5 | 16.9° | 38.0° |
| C2 | C3 | C4 | O4 | 139.6° | 80.7° |
| C2 | C3 | C4 | H4 | 104.1° | 156.8° |
| H2 | C2 | O2 | HO2 | 26.4° | 57.4° |
| H2 | C2 | C3 | O3 | 161.8° | 85.1° |
| H2 | C2 | C3 | C4 | 80.5° | 156.6° |
| H2 | C2 | C3 | H3 | 42.8° | 38.3° |
| O3 | C3 | C4 | H3 | 118.9° | 123.4° |
| O3 | C3 | C4 | C5 | 101.6° | 156.3° |
| O3 | C3 | C4 | O4 | 21.1° | 37.6° |
| O3 | C3 | C4 | H4 | 137.4° | 84.9° |
| C4 | C3 | O3 | HO3 | 178.4° | 66.7° |
| C3 | C4 | C5 | O4 | 122.9° | 118.7° |
| C3 | C4 | C5 | H4 | 120.8° | 118.7° |
| C3 | C4 | O4 | H4 | 120.6° | 122.5° |
| C3 | C4 | O4 | HO4 | 35.6° | 61.4° |
| C3 | C4 | C5 | N5 | 134.5° | 142.9° |
| C3 | C4 | C5 | H5 | 105.9° | 95.7° |
| H3 | C3 | O3 | HO3 | 58.0° | 56.6° |
| H3 | C3 | C4 | C5 | 139.4° | 80.3° |
| H3 | C3 | C4 | O4 | 97.9° | 160.9° |
| H3 | C3 | C4 | H4 | 18.4° | 38.4° |
| C5 | C4 | O4 | H4 | 120.8° | 122.7° |
| C5 | C4 | O4 | HO4 | 83.0° | 176.2° |
| C4 | C5 | N5 | H5 | 124.1° | 121.4° |
| C4 | C5 | N5 | HN5 | 98.5° | 62.9° |
| C4 | C5 | N5 | HN5A | 21.5° | 173.2° |
| O4 | C4 | C5 | N5 | 11.6° | 24.2° |
| O4 | C4 | C5 | H5 | 131.2° | 145.6° |
| H4 | C4 | O4 | HO4 | 156.2° | 61.1° |
| H4 | C4 | C5 | N5 | 104.7° | 98.4° |
| H4 | C4 | C5 | H5 | 14.9° | 23.0° |
| C5 | N5 | HN5 | HN5A | 120.0° | 123.9° |
| H5 | C5 | N5 | HN5 | 137.4° | 58.5° |
| H5 | C5 | N5 | HN5A | 102.6° | 65.3° |
