RYG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C1 | C4 | doub | 1.35Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.44Å | Aromatic |
| O3 | C11 | doub | 1.21Å | 1.23Å | |
| C4 | O1 | sing | 1.34Å | 1.38Å | Aromatic |
| C11 | N2 | sing | 1.33Å | 1.33Å | |
| C11 | C6 | sing | 1.51Å | 1.53Å | |
| C3 | O1 | sing | 1.35Å | 1.39Å | Aromatic |
| C3 | C5 | sing | 1.47Å | 1.40Å | |
| N1 | C5 | sing | 1.35Å | 1.33Å | |
| N1 | C6 | sing | 1.46Å | 1.47Å | |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| C5 | O2 | doub | 1.22Å | 1.23Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.52Å | 1.53Å | |
| C8 | C9 | sing | 1.52Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 109.3° | 107.1° |
| C1 | C2 | C3 | 105.2° | 106.7° |
| C2 | C1 | H10 | 125.3° | 126.5° |
| C1 | C2 | H11 | 127.4° | 126.6° |
| C1 | C4 | O1 | 108.4° | 108.7° |
| C1 | C4 | H2 | 125.8° | 125.7° |
| C4 | C1 | H10 | 125.4° | 126.4° |
| C2 | C3 | O1 | 107.8° | 108.1° |
| C2 | C3 | C5 | 129.7° | 126.0° |
| C3 | C2 | H11 | 127.4° | 126.7° |
| O3 | C11 | N2 | 122.3° | 119.9° |
| O3 | C11 | C6 | 119.6° | 119.8° |
| C4 | O1 | C3 | 109.0° | 109.4° |
| O1 | C4 | H2 | 125.8° | 125.6° |
| N2 | C11 | C6 | 118.1° | 120.2° |
| C11 | N2 | C10 | 126.3° | 120.4° |
| C11 | N2 | H14 | 116.9° | 119.8° |
| C11 | C6 | N1 | 108.3° | 109.7° |
| C11 | C6 | C7 | 114.4° | 108.5° |
| C11 | C6 | H3 | 107.4° | 109.8° |
| O1 | C3 | C5 | 122.5° | 126.0° |
| C3 | C5 | N1 | 119.5° | 120.0° |
| C3 | C5 | O2 | 118.9° | 120.0° |
| C5 | N1 | C6 | 122.0° | 120.0° |
| N1 | C5 | O2 | 121.5° | 120.0° |
| C5 | N1 | H1 | 119.0° | 120.0° |
| N1 | C6 | C7 | 111.0° | 109.6° |
| C6 | N1 | H1 | 119.0° | 120.0° |
| N1 | C6 | H3 | 108.2° | 109.7° |
| N2 | C10 | C9 | 113.7° | 108.7° |
| N2 | C10 | H8 | 108.4° | 109.6° |
| N2 | C10 | H9 | 108.4° | 109.7° |
| C10 | N2 | H14 | 116.9° | 119.8° |
| C6 | C7 | C8 | 117.5° | 110.8° |
| C7 | C6 | H3 | 107.3° | 109.6° |
| C6 | C7 | H4 | 107.4° | 109.2° |
| C6 | C7 | H5 | 107.5° | 109.2° |
| C7 | C8 | C9 | 115.8° | 113.8° |
| C8 | C7 | H4 | 107.4° | 109.2° |
| C8 | C7 | H5 | 107.4° | 109.2° |
| C7 | C8 | H6 | 107.9° | 108.6° |
| C7 | C8 | H7 | 107.9° | 108.6° |
| C8 | C9 | C10 | 115.5° | 110.9° |
| C9 | C8 | H6 | 107.9° | 108.6° |
| C9 | C8 | H7 | 107.9° | 108.7° |
| C8 | C9 | H12 | 108.0° | 109.3° |
| C8 | C9 | H13 | 108.0° | 109.2° |
| C9 | C10 | H8 | 108.4° | 109.6° |
| C9 | C10 | H9 | 108.4° | 109.6° |
| C10 | C9 | H12 | 107.9° | 109.2° |
| C10 | C9 | H13 | 107.9° | 109.2° |
| H4 | C7 | H5 | 109.5° | 109.2° |
| H6 | C8 | H7 | 109.5° | 108.5° |
| H8 | C10 | H9 | 109.5° | 109.6° |
| H12 | C9 | H13 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | H10 | 180.0° | 180.0° |
| C1 | C2 | C3 | H11 | 180.0° | 180.0° |
| C2 | C1 | C4 | O1 | 5.3° | 0.0° |
| C1 | C2 | C3 | O1 | 4.1° | 0.0° |
| C1 | C2 | C3 | C5 | 174.6° | 180.0° |
| C2 | C1 | C4 | H2 | 174.7° | 179.8° |
| C4 | C1 | C2 | C3 | 5.8° | 0.0° |
| C1 | C4 | O1 | H2 | 180.0° | 179.8° |
| C1 | C4 | O1 | C3 | 2.6° | 0.0° |
| C4 | C1 | C2 | H11 | 174.3° | 180.0° |
| C2 | C3 | O1 | C4 | 1.0° | 0.0° |
| C2 | C3 | O1 | C5 | 178.8° | 180.0° |
| C2 | C3 | C5 | N1 | 4.2° | 180.0° |
| C2 | C3 | C5 | O2 | 173.5° | 0.0° |
| C3 | C2 | C1 | H10 | 174.2° | 180.0° |
| O3 | C11 | N2 | C6 | 179.6° | 180.0° |
| O3 | C11 | C6 | N1 | 4.8° | 10.9° |
| O3 | C11 | N2 | C10 | 177.4° | 179.7° |
| O3 | C11 | C6 | C7 | 119.6° | 108.8° |
| O3 | C11 | C6 | H3 | 121.4° | 131.5° |
| O3 | C11 | N2 | H14 | 2.6° | 0.3° |
| C4 | O1 | C3 | C5 | 177.8° | 180.0° |
| O1 | C4 | C1 | H10 | 174.6° | 180.0° |
| N2 | C11 | C6 | N1 | 174.8° | 169.1° |
| C11 | N2 | C10 | H14 | 180.0° | 180.0° |
| N2 | C11 | C6 | C7 | 60.9° | 71.2° |
| C11 | N2 | C10 | C9 | 68.7° | 71.9° |
| N2 | C11 | C6 | H3 | 58.2° | 48.5° |
| C11 | N2 | C10 | H8 | 51.9° | 168.3° |
| C11 | N2 | C10 | H9 | 170.7° | 48.0° |
| C11 | C6 | N1 | C5 | 177.7° | 86.0° |
| C11 | C6 | N1 | C7 | 126.4° | 119.0° |
| C11 | C6 | N1 | H3 | 116.1° | 120.6° |
| C6 | C11 | N2 | C10 | 2.2° | 0.2° |
| C11 | C6 | C7 | H3 | 119.1° | 119.8° |
| C11 | C6 | C7 | C8 | 20.8° | 84.9° |
| C11 | C6 | N1 | H1 | 2.3° | 93.7° |
| C11 | C6 | C7 | H4 | 100.4° | 35.5° |
| C11 | C6 | C7 | H5 | 141.9° | 154.8° |
| C6 | C11 | N2 | H14 | 177.8° | 179.8° |
| O1 | C3 | C5 | N1 | 177.3° | 0.1° |
| O1 | C3 | C5 | O2 | 5.0° | 180.0° |
| C3 | O1 | C4 | H2 | 177.4° | 179.8° |
| O1 | C3 | C2 | H11 | 175.9° | 180.0° |
| C3 | C5 | N1 | O2 | 177.6° | 180.0° |
| C3 | C5 | N1 | C6 | 172.9° | 180.0° |
| C3 | C5 | N1 | H1 | 7.1° | 0.2° |
| C5 | C3 | C2 | H11 | 5.4° | 0.0° |
| C5 | N1 | C6 | H1 | 180.0° | 179.8° |
| C5 | N1 | C6 | C7 | 55.9° | 155.0° |
| C5 | N1 | C6 | H3 | 61.6° | 34.6° |
| C6 | N1 | C5 | O2 | 4.7° | 0.0° |
| N1 | C6 | C7 | H3 | 118.0° | 120.4° |
| N1 | C6 | C7 | C8 | 143.7° | 155.4° |
| N1 | C6 | C7 | H4 | 22.6° | 84.3° |
| N1 | C6 | C7 | H5 | 95.1° | 35.0° |
| N2 | C10 | C9 | C8 | 27.1° | 86.5° |
| N2 | C10 | C9 | H8 | 120.6° | 119.7° |
| N2 | C10 | C9 | H9 | 120.6° | 119.9° |
| N2 | C10 | H8 | H9 | 118.1° | 120.5° |
| N2 | C10 | C9 | H12 | 93.8° | 33.9° |
| N2 | C10 | C9 | H13 | 148.0° | 153.2° |
| O2 | C5 | N1 | H1 | 175.3° | 179.7° |
| C6 | C7 | C8 | H4 | 121.2° | 120.3° |
| C6 | C7 | C8 | H5 | 121.2° | 120.3° |
| C6 | C7 | C8 | C9 | 58.5° | 66.8° |
| C7 | C6 | N1 | H1 | 124.1° | 25.3° |
| C6 | C7 | H4 | H5 | 116.4° | 119.3° |
| C6 | C7 | C8 | H6 | 62.4° | 172.1° |
| C6 | C7 | C8 | H7 | 179.4° | 54.3° |
| C7 | C8 | C9 | H6 | 120.9° | 121.1° |
| C7 | C8 | C9 | H7 | 120.9° | 121.1° |
| C7 | C8 | C9 | C10 | 53.6° | 67.0° |
| C8 | C7 | C6 | H3 | 98.3° | 35.0° |
| C8 | C7 | H4 | H5 | 116.3° | 119.4° |
| C7 | C8 | H6 | H7 | 117.2° | 117.8° |
| C7 | C8 | C9 | H12 | 174.5° | 53.3° |
| C7 | C8 | C9 | H13 | 67.2° | 172.7° |
| C8 | C9 | C10 | H12 | 120.9° | 120.4° |
| C8 | C9 | C10 | H13 | 120.9° | 120.3° |
| C9 | C8 | C7 | H4 | 179.7° | 53.5° |
| C9 | C8 | C7 | H5 | 62.6° | 172.8° |
| C9 | C8 | H6 | H7 | 117.1° | 117.9° |
| C8 | C9 | C10 | H8 | 93.6° | 153.8° |
| C8 | C9 | C10 | H9 | 147.7° | 33.4° |
| C8 | C9 | H12 | H13 | 117.3° | 119.3° |
| C10 | C9 | C8 | H6 | 67.3° | 171.9° |
| C10 | C9 | C8 | H7 | 174.6° | 54.1° |
| C9 | C10 | H8 | H9 | 118.0° | 120.4° |
| C10 | C9 | H12 | H13 | 117.2° | 119.3° |
| C9 | C10 | N2 | H14 | 111.3° | 108.1° |
| H1 | N1 | C6 | H3 | 118.4° | 145.6° |
| H2 | C4 | C1 | H10 | 5.4° | 0.2° |
| H3 | C6 | C7 | H4 | 140.6° | 155.3° |
| H3 | C6 | C7 | H5 | 22.9° | 85.4° |
| H4 | C7 | C8 | H6 | 58.8° | 67.6° |
| H4 | C7 | C8 | H7 | 59.4° | 174.6° |
| H5 | C7 | C8 | H6 | 176.5° | 51.8° |
| H5 | C7 | C8 | H7 | 58.3° | 66.0° |
| H6 | C8 | C9 | H12 | 53.6° | 67.8° |
| H6 | C8 | C9 | H13 | 171.8° | 51.5° |
| H7 | C8 | C9 | H12 | 64.6° | 174.4° |
| H7 | C8 | C9 | H13 | 53.7° | 66.3° |
| H8 | C10 | C9 | H12 | 145.6° | 85.8° |
| H8 | C10 | C9 | H13 | 27.3° | 33.5° |
| H8 | C10 | N2 | H14 | 128.1° | 11.7° |
| H9 | C10 | C9 | H12 | 26.8° | 153.9° |
| H9 | C10 | C9 | H13 | 91.4° | 86.9° |
| H9 | C10 | N2 | H14 | 9.3° | 132.1° |
| H10 | C1 | C2 | H11 | 5.8° | 0.0° |
