8YI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C05 | doub | 1.35Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.41Å | 1.35Å | Aromatic |
| C05 | N04 | sing | 1.36Å | 1.36Å | Aromatic |
| C07 | C08 | doub | 1.35Å | 1.37Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.52Å | |
| C09 | C03 | sing | 1.53Å | 1.52Å | |
| N04 | C08 | sing | 1.36Å | 1.35Å | Aromatic |
| N04 | C03 | sing | 1.47Å | 1.44Å | |
| N14 | C10 | sing | 1.37Å | 1.31Å | Aromatic |
| N14 | C13 | sing | 1.35Å | 1.34Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.36Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C13 | N12 | doub | 1.30Å | 1.34Å | Aromatic |
| C11 | N12 | sing | 1.34Å | 1.31Å | Aromatic |
| C02 | O15 | doub | 1.21Å | 1.26Å | |
| C02 | O01 | sing | 1.34Å | 1.26Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| N14 | H11 | sing | 0.97Å | 1.00Å | |
| O01 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C06 | C07 | 108.2° | 107.4° |
| C06 | C05 | N04 | 107.1° | 108.2° |
| C06 | C05 | H4 | 126.4° | 125.9° |
| C05 | C06 | H5 | 125.9° | 126.3° |
| C06 | C07 | C08 | 107.9° | 107.4° |
| C07 | C06 | H5 | 125.9° | 126.3° |
| C06 | C07 | H6 | 126.0° | 126.3° |
| C05 | N04 | C08 | 108.9° | 108.7° |
| C05 | N04 | C03 | 125.6° | 125.6° |
| N04 | C05 | H4 | 126.5° | 126.0° |
| C07 | C08 | N04 | 108.0° | 108.2° |
| C08 | C07 | H6 | 126.1° | 126.3° |
| C07 | C08 | H7 | 126.0° | 125.9° |
| C10 | C09 | C03 | 109.4° | 109.4° |
| C09 | C10 | N14 | 126.6° | 126.6° |
| C09 | C10 | C11 | 125.8° | 126.6° |
| C10 | C09 | H8 | 109.5° | 109.5° |
| C10 | C09 | H9 | 109.5° | 109.5° |
| C09 | C03 | N04 | 109.9° | 109.5° |
| C09 | C03 | C02 | 110.6° | 109.5° |
| C09 | C03 | H3 | 108.8° | 109.5° |
| C03 | C09 | H8 | 109.5° | 109.5° |
| C03 | C09 | H9 | 109.5° | 109.4° |
| C08 | N04 | C03 | 125.5° | 125.7° |
| N04 | C08 | H7 | 126.0° | 125.8° |
| N04 | C03 | C02 | 109.1° | 109.4° |
| N04 | C03 | H3 | 109.8° | 109.5° |
| C10 | N14 | C13 | 108.3° | 107.2° |
| N14 | C10 | C11 | 107.7° | 106.8° |
| C10 | N14 | H11 | 125.8° | 126.4° |
| N14 | C13 | N12 | 107.9° | 108.7° |
| N14 | C13 | H2 | 126.1° | 125.7° |
| C13 | N14 | H11 | 125.9° | 126.4° |
| C10 | C11 | N12 | 108.2° | 108.1° |
| C10 | C11 | H10 | 125.9° | 125.9° |
| C03 | C02 | O15 | 120.8° | 120.0° |
| C03 | C02 | O01 | 119.5° | 120.0° |
| C02 | C03 | H3 | 108.6° | 109.4° |
| C13 | N12 | C11 | 107.9° | 109.2° |
| N12 | C13 | H2 | 126.0° | 125.6° |
| N12 | C11 | H10 | 125.9° | 126.0° |
| O15 | C02 | O01 | 119.7° | 120.0° |
| C02 | O01 | H12 | 109.5° | 117.0° |
| H8 | C09 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C06 | C07 | H5 | 180.0° | 179.9° |
| C06 | C05 | N04 | H4 | 180.0° | 179.7° |
| C05 | C06 | C07 | C08 | 0.1° | 0.0° |
| C06 | C05 | N04 | C08 | 0.2° | 0.0° |
| C06 | C05 | N04 | C03 | 179.7° | 179.8° |
| C05 | C06 | C07 | H6 | 179.9° | 180.0° |
| C07 | C06 | C05 | N04 | 0.1° | 0.0° |
| C06 | C07 | C08 | H6 | 180.0° | 179.9° |
| C06 | C07 | C08 | N04 | 0.2° | 0.0° |
| C07 | C06 | C05 | H4 | 179.9° | 179.7° |
| C06 | C07 | C08 | H7 | 179.8° | 179.9° |
| C05 | N04 | C08 | C07 | 0.3° | 0.1° |
| C05 | N04 | C03 | C09 | 23.1° | 120.0° |
| C05 | N04 | C08 | C03 | 179.4° | 179.8° |
| C05 | N04 | C03 | C02 | 98.3° | 120.0° |
| C05 | N04 | C03 | H3 | 142.7° | 0.1° |
| N04 | C05 | C06 | H5 | 179.9° | 180.0° |
| C05 | N04 | C08 | H7 | 179.7° | 179.9° |
| C07 | C08 | N04 | H7 | 180.0° | 180.0° |
| C07 | C08 | N04 | C03 | 179.7° | 179.8° |
| C08 | C07 | C06 | H5 | 179.9° | 179.9° |
| C10 | C09 | C03 | H8 | 120.0° | 120.1° |
| C10 | C09 | C03 | H9 | 120.0° | 120.0° |
| C10 | C09 | C03 | N04 | 177.0° | 175.0° |
| C09 | C10 | N14 | C11 | 179.1° | 179.7° |
| C09 | C10 | N14 | C13 | 179.3° | 179.7° |
| C10 | C09 | C03 | C02 | 62.4° | 65.1° |
| C09 | C10 | C11 | N12 | 179.5° | 180.0° |
| C10 | C09 | C03 | H3 | 56.8° | 54.9° |
| C10 | C09 | H8 | H9 | 120.0° | 120.0° |
| C09 | C10 | C11 | H10 | 0.5° | 0.0° |
| C09 | C10 | N14 | H11 | 0.7° | 0.3° |
| C09 | C03 | N04 | C08 | 157.5° | 60.2° |
| C09 | C03 | N04 | C02 | 121.5° | 119.9° |
| C09 | C03 | N04 | H3 | 119.6° | 120.1° |
| C03 | C09 | C10 | N14 | 147.8° | 95.3° |
| C03 | C09 | C10 | C11 | 31.2° | 85.0° |
| C09 | C03 | C02 | H3 | 119.3° | 120.1° |
| C09 | C03 | C02 | O15 | 81.4° | 0.1° |
| C09 | C03 | C02 | O01 | 99.1° | 180.0° |
| C03 | C09 | H8 | H9 | 120.1° | 120.0° |
| C08 | N04 | C03 | C02 | 81.0° | 59.8° |
| C08 | N04 | C03 | H3 | 37.9° | 179.7° |
| C08 | N04 | C05 | H4 | 179.8° | 179.7° |
| N04 | C08 | C07 | H6 | 179.7° | 180.0° |
| N04 | C03 | C02 | H3 | 119.7° | 120.0° |
| N04 | C03 | C02 | O15 | 39.6° | 120.0° |
| N04 | C03 | C02 | O01 | 139.9° | 60.1° |
| C03 | N04 | C05 | H4 | 0.3° | 0.1° |
| C03 | N04 | C08 | H7 | 0.3° | 0.3° |
| N04 | C03 | C09 | H8 | 63.0° | 64.9° |
| N04 | C03 | C09 | H9 | 57.0° | 55.1° |
| C10 | N14 | C13 | H11 | 180.0° | 180.0° |
| C10 | N14 | C13 | N12 | 0.1° | 0.2° |
| N14 | C10 | C11 | N12 | 0.4° | 0.2° |
| C10 | N14 | C13 | H2 | 179.9° | 179.8° |
| N14 | C10 | C09 | H8 | 27.8° | 24.7° |
| N14 | C10 | C09 | H9 | 92.2° | 144.7° |
| N14 | C10 | C11 | H10 | 179.6° | 179.8° |
| C13 | N14 | C10 | C11 | 0.2° | 0.0° |
| N14 | C13 | N12 | H2 | 180.0° | 179.6° |
| N14 | C13 | N12 | C11 | 0.4° | 0.4° |
| C10 | C11 | N12 | C13 | 0.5° | 0.4° |
| C10 | C11 | N12 | H10 | 180.0° | 180.0° |
| C11 | C10 | C09 | H8 | 151.2° | 155.0° |
| C11 | C10 | C09 | H9 | 88.8° | 35.0° |
| C11 | C10 | N14 | H11 | 179.8° | 180.0° |
| C03 | C02 | O15 | O01 | 179.5° | 179.9° |
| C02 | C03 | C09 | H8 | 57.5° | 55.0° |
| C02 | C03 | C09 | H9 | 177.6° | 175.0° |
| C03 | C02 | O01 | H12 | 179.5° | 180.0° |
| C13 | N12 | C11 | H10 | 179.5° | 179.6° |
| N12 | C13 | N14 | H11 | 179.9° | 179.7° |
| C11 | N12 | C13 | H2 | 179.7° | 180.0° |
| O15 | C02 | C03 | H3 | 159.3° | 120.0° |
| O15 | C02 | O01 | H12 | 0.0° | 0.1° |
| O01 | C02 | C03 | H3 | 20.2° | 59.9° |
| H2 | C13 | N14 | H11 | 0.1° | 0.1° |
| H3 | C03 | C09 | H8 | 176.8° | 175.0° |
| H3 | C03 | C09 | H9 | 63.2° | 65.0° |
| H4 | C05 | C06 | H5 | 0.1° | 0.4° |
| H5 | C06 | C07 | H6 | 0.1° | 0.0° |
| H6 | C07 | C08 | H7 | 0.3° | 0.0° |
