UO8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | N09 | doub | 1.30Å | 1.30Å | Aromatic |
| C08 | N07 | sing | 1.36Å | 1.37Å | Aromatic |
| N09 | C10 | sing | 1.35Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| N07 | C04 | sing | 1.47Å | 1.48Å | |
| N07 | C11 | sing | 1.36Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.47Å | 1.40Å | |
| S16 | C15 | doub | 1.71Å | 1.67Å | |
| C01 | C06 | sing | 1.53Å | 1.51Å | |
| C11 | N12 | sing | 1.37Å | 1.37Å | |
| C15 | N14 | sing | 1.34Å | 1.37Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| N12 | C13 | sing | 1.36Å | 1.37Å | |
| N14 | C13 | doub | 1.32Å | 1.33Å | |
| C13 | N17 | sing | 1.37Å | 1.33Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å | |
| N12 | H13 | sing | 0.97Å | 1.00Å | |
| N17 | H14 | sing | 0.97Å | 1.00Å | |
| N17 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N09 | C08 | N07 | 113.3° | 109.6° |
| C08 | N09 | C10 | 104.7° | 109.1° |
| N09 | C08 | H12 | 123.3° | 125.2° |
| C08 | N07 | C04 | 125.9° | 126.3° |
| C08 | N07 | C11 | 105.8° | 107.5° |
| N07 | C08 | H12 | 123.3° | 125.2° |
| N09 | C10 | C11 | 109.9° | 107.4° |
| N09 | C10 | C15 | 131.3° | 134.5° |
| C03 | C02 | C01 | 112.2° | 109.4° |
| C02 | C03 | C04 | 110.9° | 109.5° |
| C03 | C02 | H3 | 108.8° | 109.5° |
| C03 | C02 | H4 | 108.8° | 109.5° |
| C02 | C03 | H5 | 109.1° | 109.5° |
| C02 | C03 | H6 | 109.2° | 109.5° |
| C02 | C01 | C06 | 111.7° | 109.5° |
| C02 | C01 | H1 | 108.9° | 109.4° |
| C02 | C01 | H2 | 108.9° | 109.4° |
| C01 | C02 | H3 | 108.8° | 109.5° |
| C01 | C02 | H4 | 108.8° | 109.4° |
| C03 | C04 | N07 | 112.2° | 109.5° |
| C03 | C04 | C05 | 112.9° | 109.5° |
| C04 | C03 | H5 | 109.1° | 109.5° |
| C04 | C03 | H6 | 109.1° | 109.4° |
| C03 | C04 | H7 | 106.1° | 109.4° |
| C04 | N07 | C11 | 128.4° | 126.2° |
| N07 | C04 | C05 | 112.3° | 109.5° |
| N07 | C04 | H7 | 106.6° | 109.5° |
| N07 | C11 | C10 | 106.3° | 106.4° |
| N07 | C11 | N12 | 129.8° | 134.7° |
| C04 | C05 | C06 | 111.0° | 109.5° |
| C05 | C04 | H7 | 106.2° | 109.5° |
| C04 | C05 | H8 | 109.1° | 109.5° |
| C04 | C05 | H9 | 109.1° | 109.5° |
| C11 | C10 | C15 | 118.8° | 118.1° |
| C10 | C11 | N12 | 123.9° | 118.9° |
| C10 | C15 | S16 | 124.1° | 120.7° |
| C10 | C15 | N14 | 116.6° | 118.6° |
| S16 | C15 | N14 | 119.2° | 120.7° |
| C01 | C06 | C05 | 111.8° | 109.5° |
| C06 | C01 | H1 | 108.9° | 109.5° |
| C06 | C01 | H2 | 108.9° | 109.5° |
| C01 | C06 | H10 | 108.9° | 109.4° |
| C01 | C06 | H11 | 108.9° | 109.5° |
| C11 | N12 | C13 | 114.8° | 120.5° |
| C11 | N12 | H13 | 122.6° | 119.7° |
| C15 | N14 | C13 | 122.6° | 121.4° |
| C06 | C05 | H8 | 109.1° | 109.5° |
| C06 | C05 | H9 | 109.1° | 109.4° |
| C05 | C06 | H10 | 108.9° | 109.5° |
| C05 | C06 | H11 | 108.9° | 109.5° |
| N12 | C13 | N14 | 123.3° | 122.5° |
| N12 | C13 | N17 | 117.2° | 118.7° |
| C13 | N12 | H13 | 122.6° | 119.8° |
| N14 | C13 | N17 | 119.5° | 118.8° |
| C13 | N17 | H14 | 120.0° | 120.0° |
| C13 | N17 | H15 | 120.0° | 120.0° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H3 | C02 | H4 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H8 | C05 | H9 | 109.4° | 109.5° |
| H10 | C06 | H11 | 109.5° | 109.5° |
| H14 | N17 | H15 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | C08 | N07 | H12 | 180.0° | 179.8° |
| N09 | C08 | N07 | C04 | 177.7° | 180.0° |
| N09 | C08 | N07 | C11 | 0.6° | 0.0° |
| C08 | N09 | C10 | C11 | 0.1° | 0.0° |
| C08 | N09 | C10 | C15 | 179.0° | 180.0° |
| N07 | C08 | N09 | C10 | 0.4° | 0.0° |
| C08 | N07 | C04 | C03 | 117.1° | 60.0° |
| C08 | N07 | C04 | C11 | 177.9° | 179.9° |
| C08 | N07 | C04 | C05 | 114.5° | 60.0° |
| C08 | N07 | C11 | C10 | 0.6° | 0.0° |
| C08 | N07 | C11 | N12 | 178.3° | 180.0° |
| C08 | N07 | C04 | H7 | 1.4° | 180.0° |
| N09 | C10 | C11 | N07 | 0.5° | 0.0° |
| N09 | C10 | C11 | C15 | 179.1° | 180.0° |
| N09 | C10 | C15 | S16 | 1.7° | 0.1° |
| N09 | C10 | C11 | N12 | 178.6° | 180.0° |
| N09 | C10 | C15 | N14 | 178.6° | 179.9° |
| C10 | N09 | C08 | H12 | 179.6° | 179.8° |
| C03 | C02 | C01 | H3 | 120.4° | 120.0° |
| C03 | C02 | C01 | H4 | 120.4° | 120.0° |
| C02 | C03 | C04 | H5 | 120.2° | 120.1° |
| C02 | C03 | C04 | H6 | 120.2° | 120.0° |
| C02 | C03 | C04 | N07 | 169.3° | 180.0° |
| C02 | C03 | C04 | C05 | 62.6° | 60.0° |
| C03 | C02 | C01 | C06 | 28.2° | 60.0° |
| C03 | C02 | C01 | H1 | 92.1° | 180.0° |
| C03 | C02 | C01 | H2 | 148.6° | 60.0° |
| C03 | C02 | H3 | H4 | 118.8° | 120.1° |
| C02 | C03 | H5 | H6 | 119.4° | 120.0° |
| C02 | C03 | C04 | H7 | 53.3° | 60.0° |
| C01 | C02 | C03 | C04 | 31.6° | 60.0° |
| C02 | C01 | C06 | H1 | 120.3° | 120.0° |
| C02 | C01 | C06 | H2 | 120.4° | 120.0° |
| C02 | C01 | C06 | C05 | 63.8° | 60.0° |
| C02 | C01 | H1 | H2 | 119.0° | 119.9° |
| C01 | C02 | H3 | H4 | 118.8° | 120.0° |
| C01 | C02 | C03 | H5 | 88.6° | 60.0° |
| C01 | C02 | C03 | H6 | 151.8° | 180.0° |
| C02 | C01 | C06 | H10 | 175.9° | 60.0° |
| C02 | C01 | C06 | H11 | 56.6° | 180.0° |
| C03 | C04 | N07 | C05 | 128.4° | 120.0° |
| C03 | C04 | N07 | H7 | 115.7° | 120.0° |
| C03 | C04 | N07 | C11 | 60.8° | 120.0° |
| C03 | C04 | C05 | H7 | 115.9° | 120.0° |
| C03 | C04 | C05 | C06 | 27.7° | 60.0° |
| C04 | C03 | C02 | H3 | 88.8° | 180.0° |
| C04 | C03 | C02 | H4 | 152.0° | 60.0° |
| C04 | C03 | H5 | H6 | 119.3° | 119.9° |
| C03 | C04 | C05 | H8 | 92.6° | 60.0° |
| C03 | C04 | C05 | H9 | 148.0° | 180.0° |
| N07 | C04 | C05 | H7 | 116.1° | 120.1° |
| C04 | N07 | C11 | C10 | 177.6° | 180.0° |
| C04 | N07 | C11 | N12 | 3.4° | 0.0° |
| N07 | C04 | C05 | C06 | 155.7° | 180.0° |
| N07 | C04 | C03 | H5 | 70.5° | 60.0° |
| N07 | C04 | C03 | H6 | 49.0° | 60.0° |
| N07 | C04 | C05 | H8 | 35.5° | 59.9° |
| N07 | C04 | C05 | H9 | 84.0° | 60.1° |
| C04 | N07 | C08 | H12 | 2.3° | 0.2° |
| C11 | N07 | C04 | C05 | 67.6° | 120.0° |
| N07 | C11 | C10 | N12 | 179.1° | 180.0° |
| N07 | C11 | C10 | C15 | 179.5° | 180.0° |
| N07 | C11 | N12 | C13 | 179.4° | 180.0° |
| C11 | N07 | C04 | H7 | 176.6° | 0.1° |
| C11 | N07 | C08 | H12 | 179.4° | 179.8° |
| N07 | C11 | N12 | H13 | 0.6° | 0.0° |
| C04 | C05 | C06 | C01 | 33.1° | 60.0° |
| C04 | C05 | C06 | H8 | 120.3° | 120.0° |
| C04 | C05 | C06 | H9 | 120.3° | 120.0° |
| C05 | C04 | C03 | H5 | 57.6° | 60.0° |
| C05 | C04 | C03 | H6 | 177.2° | 180.0° |
| C04 | C05 | H8 | H9 | 119.3° | 120.0° |
| C04 | C05 | C06 | H10 | 153.5° | 60.0° |
| C04 | C05 | C06 | H11 | 87.2° | 180.0° |
| C11 | C10 | C15 | S16 | 179.4° | 180.0° |
| C11 | C10 | C15 | N14 | 0.2° | 0.0° |
| C10 | C11 | N12 | C13 | 0.6° | 0.0° |
| C10 | C11 | N12 | H13 | 179.4° | 180.0° |
| C10 | C15 | S16 | N14 | 179.6° | 180.0° |
| C15 | C10 | C11 | N12 | 0.5° | 0.0° |
| C10 | C15 | N14 | C13 | 0.2° | 0.0° |
| S16 | C15 | N14 | C13 | 179.5° | 180.0° |
| C01 | C06 | C05 | H10 | 120.3° | 120.0° |
| C01 | C06 | C05 | H11 | 120.4° | 120.0° |
| C06 | C01 | H1 | H2 | 119.0° | 120.0° |
| C06 | C01 | C02 | H3 | 148.6° | 180.0° |
| C06 | C01 | C02 | H4 | 92.2° | 60.0° |
| C01 | C06 | C05 | H8 | 153.4° | 60.0° |
| C01 | C06 | C05 | H9 | 87.1° | 180.0° |
| C01 | C06 | H10 | H11 | 118.9° | 120.0° |
| C11 | N12 | C13 | H13 | 180.0° | 180.0° |
| C11 | N12 | C13 | N14 | 0.5° | 0.0° |
| C11 | N12 | C13 | N17 | 179.3° | 180.0° |
| C15 | N14 | C13 | N12 | 0.4° | 0.0° |
| C15 | N14 | C13 | N17 | 179.4° | 180.0° |
| C05 | C06 | C01 | H1 | 56.5° | 180.0° |
| C05 | C06 | C01 | H2 | 175.8° | 60.0° |
| C06 | C05 | C04 | H7 | 88.2° | 59.9° |
| C06 | C05 | H8 | H9 | 119.3° | 120.0° |
| C05 | C06 | H10 | H11 | 118.9° | 120.0° |
| N12 | C13 | N14 | N17 | 179.8° | 180.0° |
| N12 | C13 | N17 | H14 | 179.8° | 0.0° |
| N12 | C13 | N17 | H15 | 0.2° | 180.0° |
| N14 | C13 | N12 | H13 | 179.5° | 180.0° |
| N14 | C13 | N17 | H14 | 0.0° | 180.0° |
| N14 | C13 | N17 | H15 | 180.0° | 0.0° |
| N17 | C13 | N12 | H13 | 0.7° | 0.0° |
| C13 | N17 | H14 | H15 | 180.0° | 180.0° |
| H1 | C01 | C02 | H3 | 28.3° | 60.0° |
| H1 | C01 | C02 | H4 | 147.5° | 60.1° |
| H1 | C01 | C06 | H10 | 63.8° | 60.0° |
| H1 | C01 | C06 | H11 | 176.9° | 60.0° |
| H2 | C01 | C02 | H3 | 91.0° | 60.0° |
| H2 | C01 | C02 | H4 | 28.2° | 180.0° |
| H2 | C01 | C06 | H10 | 55.5° | 180.0° |
| H2 | C01 | C06 | H11 | 63.8° | 60.0° |
| H3 | C02 | C03 | H5 | 151.0° | 59.9° |
| H3 | C02 | C03 | H6 | 31.4° | 60.1° |
| H4 | C02 | C03 | H5 | 31.8° | 180.0° |
| H4 | C02 | C03 | H6 | 87.8° | 60.0° |
| H5 | C03 | C04 | H7 | 173.5° | 180.0° |
| H6 | C03 | C04 | H7 | 66.9° | 60.0° |
| H7 | C04 | C05 | H8 | 151.6° | 180.0° |
| H7 | C04 | C05 | H9 | 32.1° | 60.0° |
| H8 | C05 | C06 | H10 | 86.3° | 180.0° |
| H8 | C05 | C06 | H11 | 33.0° | 59.9° |
| H9 | C05 | C06 | H10 | 33.2° | 60.0° |
| H9 | C05 | C06 | H11 | 152.5° | 60.0° |
