U8X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| O01 | C02 | sing | 1.36Å | 1.40Å | |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.35Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | N10 | sing | 1.35Å | 1.33Å | Aromatic |
| O08 | C07 | doub | 1.21Å | 1.19Å | |
| C05 | N06 | sing | 1.40Å | 1.45Å | |
| C05 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | N14 | doub | 1.31Å | 1.33Å | Aromatic |
| C07 | N06 | sing | 1.35Å | 1.45Å | |
| C07 | C09 | sing | 1.51Å | 1.53Å | |
| N10 | N14 | sing | 1.40Å | 1.37Å | Aromatic |
| N10 | C09 | sing | 1.46Å | 1.45Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| N06 | H10 | sing | 0.97Å | 1.00Å | |
| O01 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | C02 | 120.1° | 120.0° |
| C03 | C04 | C05 | 119.0° | 120.0° |
| C04 | C03 | H3 | 119.9° | 120.0° |
| C03 | C04 | H4 | 120.5° | 120.0° |
| C03 | C02 | O01 | 121.4° | 120.0° |
| C03 | C02 | C16 | 120.3° | 120.0° |
| C02 | C03 | H3 | 120.0° | 120.0° |
| O01 | C02 | C16 | 118.3° | 120.0° |
| C02 | O01 | H11 | 109.5° | 113.9° |
| C04 | C05 | N06 | 124.3° | 120.0° |
| C04 | C05 | C15 | 120.3° | 120.0° |
| C05 | C04 | H4 | 120.5° | 120.0° |
| C02 | C16 | C15 | 119.6° | 120.0° |
| C02 | C16 | H9 | 120.2° | 120.0° |
| C11 | C12 | C13 | 107.3° | 107.9° |
| C12 | C11 | N10 | 106.7° | 107.8° |
| C12 | C11 | H7 | 126.7° | 126.1° |
| C11 | C12 | H8 | 126.3° | 126.0° |
| C12 | C13 | N14 | 107.9° | 108.2° |
| C12 | C13 | H1 | 126.1° | 125.9° |
| C13 | C12 | H8 | 126.3° | 126.0° |
| C11 | N10 | N14 | 110.1° | 107.9° |
| C11 | N10 | C09 | 123.9° | 126.1° |
| N10 | C11 | H7 | 126.6° | 126.1° |
| O08 | C07 | N06 | 122.7° | 120.0° |
| O08 | C07 | C09 | 123.8° | 120.0° |
| N06 | C05 | C15 | 115.4° | 120.1° |
| C05 | N06 | C07 | 128.8° | 120.0° |
| C05 | N06 | H10 | 115.6° | 120.0° |
| C05 | C15 | C16 | 120.7° | 120.0° |
| C05 | C15 | H2 | 119.6° | 120.0° |
| C16 | C15 | H2 | 119.7° | 120.0° |
| C15 | C16 | H9 | 120.2° | 120.0° |
| C13 | N14 | N10 | 107.9° | 108.2° |
| N14 | C13 | H1 | 126.0° | 125.9° |
| N06 | C07 | C09 | 113.5° | 120.0° |
| C07 | N06 | H10 | 115.6° | 120.0° |
| C07 | C09 | N10 | 116.5° | 109.5° |
| C07 | C09 | H5 | 107.7° | 109.5° |
| C07 | C09 | H6 | 107.7° | 109.5° |
| N14 | N10 | C09 | 126.0° | 126.0° |
| N10 | C09 | H5 | 107.7° | 109.4° |
| N10 | C09 | H6 | 107.7° | 109.5° |
| H5 | C09 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | C02 | H3 | 180.0° | 179.8° |
| C04 | C03 | C02 | O01 | 179.6° | 179.7° |
| C03 | C04 | C05 | H4 | 180.0° | 179.7° |
| C04 | C03 | C02 | C16 | 0.4° | 0.2° |
| C03 | C04 | C05 | N06 | 178.8° | 180.0° |
| C03 | C04 | C05 | C15 | 0.7° | 0.1° |
| C03 | C02 | O01 | C16 | 179.9° | 179.9° |
| C02 | C03 | C04 | C05 | 0.5° | 0.3° |
| C03 | C02 | C16 | C15 | 0.3° | 0.0° |
| C02 | C03 | C04 | H4 | 179.5° | 179.9° |
| C03 | C02 | C16 | H9 | 179.7° | 179.9° |
| C03 | C02 | O01 | H11 | 180.0° | 90.1° |
| O01 | C02 | C16 | C15 | 179.6° | 179.9° |
| O01 | C02 | C03 | H3 | 0.4° | 0.1° |
| O01 | C02 | C16 | H9 | 0.4° | 0.0° |
| C04 | C05 | N06 | C15 | 178.2° | 180.0° |
| C04 | C05 | C15 | C16 | 0.7° | 0.2° |
| C04 | C05 | N06 | C07 | 15.0° | 33.4° |
| C04 | C05 | C15 | H2 | 179.3° | 180.0° |
| C05 | C04 | C03 | H3 | 179.5° | 179.9° |
| C04 | C05 | N06 | H10 | 165.0° | 146.6° |
| C02 | C16 | C15 | C05 | 0.5° | 0.2° |
| C02 | C16 | C15 | H9 | 180.0° | 180.0° |
| C02 | C16 | C15 | H2 | 179.5° | 180.0° |
| C16 | C02 | C03 | H3 | 179.6° | 180.0° |
| C16 | C02 | O01 | H11 | 0.0° | 90.1° |
| C11 | C12 | C13 | H8 | 180.0° | 180.0° |
| C12 | C11 | N10 | H7 | 180.0° | 179.6° |
| C11 | C12 | C13 | N14 | 0.3° | 0.0° |
| C12 | C11 | N10 | N14 | 0.0° | 0.4° |
| C12 | C11 | N10 | C09 | 178.8° | 179.6° |
| C11 | C12 | C13 | H1 | 179.7° | 179.8° |
| C13 | C12 | C11 | N10 | 0.2° | 0.3° |
| C12 | C13 | N14 | H1 | 180.0° | 179.8° |
| C12 | C13 | N14 | N10 | 0.3° | 0.2° |
| C13 | C12 | C11 | H7 | 179.8° | 179.8° |
| C11 | N10 | N14 | C13 | 0.1° | 0.4° |
| C11 | N10 | C09 | C07 | 129.9° | 125.0° |
| C11 | N10 | N14 | C09 | 178.8° | 180.0° |
| C11 | N10 | C09 | H5 | 109.0° | 5.0° |
| C11 | N10 | C09 | H6 | 8.9° | 114.9° |
| N10 | C11 | C12 | H8 | 179.8° | 179.8° |
| O08 | C07 | N06 | C05 | 1.4° | 5.2° |
| O08 | C07 | N06 | C09 | 179.3° | 179.9° |
| O08 | C07 | C09 | N10 | 17.8° | 0.1° |
| O08 | C07 | C09 | H5 | 103.3° | 120.0° |
| O08 | C07 | C09 | H6 | 138.8° | 120.0° |
| O08 | C07 | N06 | H10 | 178.5° | 174.8° |
| N06 | C05 | C15 | C16 | 178.9° | 179.8° |
| C05 | N06 | C07 | H10 | 180.0° | 180.0° |
| C05 | N06 | C07 | C09 | 179.2° | 174.7° |
| N06 | C05 | C15 | H2 | 1.1° | 0.0° |
| N06 | C05 | C04 | H4 | 1.2° | 0.3° |
| C05 | C15 | C16 | H2 | 180.0° | 179.8° |
| C15 | C05 | N06 | C07 | 166.8° | 146.6° |
| C15 | C05 | C04 | H4 | 179.3° | 179.8° |
| C05 | C15 | C16 | H9 | 179.5° | 179.8° |
| C15 | C05 | N06 | H10 | 13.1° | 33.3° |
| C13 | N14 | N10 | C09 | 178.9° | 179.6° |
| N14 | C13 | C12 | H8 | 179.7° | 180.0° |
| N06 | C07 | C09 | N10 | 162.9° | 180.0° |
| N06 | C07 | C09 | H5 | 76.1° | 60.1° |
| N06 | C07 | C09 | H6 | 41.9° | 59.9° |
| C07 | C09 | N10 | N14 | 51.4° | 55.1° |
| C07 | C09 | N10 | H5 | 121.0° | 120.0° |
| C07 | C09 | N10 | H6 | 121.0° | 120.1° |
| C07 | C09 | H5 | H6 | 116.8° | 120.0° |
| C09 | C07 | N06 | H10 | 0.8° | 5.3° |
| N10 | N14 | C13 | H1 | 179.7° | 180.0° |
| N14 | N10 | C09 | H5 | 69.6° | 175.0° |
| N14 | N10 | C09 | H6 | 172.4° | 65.0° |
| N14 | N10 | C11 | H7 | 180.0° | 179.9° |
| N10 | C09 | H5 | H6 | 116.8° | 120.0° |
| C09 | N10 | C11 | H7 | 1.2° | 0.0° |
| H1 | C13 | C12 | H8 | 0.3° | 0.2° |
| H2 | C15 | C16 | H9 | 0.5° | 0.1° |
| H3 | C03 | C04 | H4 | 0.5° | 0.3° |
| H7 | C11 | C12 | H8 | 0.2° | 0.2° |
