UX2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL8 | C07 | sing | 1.74Å | 1.76Å | |
| C19 | O20 | sing | 1.34Å | 1.35Å | Aromatic |
| C19 | C18 | doub | 1.35Å | 1.39Å | Aromatic |
| O20 | C16 | sing | 1.35Å | 1.34Å | Aromatic |
| C07 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| N12 | C13 | sing | 1.34Å | 1.34Å | Aromatic |
| N12 | C11 | doub | 1.31Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.41Å | 1.38Å | Aromatic |
| C16 | C13 | sing | 1.48Å | 1.51Å | |
| C16 | C17 | doub | 1.36Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.37Å | 1.37Å | Aromatic |
| C13 | N14 | doub | 1.32Å | 1.30Å | Aromatic |
| C10 | C11 | sing | 1.47Å | 1.43Å | Aromatic |
| C10 | C04 | doub | 1.41Å | 1.35Å | Aromatic |
| C11 | N15 | sing | 1.37Å | 1.27Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.41Å | Aromatic |
| C04 | N03 | sing | 1.36Å | 1.37Å | Aromatic |
| N14 | N15 | sing | 1.40Å | 1.36Å | Aromatic |
| N15 | C02 | sing | 1.37Å | 1.36Å | Aromatic |
| N03 | C02 | doub | 1.31Å | 1.33Å | Aromatic |
| C02 | N01 | sing | 1.37Å | 1.43Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| N01 | H7 | sing | 0.97Å | 1.00Å | |
| N01 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL8 | C07 | C09 | 121.0° | 119.7° |
| CL8 | C07 | C06 | 117.3° | 119.7° |
| O20 | C19 | C18 | 107.9° | 108.7° |
| C19 | O20 | C16 | 109.0° | 109.4° |
| O20 | C19 | H6 | 126.0° | 125.6° |
| C19 | C18 | C17 | 107.3° | 107.1° |
| C19 | C18 | H5 | 126.3° | 126.4° |
| C18 | C19 | H6 | 126.1° | 125.7° |
| O20 | C16 | C13 | 126.0° | 125.9° |
| O20 | C16 | C17 | 109.1° | 108.2° |
| C09 | C07 | C06 | 121.6° | 120.5° |
| C07 | C09 | C10 | 118.4° | 119.4° |
| C07 | C09 | H3 | 120.8° | 120.3° |
| C07 | C06 | C05 | 119.8° | 120.9° |
| C07 | C06 | H2 | 120.1° | 119.5° |
| C09 | C10 | C11 | 121.2° | 122.1° |
| C09 | C10 | C04 | 119.9° | 120.0° |
| C10 | C09 | H3 | 120.8° | 120.3° |
| C13 | N12 | C11 | 106.2° | 109.7° |
| N12 | C13 | C16 | 127.9° | 125.4° |
| N12 | C13 | N14 | 108.8° | 109.1° |
| N12 | C11 | C10 | 132.6° | 134.3° |
| N12 | C11 | N15 | 108.3° | 108.0° |
| C18 | C17 | C16 | 106.5° | 106.7° |
| C18 | C17 | H4 | 126.7° | 126.7° |
| C17 | C18 | H5 | 126.3° | 126.5° |
| C13 | C16 | C17 | 124.8° | 125.9° |
| C16 | C13 | N14 | 123.3° | 125.4° |
| C16 | C17 | H4 | 126.7° | 126.6° |
| C06 | C05 | C04 | 119.0° | 119.9° |
| C06 | C05 | H1 | 120.5° | 120.0° |
| C05 | C06 | H2 | 120.1° | 119.5° |
| C13 | N14 | N15 | 107.3° | 107.0° |
| C11 | C10 | C04 | 118.9° | 118.0° |
| C10 | C11 | N15 | 119.0° | 117.7° |
| C10 | C04 | C05 | 121.2° | 119.3° |
| C10 | C04 | N03 | 119.9° | 119.3° |
| C11 | N15 | N14 | 109.4° | 106.2° |
| C11 | N15 | C02 | 122.3° | 120.2° |
| C05 | C04 | N03 | 118.8° | 121.5° |
| C04 | C05 | H1 | 120.5° | 120.1° |
| C04 | N03 | C02 | 119.0° | 122.0° |
| N14 | N15 | C02 | 128.3° | 133.6° |
| N15 | C02 | N03 | 120.8° | 122.8° |
| N15 | C02 | N01 | 120.4° | 118.6° |
| N03 | C02 | N01 | 118.8° | 118.6° |
| C02 | N01 | H7 | 109.5° | 120.0° |
| C02 | N01 | H8 | 109.4° | 120.0° |
| H7 | N01 | H8 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL8 | C07 | C09 | C06 | 178.5° | 179.4° |
| CL8 | C07 | C09 | C10 | 178.3° | 180.0° |
| CL8 | C07 | C06 | C05 | 178.1° | 179.7° |
| CL8 | C07 | C06 | H2 | 1.9° | 0.3° |
| CL8 | C07 | C09 | H3 | 1.7° | 0.5° |
| O20 | C19 | C18 | H6 | 180.0° | 179.6° |
| O20 | C19 | C18 | C17 | 0.5° | 0.3° |
| C19 | O20 | C16 | C13 | 179.2° | 179.8° |
| C19 | O20 | C16 | C17 | 0.5° | 0.5° |
| O20 | C19 | C18 | H5 | 179.5° | 179.7° |
| C18 | C19 | O20 | C16 | 0.6° | 0.4° |
| C19 | C18 | C17 | H5 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C19 | C18 | C17 | H4 | 179.8° | 180.0° |
| O20 | C16 | C13 | N12 | 0.5° | 0.2° |
| O20 | C16 | C17 | C18 | 0.2° | 0.3° |
| O20 | C16 | C13 | C17 | 178.5° | 179.7° |
| O20 | C16 | C13 | N14 | 179.5° | 179.6° |
| O20 | C16 | C17 | H4 | 179.8° | 179.7° |
| C16 | O20 | C19 | H6 | 179.3° | 180.0° |
| C07 | C09 | C10 | H3 | 180.0° | 179.5° |
| C09 | C07 | C06 | C05 | 0.5° | 0.3° |
| C07 | C09 | C10 | C11 | 180.0° | 179.8° |
| C07 | C09 | C10 | C04 | 0.1° | 0.5° |
| C09 | C07 | C06 | H2 | 179.5° | 179.7° |
| C06 | C07 | C09 | C10 | 0.2° | 0.5° |
| C07 | C06 | C05 | H2 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.4° | 0.0° |
| C07 | C06 | C05 | H1 | 179.6° | 180.0° |
| C06 | C07 | C09 | H3 | 179.8° | 180.0° |
| C09 | C10 | C11 | N12 | 0.6° | 0.3° |
| C09 | C10 | C11 | C04 | 179.9° | 179.7° |
| C09 | C10 | C11 | N15 | 179.5° | 179.8° |
| C09 | C10 | C04 | C05 | 0.2° | 0.3° |
| C09 | C10 | C04 | N03 | 179.1° | 179.7° |
| N12 | C13 | C16 | N14 | 180.0° | 179.8° |
| N12 | C13 | C16 | C17 | 178.0° | 179.9° |
| C13 | N12 | C11 | C10 | 179.9° | 179.9° |
| C13 | N12 | C11 | N15 | 0.0° | 0.0° |
| N12 | C13 | N14 | N15 | 0.5° | 0.1° |
| C11 | N12 | C13 | C16 | 179.7° | 179.9° |
| C11 | N12 | C13 | N14 | 0.3° | 0.0° |
| N12 | C11 | C10 | N15 | 179.8° | 179.9° |
| N12 | C11 | C10 | C04 | 179.3° | 180.0° |
| N12 | C11 | N15 | N14 | 0.2° | 0.0° |
| N12 | C11 | N15 | C02 | 179.3° | 180.0° |
| C18 | C17 | C16 | C13 | 178.9° | 179.9° |
| C18 | C17 | C16 | H4 | 180.0° | 180.0° |
| C17 | C18 | C19 | H6 | 179.4° | 179.8° |
| C16 | C13 | N14 | N15 | 179.5° | 179.9° |
| C13 | C16 | C17 | H4 | 1.1° | 0.1° |
| C17 | C16 | C13 | N14 | 2.0° | 0.1° |
| C16 | C17 | C18 | H5 | 179.8° | 180.0° |
| C06 | C05 | C04 | C10 | 0.0° | 0.0° |
| C06 | C05 | C04 | H1 | 180.0° | 179.9° |
| C06 | C05 | C04 | N03 | 178.9° | 180.0° |
| C13 | N14 | N15 | C11 | 0.4° | 0.0° |
| C13 | N14 | N15 | C02 | 179.4° | 180.0° |
| C11 | C10 | C04 | C05 | 179.9° | 180.0° |
| C11 | C10 | C04 | N03 | 1.0° | 0.0° |
| C10 | C11 | N15 | N14 | 179.6° | 180.0° |
| C10 | C11 | N15 | C02 | 0.6° | 0.1° |
| C11 | C10 | C09 | H3 | 0.0° | 0.2° |
| C04 | C10 | C11 | N15 | 0.6° | 0.0° |
| C10 | C04 | C05 | N03 | 178.9° | 180.0° |
| C10 | C04 | N03 | C02 | 1.4° | 0.0° |
| C10 | C04 | C05 | H1 | 180.0° | 180.0° |
| C04 | C10 | C09 | H3 | 179.9° | 180.0° |
| C11 | N15 | N14 | C02 | 179.0° | 179.9° |
| C11 | N15 | C02 | N03 | 1.0° | 0.1° |
| C11 | N15 | C02 | N01 | 178.8° | 180.0° |
| C05 | C04 | N03 | C02 | 179.6° | 180.0° |
| C04 | C05 | C06 | H2 | 179.6° | 180.0° |
| C04 | N03 | C02 | N15 | 1.4° | 0.1° |
| C04 | N03 | C02 | N01 | 178.4° | 180.0° |
| N03 | C04 | C05 | H1 | 1.1° | 0.0° |
| N14 | N15 | C02 | N03 | 179.9° | 180.0° |
| N14 | N15 | C02 | N01 | 0.0° | 0.1° |
| N15 | C02 | N03 | N01 | 179.8° | 179.9° |
| N15 | C02 | N01 | H7 | 179.9° | 179.9° |
| N15 | C02 | N01 | H8 | 59.9° | 0.1° |
| N03 | C02 | N01 | H7 | 0.0° | 0.0° |
| N03 | C02 | N01 | H8 | 120.0° | 180.0° |
| C02 | N01 | H7 | H8 | 120.0° | 180.0° |
| H1 | C05 | C06 | H2 | 0.4° | 0.0° |
| H4 | C17 | C18 | H5 | 0.2° | 0.1° |
| H5 | C18 | C19 | H6 | 0.6° | 0.1° |
