U5B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | doub | 1.37Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.42Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.43Å | Aromatic |
| C04 | C03 | doub | 1.36Å | 1.41Å | Aromatic |
| O16 | C15 | doub | 1.21Å | 1.26Å | |
| C15 | O17 | sing | 1.34Å | 1.28Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C07 | C12 | doub | 1.41Å | 1.31Å | Aromatic |
| C07 | C08 | sing | 1.41Å | 1.44Å | Aromatic |
| C03 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.44Å | |
| S13 | C14 | sing | 1.81Å | 1.84Å | |
| S13 | C08 | sing | 1.76Å | 1.80Å | |
| C12 | C11 | sing | 1.39Å | 1.49Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.46Å | Aromatic |
| C02 | C01 | sing | 1.54Å | 1.43Å | |
| C11 | C01 | sing | 1.51Å | 1.61Å | |
| C11 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.45Å | Aromatic |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| O17 | H10 | sing | 0.97Å | 0.95Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | C04 | 124.1° | 122.3° |
| C05 | C06 | C07 | 115.8° | 118.8° |
| C06 | C05 | H7 | 117.9° | 118.9° |
| C05 | C06 | H8 | 122.1° | 120.6° |
| C05 | C04 | C03 | 116.6° | 120.3° |
| C05 | C04 | H6 | 121.7° | 119.8° |
| C04 | C05 | H7 | 117.9° | 118.8° |
| C06 | C07 | C12 | 118.7° | 117.9° |
| C06 | C07 | C08 | 125.3° | 124.3° |
| C07 | C06 | H8 | 122.1° | 120.6° |
| C04 | C03 | C12 | 117.4° | 118.0° |
| C04 | C03 | C02 | 126.5° | 134.6° |
| C03 | C04 | H6 | 121.8° | 119.8° |
| O16 | C15 | O17 | 119.5° | 120.0° |
| O16 | C15 | C14 | 118.9° | 120.0° |
| O17 | C15 | C14 | 121.7° | 120.0° |
| C15 | O17 | H10 | 109.5° | 117.0° |
| C15 | C14 | S13 | 110.5° | 109.4° |
| C15 | C14 | H1 | 109.2° | 109.5° |
| C15 | C14 | H2 | 109.2° | 109.5° |
| C12 | C07 | C08 | 115.9° | 117.8° |
| C07 | C12 | C03 | 127.3° | 122.7° |
| C07 | C12 | C11 | 126.6° | 122.8° |
| C07 | C08 | S13 | 119.9° | 120.7° |
| C07 | C08 | C09 | 119.7° | 118.6° |
| C12 | C03 | C02 | 116.1° | 107.5° |
| C03 | C12 | C11 | 106.1° | 114.6° |
| C03 | C02 | C01 | 107.0° | 105.3° |
| C03 | C02 | H5 | 110.1° | 110.0° |
| C03 | C02 | H12 | 110.1° | 110.7° |
| C14 | S13 | C08 | 110.2° | 103.0° |
| S13 | C14 | H1 | 109.2° | 109.4° |
| S13 | C14 | H2 | 109.2° | 109.5° |
| S13 | C08 | C09 | 120.4° | 120.7° |
| C12 | C11 | C01 | 105.1° | 107.3° |
| C12 | C11 | C10 | 119.5° | 118.3° |
| C08 | C09 | C10 | 122.1° | 122.1° |
| C08 | C09 | H9 | 118.9° | 119.0° |
| C02 | C01 | C11 | 105.8° | 105.3° |
| C02 | C01 | H4 | 110.3° | 110.3° |
| C01 | C02 | H5 | 110.1° | 110.3° |
| C02 | C01 | H11 | 110.4° | 110.3° |
| C01 | C02 | H12 | 110.1° | 110.3° |
| C01 | C11 | C10 | 135.4° | 134.4° |
| C11 | C01 | H4 | 110.4° | 110.3° |
| C11 | C01 | H11 | 110.4° | 110.3° |
| C11 | C10 | C09 | 116.2° | 120.5° |
| C11 | C10 | H3 | 121.9° | 119.7° |
| C09 | C10 | H3 | 121.9° | 119.8° |
| C10 | C09 | H9 | 119.0° | 118.9° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H4 | C01 | H11 | 109.5° | 110.3° |
| H5 | C02 | H12 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | C04 | H7 | 180.0° | 179.9° |
| C05 | C06 | C07 | H8 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 1.8° | 0.1° |
| C05 | C06 | C07 | C12 | 1.5° | 0.0° |
| C05 | C06 | C07 | C08 | 180.0° | 179.9° |
| C06 | C05 | C04 | H6 | 178.2° | 180.0° |
| C04 | C05 | C06 | C07 | 1.7° | 0.1° |
| C05 | C04 | C03 | H6 | 180.0° | 179.9° |
| C05 | C04 | C03 | C12 | 1.5° | 0.0° |
| C05 | C04 | C03 | C02 | 179.2° | 179.7° |
| C04 | C05 | C06 | H8 | 178.2° | 180.0° |
| C06 | C07 | C12 | C08 | 178.7° | 179.9° |
| C06 | C07 | C12 | C03 | 1.5° | 0.1° |
| C06 | C07 | C08 | S13 | 1.0° | 0.0° |
| C06 | C07 | C12 | C11 | 179.2° | 180.0° |
| C06 | C07 | C08 | C09 | 179.0° | 179.8° |
| C07 | C06 | C05 | H7 | 178.3° | 180.0° |
| C04 | C03 | C12 | C07 | 1.6° | 0.1° |
| C04 | C03 | C12 | C02 | 177.9° | 179.7° |
| C04 | C03 | C12 | C11 | 179.1° | 180.0° |
| C04 | C03 | C02 | C01 | 178.4° | 180.0° |
| C04 | C03 | C02 | H5 | 62.0° | 61.2° |
| C03 | C04 | C05 | H7 | 178.2° | 180.0° |
| C04 | C03 | C02 | H12 | 58.8° | 60.9° |
| O16 | C15 | O17 | C14 | 179.9° | 180.0° |
| O16 | C15 | C14 | S13 | 8.1° | 0.0° |
| O16 | C15 | C14 | H1 | 128.3° | 119.9° |
| O16 | C15 | C14 | H2 | 112.0° | 120.0° |
| O16 | C15 | O17 | H10 | 0.0° | 0.0° |
| O17 | C15 | C14 | S13 | 172.0° | 180.0° |
| O17 | C15 | C14 | H1 | 51.8° | 60.1° |
| O17 | C15 | C14 | H2 | 67.9° | 60.0° |
| C15 | C14 | S13 | H1 | 120.1° | 119.9° |
| C15 | C14 | S13 | H2 | 120.1° | 120.0° |
| C15 | C14 | S13 | C08 | 173.4° | 180.0° |
| C15 | C14 | H1 | H2 | 119.6° | 120.1° |
| C14 | C15 | O17 | H10 | 179.9° | 180.0° |
| C07 | C12 | C03 | C11 | 179.3° | 179.9° |
| C07 | C12 | C03 | C02 | 179.5° | 179.6° |
| C12 | C07 | C08 | S13 | 179.5° | 179.9° |
| C12 | C07 | C08 | C09 | 0.4° | 0.1° |
| C07 | C12 | C11 | C01 | 179.5° | 179.9° |
| C07 | C12 | C11 | C10 | 0.8° | 0.4° |
| C12 | C07 | C06 | H8 | 178.5° | 179.8° |
| C08 | C07 | C12 | C03 | 179.8° | 180.0° |
| C07 | C08 | S13 | C14 | 164.2° | 179.9° |
| C07 | C08 | S13 | C09 | 179.9° | 179.8° |
| C08 | C07 | C12 | C11 | 0.6° | 0.1° |
| C07 | C08 | C09 | C10 | 0.4° | 0.1° |
| C08 | C07 | C06 | H8 | 0.0° | 0.0° |
| C07 | C08 | C09 | H9 | 179.6° | 179.9° |
| C12 | C03 | C02 | C01 | 0.6° | 0.4° |
| C03 | C12 | C11 | C01 | 1.1° | 0.0° |
| C03 | C12 | C11 | C10 | 179.9° | 179.8° |
| C12 | C03 | C02 | H5 | 120.2° | 119.2° |
| C12 | C03 | C04 | H6 | 178.5° | 179.9° |
| C12 | C03 | C02 | H12 | 119.0° | 118.8° |
| C02 | C03 | C12 | C11 | 1.2° | 0.2° |
| C03 | C02 | C01 | H5 | 119.6° | 118.6° |
| C03 | C02 | C01 | H12 | 119.6° | 119.5° |
| C03 | C02 | C01 | C11 | 0.2° | 0.4° |
| C03 | C02 | C01 | H4 | 119.6° | 118.5° |
| C03 | C02 | H5 | H12 | 121.2° | 122.3° |
| C02 | C03 | C04 | H6 | 0.8° | 0.4° |
| C03 | C02 | C01 | H11 | 119.3° | 119.4° |
| C14 | S13 | C08 | C09 | 15.7° | 0.3° |
| S13 | C14 | H1 | H2 | 119.5° | 120.0° |
| S13 | C08 | C09 | C10 | 179.5° | 179.9° |
| C08 | S13 | C14 | H1 | 53.3° | 60.1° |
| C08 | S13 | C14 | H2 | 66.4° | 60.0° |
| S13 | C08 | C09 | H9 | 0.5° | 0.3° |
| C12 | C11 | C01 | C02 | 0.8° | 0.3° |
| C12 | C11 | C01 | C10 | 178.5° | 179.7° |
| C12 | C11 | C10 | C09 | 0.6° | 0.4° |
| C12 | C11 | C10 | H3 | 179.4° | 179.7° |
| C12 | C11 | C01 | H4 | 120.2° | 118.7° |
| C12 | C11 | C01 | H11 | 118.6° | 119.3° |
| C08 | C09 | C10 | C11 | 0.5° | 0.1° |
| C08 | C09 | C10 | H9 | 180.0° | 179.8° |
| C08 | C09 | C10 | H3 | 179.5° | 179.9° |
| C02 | C01 | C11 | H4 | 119.4° | 118.9° |
| C02 | C01 | C11 | H11 | 119.4° | 119.1° |
| C02 | C01 | C11 | C10 | 179.3° | 179.9° |
| C02 | C01 | H4 | H11 | 121.7° | 122.1° |
| C01 | C02 | H5 | H12 | 121.2° | 122.0° |
| C01 | C11 | C10 | C09 | 178.9° | 180.0° |
| C01 | C11 | C10 | H3 | 1.1° | 0.1° |
| C11 | C01 | H4 | H11 | 121.7° | 122.0° |
| C11 | C01 | C02 | H5 | 119.4° | 119.0° |
| C11 | C01 | C02 | H12 | 119.7° | 119.1° |
| C11 | C10 | C09 | H3 | 180.0° | 179.9° |
| C10 | C11 | C01 | H4 | 61.4° | 61.0° |
| C11 | C10 | C09 | H9 | 179.5° | 179.7° |
| C10 | C11 | C01 | H11 | 59.8° | 61.0° |
| H3 | C10 | C09 | H9 | 0.5° | 0.2° |
| H4 | C01 | C02 | H5 | 0.0° | 0.0° |
| H4 | C01 | C02 | H12 | 120.8° | 122.0° |
| H5 | C02 | C01 | H11 | 121.1° | 122.0° |
| H6 | C04 | C05 | H7 | 1.8° | 0.1° |
| H7 | C05 | C06 | H8 | 1.8° | 0.2° |
| H11 | C01 | C02 | H12 | 0.3° | 0.1° |
