U62
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| S16 | C15 | sing | 1.75Å | 1.75Å | Aromatic |
| S16 | C04 | sing | 1.76Å | 1.71Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.26Å | |
| C14 | C15 | sing | 1.48Å | 1.38Å | |
| C14 | C09 | doub | 1.41Å | 1.38Å | Aromatic |
| C02 | C04 | sing | 1.46Å | 1.51Å | |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C15 | C06 | doub | 1.39Å | 1.37Å | Aromatic |
| C04 | C05 | doub | 1.37Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | O08 | sing | 1.35Å | 1.46Å | |
| C06 | C05 | sing | 1.37Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.52Å | 1.54Å | |
| C07 | O08 | sing | 1.43Å | 1.43Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| O03 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 120.4° | 120.1° |
| C12 | C13 | C14 | 120.3° | 119.4° |
| C12 | C13 | H2 | 119.8° | 120.3° |
| C13 | C12 | H7 | 119.8° | 120.0° |
| C12 | C11 | C10 | 119.4° | 120.8° |
| C12 | C11 | H6 | 120.3° | 119.7° |
| C11 | C12 | H7 | 119.8° | 119.9° |
| C13 | C14 | C15 | 121.0° | 123.0° |
| C13 | C14 | C09 | 118.3° | 120.7° |
| C14 | C13 | H2 | 119.9° | 120.3° |
| C11 | C10 | C09 | 120.3° | 120.1° |
| C11 | C10 | H1 | 119.9° | 120.0° |
| C10 | C11 | H6 | 120.3° | 119.5° |
| C15 | S16 | C04 | 95.7° | 91.2° |
| S16 | C15 | C14 | 133.5° | 129.6° |
| S16 | C15 | C06 | 106.1° | 110.3° |
| S16 | C04 | C02 | 123.8° | 125.1° |
| S16 | C04 | C05 | 108.2° | 109.7° |
| O01 | C02 | C04 | 118.3° | 120.0° |
| O01 | C02 | O03 | 121.7° | 120.0° |
| C15 | C14 | C09 | 120.3° | 116.3° |
| C14 | C15 | C06 | 120.1° | 120.0° |
| C14 | C09 | C10 | 121.2° | 118.8° |
| C14 | C09 | O08 | 120.5° | 120.1° |
| C04 | C02 | O03 | 119.8° | 120.0° |
| C02 | C04 | C05 | 128.0° | 125.2° |
| C02 | O03 | H8 | 109.5° | 114.0° |
| C15 | C06 | C05 | 116.2° | 113.4° |
| C15 | C06 | C07 | 120.3° | 119.4° |
| C04 | C05 | C06 | 113.8° | 115.4° |
| C04 | C05 | H3 | 123.1° | 122.3° |
| C10 | C09 | O08 | 118.3° | 121.1° |
| C09 | C10 | H1 | 119.9° | 119.9° |
| C09 | O08 | C07 | 114.9° | 120.6° |
| C05 | C06 | C07 | 123.4° | 127.2° |
| C06 | C05 | H3 | 123.1° | 122.3° |
| C06 | C07 | O08 | 112.1° | 108.9° |
| C06 | C07 | H4 | 108.8° | 109.5° |
| C06 | C07 | H5 | 108.8° | 109.5° |
| O08 | C07 | H4 | 108.8° | 110.4° |
| O08 | C07 | H5 | 108.8° | 108.8° |
| H4 | C07 | H5 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H7 | 180.0° | 179.7° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.4° |
| C12 | C13 | C14 | C15 | 176.1° | 179.0° |
| C12 | C13 | C14 | C09 | 3.2° | 0.1° |
| C13 | C12 | C11 | H6 | 179.7° | 179.6° |
| C11 | C12 | C13 | C14 | 1.7° | 0.4° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.5° | 0.0° |
| C12 | C11 | C10 | H1 | 179.5° | 179.8° |
| C11 | C12 | C13 | H2 | 178.4° | 179.6° |
| C13 | C14 | C15 | S16 | 12.8° | 15.5° |
| C13 | C14 | C15 | C09 | 172.8° | 179.0° |
| C13 | C14 | C15 | C06 | 159.8° | 165.7° |
| C13 | C14 | C09 | C10 | 3.5° | 0.3° |
| C13 | C14 | C09 | O08 | 178.5° | 179.1° |
| C14 | C13 | C12 | H7 | 178.4° | 179.9° |
| C11 | C10 | C09 | C14 | 2.2° | 0.3° |
| C11 | C10 | C09 | H1 | 180.0° | 179.8° |
| C11 | C10 | C09 | O08 | 179.7° | 179.1° |
| C10 | C11 | C12 | H7 | 179.7° | 179.9° |
| S16 | C15 | C14 | C06 | 172.6° | 178.7° |
| S16 | C15 | C14 | C09 | 174.4° | 165.5° |
| C15 | S16 | C04 | C02 | 179.6° | 179.3° |
| C15 | S16 | C04 | C05 | 0.6° | 1.1° |
| S16 | C15 | C06 | C05 | 2.0° | 0.8° |
| S16 | C15 | C06 | C07 | 178.6° | 179.5° |
| S16 | C04 | C02 | O01 | 6.9° | 177.9° |
| C04 | S16 | C15 | C14 | 174.8° | 178.6° |
| S16 | C04 | C02 | C05 | 178.8° | 177.9° |
| S16 | C04 | C02 | O03 | 168.2° | 2.1° |
| C04 | S16 | C15 | C06 | 1.4° | 0.2° |
| S16 | C04 | C05 | C06 | 0.4° | 1.8° |
| S16 | C04 | C05 | H3 | 179.6° | 178.1° |
| O01 | C02 | C04 | O03 | 175.1° | 180.0° |
| O01 | C02 | C04 | C05 | 174.3° | 0.0° |
| O01 | C02 | O03 | H8 | 0.0° | 0.0° |
| C15 | C14 | C09 | C10 | 176.4° | 178.7° |
| C15 | C14 | C09 | O08 | 5.5° | 1.9° |
| C14 | C15 | C06 | C05 | 176.4° | 179.7° |
| C14 | C15 | C06 | C07 | 4.2° | 1.6° |
| C15 | C14 | C13 | H2 | 3.9° | 1.0° |
| C09 | C14 | C15 | C06 | 13.0° | 13.3° |
| C14 | C09 | C10 | O08 | 178.1° | 179.4° |
| C14 | C09 | O08 | C07 | 32.7° | 33.9° |
| C14 | C09 | C10 | H1 | 177.8° | 179.5° |
| C09 | C14 | C13 | H2 | 176.8° | 180.0° |
| C02 | C04 | C05 | C06 | 178.6° | 180.0° |
| C02 | C04 | C05 | H3 | 1.4° | 0.0° |
| C04 | C02 | O03 | H8 | 174.9° | 180.0° |
| O03 | C02 | C04 | C05 | 10.6° | 180.0° |
| C15 | C06 | C05 | C04 | 1.6° | 1.7° |
| C15 | C06 | C05 | C07 | 179.5° | 178.6° |
| C15 | C06 | C07 | O08 | 22.0° | 28.7° |
| C15 | C06 | C05 | H3 | 178.4° | 178.2° |
| C15 | C06 | C07 | H4 | 98.4° | 92.2° |
| C15 | C06 | C07 | H5 | 142.4° | 147.6° |
| C04 | C05 | C06 | H3 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 178.9° | 179.7° |
| C10 | C09 | O08 | C07 | 149.2° | 146.7° |
| C09 | C10 | C11 | H6 | 179.5° | 179.9° |
| C09 | O08 | C07 | C06 | 38.4° | 45.6° |
| O08 | C09 | C10 | H1 | 0.3° | 1.1° |
| C09 | O08 | C07 | H4 | 82.0° | 74.7° |
| C09 | O08 | C07 | H5 | 158.8° | 165.0° |
| C05 | C06 | C07 | O08 | 157.4° | 152.8° |
| C05 | C06 | C07 | H4 | 82.1° | 86.3° |
| C05 | C06 | C07 | H5 | 37.1° | 33.9° |
| C06 | C07 | O08 | H4 | 120.4° | 120.3° |
| C06 | C07 | O08 | H5 | 120.4° | 119.4° |
| C07 | C06 | C05 | H3 | 1.1° | 0.4° |
| C06 | C07 | H4 | H5 | 118.8° | 120.2° |
| O08 | C07 | H4 | H5 | 118.8° | 119.9° |
| H1 | C10 | C11 | H6 | 0.5° | 0.2° |
| H2 | C13 | C12 | H7 | 1.6° | 0.1° |
| H6 | C11 | C12 | H7 | 0.3° | 0.1° |
