UG8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | S07 | doub | 1.42Å | 1.51Å | |
| C14 | N09 | sing | 1.47Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| O08 | S07 | doub | 1.42Å | 1.52Å | |
| S07 | N09 | sing | 1.66Å | 1.77Å | |
| S07 | C06 | sing | 1.76Å | 1.78Å | |
| N09 | C10 | sing | 1.47Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.40Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C16 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C03 | doub | 1.40Å | 1.37Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.47Å | 1.52Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C02 | O1 | doub | 1.21Å | 1.43Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | S07 | O08 | 103.8° | 123.1° |
| O15 | S07 | N09 | 114.3° | 106.4° |
| O15 | S07 | C06 | 107.3° | 106.4° |
| N09 | C14 | C13 | 114.8° | 108.8° |
| C14 | N09 | S07 | 118.7° | 120.6° |
| C14 | N09 | C10 | 113.6° | 118.7° |
| N09 | C14 | H13 | 108.1° | 109.6° |
| N09 | C14 | H14 | 108.1° | 109.6° |
| C14 | C13 | C12 | 107.7° | 109.3° |
| C14 | C13 | H2 | 109.9° | 109.5° |
| C14 | C13 | H3 | 109.9° | 109.5° |
| C13 | C14 | H13 | 108.1° | 109.6° |
| C13 | C14 | H14 | 108.1° | 109.6° |
| O08 | S07 | N09 | 113.6° | 106.4° |
| O08 | S07 | C06 | 111.0° | 106.4° |
| N09 | S07 | C06 | 106.8° | 107.2° |
| S07 | N09 | C10 | 120.3° | 120.6° |
| S07 | C06 | C16 | 117.4° | 119.8° |
| S07 | C06 | C05 | 121.4° | 119.8° |
| N09 | C10 | C11 | 118.1° | 108.8° |
| N09 | C10 | H1 | 107.3° | 109.6° |
| N09 | C10 | H16 | 107.3° | 109.7° |
| C13 | C12 | C11 | 109.6° | 109.5° |
| C12 | C13 | H2 | 109.9° | 109.5° |
| C12 | C13 | H3 | 109.9° | 109.5° |
| C13 | C12 | H11 | 109.4° | 109.4° |
| C13 | C12 | H12 | 109.4° | 109.4° |
| C12 | C11 | C10 | 115.6° | 109.3° |
| C12 | C11 | H10 | 107.9° | 109.5° |
| C11 | C12 | H11 | 109.5° | 109.5° |
| C11 | C12 | H12 | 109.4° | 109.5° |
| C12 | C11 | H6 | 107.9° | 109.5° |
| C11 | C10 | H1 | 107.3° | 109.6° |
| C10 | C11 | H10 | 107.9° | 109.5° |
| C11 | C10 | H16 | 107.3° | 109.6° |
| C10 | C11 | H6 | 107.9° | 109.5° |
| C06 | C16 | C17 | 119.8° | 120.2° |
| C16 | C06 | C05 | 121.2° | 120.3° |
| C06 | C16 | H15 | 120.1° | 119.9° |
| C16 | C17 | C03 | 119.3° | 119.8° |
| C16 | C17 | H4 | 120.4° | 120.1° |
| C17 | C16 | H15 | 120.1° | 119.9° |
| C06 | C05 | C04 | 118.7° | 120.2° |
| C06 | C05 | H9 | 120.6° | 119.9° |
| C17 | C03 | C04 | 121.3° | 119.7° |
| C17 | C03 | C02 | 116.5° | 120.1° |
| C03 | C17 | H4 | 120.4° | 120.1° |
| C05 | C04 | C03 | 119.7° | 119.8° |
| C05 | C04 | H8 | 120.2° | 120.1° |
| C04 | C05 | H9 | 120.6° | 119.9° |
| C04 | C03 | C02 | 122.2° | 120.2° |
| C03 | C04 | H8 | 120.1° | 120.1° |
| C03 | C02 | H5 | 122.7° | 120.0° |
| C03 | C02 | O1 | 114.6° | 120.0° |
| H1 | C10 | H16 | 109.5° | 109.6° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H5 | C02 | O1 | 122.7° | 120.0° |
| H10 | C11 | H6 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | S07 | N09 | C14 | 55.2° | 156.4° |
| O15 | S07 | O08 | N09 | 124.7° | 122.9° |
| O15 | S07 | O08 | C06 | 114.9° | 122.9° |
| O15 | S07 | N09 | C06 | 118.5° | 113.5° |
| O15 | S07 | N09 | C10 | 156.7° | 23.5° |
| O15 | S07 | C06 | C16 | 49.7° | 156.7° |
| O15 | S07 | C06 | C05 | 130.2° | 23.6° |
| N09 | C14 | C13 | H13 | 120.8° | 119.8° |
| N09 | C14 | C13 | H14 | 120.8° | 119.8° |
| C14 | N09 | S07 | O08 | 174.0° | 23.6° |
| C14 | N09 | S07 | C10 | 148.1° | 180.0° |
| C14 | N09 | S07 | C06 | 63.3° | 90.0° |
| N09 | C14 | C13 | C12 | 53.3° | 54.6° |
| C14 | N09 | C10 | C11 | 21.2° | 53.6° |
| C14 | N09 | C10 | H1 | 100.1° | 66.2° |
| N09 | C14 | C13 | H2 | 173.0° | 65.3° |
| N09 | C14 | C13 | H3 | 66.4° | 174.6° |
| N09 | C14 | H13 | H14 | 117.6° | 120.3° |
| C14 | N09 | C10 | H16 | 142.4° | 173.5° |
| C13 | C14 | N09 | S07 | 143.1° | 126.4° |
| C13 | C14 | N09 | C10 | 7.1° | 53.6° |
| C14 | C13 | C12 | H2 | 119.7° | 119.9° |
| C14 | C13 | C12 | H3 | 119.7° | 120.0° |
| C14 | C13 | C12 | C11 | 73.3° | 61.4° |
| C14 | C13 | H2 | H3 | 120.9° | 120.1° |
| C14 | C13 | C12 | H11 | 46.7° | 58.7° |
| C14 | C13 | C12 | H12 | 166.7° | 178.6° |
| C13 | C14 | H13 | H14 | 117.5° | 120.3° |
| O08 | S07 | N09 | C06 | 122.7° | 113.6° |
| O08 | S07 | N09 | C10 | 37.9° | 156.4° |
| O08 | S07 | C06 | C16 | 162.4° | 23.9° |
| O08 | S07 | C06 | C05 | 17.5° | 156.4° |
| S07 | N09 | C10 | C11 | 170.8° | 126.4° |
| N09 | S07 | C06 | C16 | 73.3° | 89.7° |
| N09 | S07 | C06 | C05 | 106.8° | 90.0° |
| S07 | N09 | C10 | H1 | 49.5° | 113.8° |
| S07 | N09 | C14 | H13 | 96.1° | 6.5° |
| S07 | N09 | C14 | H14 | 22.3° | 113.8° |
| S07 | N09 | C10 | H16 | 68.0° | 6.5° |
| C06 | S07 | N09 | C10 | 84.8° | 90.0° |
| S07 | C06 | C16 | C05 | 179.9° | 179.7° |
| S07 | C06 | C16 | C17 | 180.0° | 179.7° |
| S07 | C06 | C05 | C04 | 179.9° | 180.0° |
| S07 | C06 | C05 | H9 | 0.1° | 0.0° |
| S07 | C06 | C16 | H15 | 0.1° | 0.3° |
| N09 | C10 | C11 | C12 | 2.9° | 54.7° |
| N09 | C10 | C11 | H1 | 121.2° | 119.8° |
| N09 | C10 | C11 | H16 | 121.2° | 119.9° |
| N09 | C10 | H1 | H16 | 116.1° | 120.4° |
| N09 | C10 | C11 | H10 | 118.0° | 65.3° |
| C10 | N09 | C14 | H13 | 113.7° | 173.4° |
| C10 | N09 | C14 | H14 | 127.8° | 66.2° |
| N09 | C10 | C11 | H6 | 123.8° | 174.6° |
| C13 | C12 | C11 | H11 | 120.0° | 120.0° |
| C13 | C12 | C11 | H12 | 120.0° | 120.0° |
| C13 | C12 | C11 | C10 | 44.5° | 61.4° |
| C12 | C13 | H2 | H3 | 120.8° | 120.1° |
| C13 | C12 | C11 | H10 | 165.4° | 58.6° |
| C13 | C12 | H11 | H12 | 120.0° | 119.9° |
| C12 | C13 | C14 | H13 | 67.5° | 174.4° |
| C12 | C13 | C14 | H14 | 174.1° | 65.2° |
| C13 | C12 | C11 | H6 | 76.4° | 178.7° |
| C12 | C11 | C10 | H10 | 120.9° | 120.0° |
| C12 | C11 | C10 | H6 | 120.9° | 119.9° |
| C12 | C11 | C10 | H1 | 118.3° | 65.2° |
| C11 | C12 | C13 | H2 | 167.0° | 58.5° |
| C11 | C12 | C13 | H3 | 46.4° | 178.6° |
| C12 | C11 | H10 | H6 | 117.2° | 120.1° |
| C11 | C12 | H11 | H12 | 120.0° | 120.0° |
| C12 | C11 | C10 | H16 | 124.1° | 174.6° |
| C11 | C10 | H1 | H16 | 116.1° | 120.3° |
| C10 | C11 | H10 | H6 | 117.2° | 120.1° |
| C10 | C11 | C12 | H11 | 75.5° | 58.6° |
| C10 | C11 | C12 | H12 | 164.5° | 178.6° |
| C06 | C16 | C17 | H15 | 180.0° | 179.4° |
| C06 | C16 | C17 | C03 | 0.6° | 0.6° |
| C16 | C06 | C05 | C04 | 0.0° | 0.3° |
| C06 | C16 | C17 | H4 | 179.4° | 179.8° |
| C16 | C06 | C05 | H9 | 180.0° | 179.7° |
| C17 | C16 | C06 | C05 | 0.1° | 0.6° |
| C16 | C17 | C03 | H4 | 180.0° | 179.6° |
| C16 | C17 | C03 | C04 | 1.3° | 0.3° |
| C16 | C17 | C03 | C02 | 179.9° | 179.7° |
| C06 | C05 | C04 | H9 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.7° | 0.0° |
| C06 | C05 | C04 | H8 | 179.3° | 180.0° |
| C05 | C06 | C16 | H15 | 179.9° | 180.0° |
| C17 | C03 | C04 | C05 | 1.4° | 0.0° |
| C17 | C03 | C04 | C02 | 178.7° | 180.0° |
| C17 | C03 | C02 | H5 | 0.8° | 180.0° |
| C17 | C03 | C04 | H8 | 178.6° | 180.0° |
| C03 | C17 | C16 | H15 | 179.4° | 180.0° |
| C17 | C03 | C02 | O1 | 179.2° | 0.0° |
| C05 | C04 | C03 | H8 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 179.9° | 180.0° |
| C04 | C03 | C17 | H4 | 178.6° | 180.0° |
| C04 | C03 | C02 | H5 | 177.9° | 0.0° |
| C03 | C04 | C05 | H9 | 179.3° | 180.0° |
| C04 | C03 | C02 | O1 | 2.1° | 180.0° |
| C02 | C03 | C17 | H4 | 0.1° | 0.0° |
| C03 | C02 | H5 | O1 | 180.0° | 180.0° |
| C02 | C03 | C04 | H8 | 0.1° | 0.0° |
| H1 | C10 | C11 | H10 | 120.8° | 174.9° |
| H1 | C10 | C11 | H6 | 2.6° | 54.8° |
| H2 | C13 | C12 | H11 | 73.0° | 178.6° |
| H2 | C13 | C12 | H12 | 47.0° | 61.5° |
| H2 | C13 | C14 | H13 | 52.3° | 54.5° |
| H2 | C13 | C14 | H14 | 66.2° | 174.9° |
| H3 | C13 | C12 | H11 | 166.5° | 61.3° |
| H3 | C13 | C12 | H12 | 73.6° | 58.6° |
| H3 | C13 | C14 | H13 | 172.8° | 65.6° |
| H3 | C13 | C14 | H14 | 54.4° | 54.8° |
| H4 | C17 | C16 | H15 | 0.6° | 0.3° |
| H8 | C04 | C05 | H9 | 0.7° | 0.0° |
| H10 | C11 | C12 | H11 | 45.4° | 178.6° |
| H10 | C11 | C12 | H12 | 74.6° | 61.4° |
| H10 | C11 | C10 | H16 | 3.2° | 54.6° |
| H11 | C12 | C11 | H6 | 163.6° | 61.3° |
| H12 | C12 | C11 | H6 | 43.6° | 58.7° |
| H16 | C10 | C11 | H6 | 115.0° | 65.5° |
