UVB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.47Å | 1.52Å | |
| C02 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | S06 | sing | 1.76Å | 1.80Å | |
| O07 | S06 | doub | 1.42Å | 1.47Å | |
| S06 | O15 | doub | 1.42Å | 1.46Å | |
| S06 | N08 | sing | 1.66Å | 1.70Å | |
| C09 | N08 | sing | 1.47Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| N08 | C14 | sing | 1.47Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| O11 | C10 | sing | 1.43Å | 1.41Å | |
| C10 | C12 | sing | 1.53Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.46Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | 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 | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| O11 | H17 | sing | 0.97Å | 0.95Å | |
| C01 | O1 | doub | 1.21Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 122.1° | 120.2° |
| C01 | C02 | C17 | 116.8° | 120.2° |
| C02 | C01 | H1 | 122.9° | 120.0° |
| C02 | C01 | O1 | 114.2° | 120.0° |
| C03 | C02 | C17 | 121.1° | 119.6° |
| C02 | C03 | C04 | 119.6° | 119.8° |
| C02 | C03 | H4 | 120.2° | 120.1° |
| C02 | C17 | C16 | 119.5° | 119.8° |
| C02 | C17 | H16 | 120.2° | 120.1° |
| C03 | C04 | C05 | 118.5° | 120.2° |
| C04 | C03 | H4 | 120.2° | 120.1° |
| C03 | C04 | H5 | 120.7° | 120.0° |
| C17 | C16 | C05 | 119.3° | 120.2° |
| C17 | C16 | H15 | 120.4° | 119.9° |
| C16 | C17 | H16 | 120.3° | 120.1° |
| C04 | C05 | C16 | 122.0° | 120.3° |
| C04 | C05 | S06 | 120.9° | 119.8° |
| C05 | C04 | H5 | 120.8° | 119.9° |
| C16 | C05 | S06 | 117.0° | 119.9° |
| C05 | C16 | H15 | 120.3° | 119.9° |
| C05 | S06 | O07 | 110.7° | 106.4° |
| C05 | S06 | O15 | 112.7° | 106.4° |
| C05 | S06 | N08 | 101.2° | 107.2° |
| O07 | S06 | O15 | 105.2° | 123.2° |
| O07 | S06 | N08 | 108.0° | 106.4° |
| O15 | S06 | N08 | 119.0° | 106.4° |
| S06 | N08 | C09 | 120.1° | 120.7° |
| S06 | N08 | C14 | 125.1° | 120.6° |
| N08 | C09 | C10 | 111.2° | 108.8° |
| C09 | N08 | C14 | 109.6° | 118.7° |
| N08 | C09 | H6 | 109.0° | 109.6° |
| N08 | C09 | H7 | 109.0° | 109.6° |
| C09 | C10 | O11 | 109.6° | 109.5° |
| C09 | C10 | C12 | 112.7° | 109.3° |
| C10 | C09 | H6 | 109.1° | 109.6° |
| C10 | C09 | H7 | 109.1° | 109.6° |
| C09 | C10 | H8 | 107.2° | 109.4° |
| N08 | C14 | C13 | 110.9° | 108.8° |
| N08 | C14 | H13 | 109.1° | 109.6° |
| N08 | C14 | H14 | 109.1° | 109.7° |
| C14 | C13 | C12 | 114.6° | 109.3° |
| C14 | C13 | H11 | 108.2° | 109.4° |
| C14 | C13 | H12 | 108.2° | 109.5° |
| C13 | C14 | H13 | 109.1° | 109.6° |
| C13 | C14 | H14 | 109.1° | 109.6° |
| O11 | C10 | C12 | 110.5° | 109.5° |
| O11 | C10 | H8 | 108.7° | 109.5° |
| C10 | O11 | H17 | 109.5° | 113.9° |
| C10 | C12 | C13 | 114.2° | 109.6° |
| C12 | C10 | H8 | 108.0° | 109.6° |
| C10 | C12 | H9 | 108.3° | 109.4° |
| C10 | C12 | H10 | 108.2° | 109.5° |
| C13 | C12 | H9 | 108.3° | 109.4° |
| C13 | C12 | H10 | 108.3° | 109.5° |
| C12 | C13 | H11 | 108.2° | 109.5° |
| C12 | C13 | H12 | 108.2° | 109.5° |
| H1 | C01 | O1 | 122.9° | 120.0° |
| H6 | C09 | H7 | 109.4° | 109.7° |
| H9 | C12 | H10 | 109.5° | 109.4° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C17 | 179.3° | 179.8° |
| C01 | C02 | C03 | C04 | 179.9° | 180.0° |
| C01 | C02 | C17 | C16 | 179.8° | 179.7° |
| C02 | C01 | H1 | O1 | 180.0° | 179.8° |
| C01 | C02 | C03 | H4 | 0.1° | 0.0° |
| C01 | C02 | C17 | H16 | 0.2° | 0.0° |
| C02 | C03 | C04 | H4 | 180.0° | 179.9° |
| C03 | C02 | C17 | C16 | 0.8° | 0.5° |
| C02 | C03 | C04 | C05 | 0.6° | 0.1° |
| C03 | C02 | C01 | H1 | 169.1° | 179.9° |
| C02 | C03 | C04 | H5 | 179.4° | 180.0° |
| C03 | C02 | C17 | H16 | 179.2° | 179.8° |
| C03 | C02 | C01 | O1 | 10.9° | 0.3° |
| C17 | C02 | C03 | C04 | 0.6° | 0.2° |
| C02 | C17 | C16 | H16 | 180.0° | 179.7° |
| C02 | C17 | C16 | C05 | 0.1° | 0.6° |
| C17 | C02 | C01 | H1 | 10.2° | 0.3° |
| C17 | C02 | C03 | H4 | 179.4° | 179.7° |
| C02 | C17 | C16 | H15 | 179.9° | 179.8° |
| C17 | C02 | C01 | O1 | 169.8° | 179.5° |
| C03 | C04 | C05 | H5 | 180.0° | 179.9° |
| C03 | C04 | C05 | C16 | 1.6° | 0.0° |
| C03 | C04 | C05 | S06 | 179.2° | 179.9° |
| C17 | C16 | C05 | C04 | 1.4° | 0.3° |
| C17 | C16 | C05 | H15 | 180.0° | 179.7° |
| C17 | C16 | C05 | S06 | 179.1° | 179.8° |
| C04 | C05 | C16 | S06 | 177.7° | 179.9° |
| C04 | C05 | S06 | O07 | 17.5° | 156.5° |
| C04 | C05 | S06 | O15 | 135.1° | 23.5° |
| C04 | C05 | S06 | N08 | 96.8° | 90.0° |
| C05 | C04 | C03 | H4 | 179.4° | 180.0° |
| C04 | C05 | C16 | H15 | 178.6° | 180.0° |
| C16 | C05 | S06 | O07 | 164.7° | 23.5° |
| C16 | C05 | S06 | O15 | 47.2° | 156.4° |
| C16 | C05 | S06 | N08 | 81.0° | 90.0° |
| C16 | C05 | C04 | H5 | 178.4° | 179.9° |
| C05 | C16 | C17 | H16 | 179.9° | 179.7° |
| C05 | S06 | O07 | O15 | 122.0° | 123.0° |
| C05 | S06 | O07 | N08 | 109.9° | 114.1° |
| C05 | S06 | O15 | N08 | 118.2° | 114.1° |
| C05 | S06 | N08 | C09 | 73.4° | 90.0° |
| C05 | S06 | N08 | C14 | 78.3° | 90.0° |
| S06 | C05 | C04 | H5 | 0.8° | 0.0° |
| S06 | C05 | C16 | H15 | 0.9° | 0.1° |
| O07 | S06 | O15 | N08 | 121.1° | 122.9° |
| O07 | S06 | N08 | C09 | 42.9° | 23.6° |
| O07 | S06 | N08 | C14 | 165.4° | 156.5° |
| O15 | S06 | N08 | C09 | 162.6° | 156.5° |
| O15 | S06 | N08 | C14 | 45.7° | 23.5° |
| S06 | N08 | C09 | C14 | 155.7° | 180.0° |
| S06 | N08 | C09 | C10 | 147.8° | 126.4° |
| S06 | N08 | C14 | C13 | 151.6° | 126.4° |
| S06 | N08 | C09 | H6 | 27.5° | 113.8° |
| S06 | N08 | C09 | H7 | 91.9° | 6.6° |
| S06 | N08 | C14 | H13 | 88.2° | 6.6° |
| S06 | N08 | C14 | H14 | 31.4° | 113.8° |
| N08 | C09 | C10 | H6 | 120.3° | 119.8° |
| N08 | C09 | C10 | H7 | 120.3° | 119.8° |
| C09 | N08 | C14 | C13 | 54.2° | 53.6° |
| N08 | C09 | C10 | O11 | 177.9° | 174.6° |
| N08 | C09 | C10 | C12 | 54.3° | 54.6° |
| N08 | C09 | H6 | H7 | 119.2° | 120.4° |
| N08 | C09 | C10 | H8 | 64.4° | 65.3° |
| C09 | N08 | C14 | H13 | 66.0° | 173.4° |
| C09 | N08 | C14 | H14 | 174.4° | 66.2° |
| C10 | C09 | N08 | C14 | 56.5° | 53.6° |
| C09 | C10 | O11 | C12 | 124.8° | 119.8° |
| C09 | C10 | O11 | H8 | 116.8° | 120.0° |
| C09 | C10 | C12 | H8 | 118.2° | 119.9° |
| C09 | C10 | C12 | C13 | 49.8° | 61.4° |
| C10 | C09 | H6 | H7 | 119.2° | 120.3° |
| C09 | C10 | C12 | H9 | 170.5° | 178.6° |
| C09 | C10 | C12 | H10 | 70.9° | 58.7° |
| C09 | C10 | O11 | H17 | 180.0° | 180.0° |
| N08 | C14 | C13 | H13 | 120.2° | 119.8° |
| N08 | C14 | C13 | H14 | 120.2° | 119.9° |
| N08 | C14 | C13 | C12 | 50.9° | 54.6° |
| C14 | N08 | C09 | H6 | 176.8° | 66.2° |
| C14 | N08 | C09 | H7 | 63.8° | 173.4° |
| N08 | C14 | C13 | H11 | 171.7° | 65.3° |
| N08 | C14 | C13 | H12 | 69.9° | 174.6° |
| N08 | C14 | H13 | H14 | 119.4° | 120.4° |
| C14 | C13 | C12 | C10 | 48.7° | 61.4° |
| C14 | C13 | C12 | H11 | 120.8° | 119.9° |
| C14 | C13 | C12 | H12 | 120.8° | 120.0° |
| C14 | C13 | C12 | H9 | 169.4° | 178.6° |
| C14 | C13 | C12 | H10 | 72.0° | 58.7° |
| C14 | C13 | H11 | H12 | 117.7° | 120.1° |
| C13 | C14 | H13 | H14 | 119.3° | 120.3° |
| O11 | C10 | C12 | H8 | 118.8° | 120.2° |
| O11 | C10 | C12 | C13 | 172.9° | 178.7° |
| O11 | C10 | C09 | H6 | 61.8° | 54.8° |
| O11 | C10 | C09 | H7 | 57.6° | 65.6° |
| O11 | C10 | C12 | H9 | 66.4° | 58.7° |
| O11 | C10 | C12 | H10 | 52.2° | 61.2° |
| C10 | C12 | C13 | H9 | 120.7° | 120.0° |
| C10 | C12 | C13 | H10 | 120.7° | 120.1° |
| C12 | C10 | C09 | H6 | 174.6° | 65.1° |
| C12 | C10 | C09 | H7 | 65.9° | 174.5° |
| C10 | C12 | H9 | H10 | 117.8° | 120.0° |
| C10 | C12 | C13 | H11 | 169.4° | 58.5° |
| C10 | C12 | C13 | H12 | 72.1° | 178.6° |
| C12 | C10 | O11 | H17 | 55.2° | 60.2° |
| C13 | C12 | C10 | H8 | 68.4° | 58.5° |
| C13 | C12 | H9 | H10 | 117.9° | 119.9° |
| C12 | C13 | H11 | H12 | 117.7° | 120.1° |
| C12 | C13 | C14 | H13 | 69.3° | 174.4° |
| C12 | C13 | C14 | H14 | 171.1° | 65.3° |
| H4 | C03 | C04 | H5 | 0.6° | 0.1° |
| H6 | C09 | C10 | H8 | 55.9° | 174.9° |
| H7 | C09 | C10 | H8 | 175.4° | 54.5° |
| H8 | C10 | C12 | H9 | 52.3° | 61.5° |
| H8 | C10 | C12 | H10 | 170.9° | 178.6° |
| H8 | C10 | O11 | H17 | 63.2° | 60.0° |
| H9 | C12 | C13 | H11 | 69.9° | 61.5° |
| H9 | C12 | C13 | H12 | 48.6° | 58.6° |
| H10 | C12 | C13 | H11 | 48.7° | 178.6° |
| H10 | C12 | C13 | H12 | 167.2° | 61.3° |
| H11 | C13 | C14 | H13 | 51.4° | 54.5° |
| H11 | C13 | C14 | H14 | 68.1° | 174.8° |
| H12 | C13 | C14 | H13 | 169.9° | 65.6° |
| H12 | C13 | C14 | H14 | 50.4° | 54.7° |
| H15 | C16 | C17 | H16 | 0.1° | 0.0° |






