OUC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C20 | sing | 1.36Å | 1.38Å | |
| C22 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C23 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.36Å | Aromatic |
| O26 | C25 | doub | 1.21Å | 1.19Å | |
| C08 | C07 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| C10 | C09 | sing | 1.51Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C04 | sing | 1.39Å | 1.36Å | Aromatic |
| C09 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | N24 | sing | 1.34Å | 1.46Å | |
| C25 | C11 | sing | 1.50Å | 1.55Å | |
| C04 | O05 | sing | 1.36Å | 1.37Å | |
| C04 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| N24 | C15 | sing | 1.46Å | 1.46Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C11 | N12 | sing | 1.46Å | 1.45Å | |
| C15 | C13 | sing | 1.50Å | 1.51Å | |
| N12 | C13 | sing | 1.34Å | 1.44Å | |
| C13 | O14 | doub | 1.21Å | 1.17Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| N12 | H19 | sing | 0.97Å | 1.00Å | |
| N24 | H20 | sing | 0.97Å | 1.00Å | |
| O05 | H21 | sing | 0.97Å | 0.95Å | |
| O21 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C20 | C22 | 128.0° | 120.1° |
| O21 | C20 | C19 | 110.4° | 120.0° |
| C20 | O21 | H22 | 109.5° | 114.0° |
| C20 | C22 | C23 | 117.1° | 120.0° |
| C22 | C20 | C19 | 121.7° | 119.9° |
| C20 | C22 | H17 | 121.5° | 120.0° |
| C22 | C23 | C17 | 119.4° | 120.0° |
| C23 | C22 | H17 | 121.5° | 120.0° |
| C22 | C23 | H18 | 120.3° | 120.0° |
| C20 | C19 | C18 | 121.1° | 120.0° |
| C20 | C19 | H16 | 119.4° | 120.0° |
| C23 | C17 | C18 | 120.5° | 120.1° |
| C23 | C17 | C16 | 129.9° | 119.9° |
| C17 | C23 | H18 | 120.3° | 120.0° |
| C19 | C18 | C17 | 120.2° | 120.0° |
| C19 | C18 | H15 | 119.9° | 120.0° |
| C18 | C19 | H16 | 119.4° | 120.0° |
| O26 | C25 | N24 | 118.8° | 118.6° |
| O26 | C25 | C11 | 122.8° | 118.7° |
| C08 | C07 | C06 | 115.3° | 119.9° |
| C08 | C07 | C09 | 121.5° | 120.0° |
| C07 | C08 | H6 | 109.5° | 109.5° |
| C07 | C08 | H7 | 109.5° | 109.5° |
| C07 | C08 | H8 | 109.5° | 109.5° |
| C18 | C17 | C16 | 109.5° | 119.9° |
| C17 | C18 | H15 | 119.9° | 120.0° |
| C17 | C16 | C15 | 110.5° | 109.5° |
| C17 | C16 | H13 | 109.2° | 109.5° |
| C17 | C16 | H14 | 109.2° | 109.5° |
| C09 | C10 | C11 | 121.9° | 109.5° |
| C10 | C09 | C07 | 118.9° | 120.0° |
| C10 | C09 | C02 | 122.8° | 119.9° |
| C09 | C10 | H9 | 106.3° | 109.5° |
| C09 | C10 | H10 | 106.3° | 109.4° |
| C10 | C11 | C25 | 110.9° | 109.1° |
| C10 | C11 | N12 | 105.0° | 109.1° |
| C11 | C10 | H9 | 106.3° | 109.5° |
| C11 | C10 | H10 | 106.3° | 109.5° |
| C10 | C11 | H11 | 106.9° | 109.1° |
| C06 | C07 | C09 | 123.2° | 120.1° |
| C07 | C06 | C04 | 116.4° | 120.0° |
| C07 | C06 | H5 | 121.8° | 120.0° |
| C07 | C09 | C02 | 118.1° | 120.1° |
| C06 | C04 | O05 | 116.9° | 120.1° |
| C06 | C04 | C03 | 122.9° | 119.8° |
| C04 | C06 | H5 | 121.8° | 120.0° |
| C09 | C02 | C03 | 119.7° | 120.1° |
| C09 | C02 | C01 | 124.2° | 120.0° |
| N24 | C25 | C11 | 118.4° | 122.7° |
| C25 | N24 | C15 | 121.5° | 122.9° |
| C25 | N24 | H20 | 119.2° | 118.6° |
| C25 | C11 | N12 | 118.9° | 111.4° |
| C25 | C11 | H11 | 106.8° | 109.1° |
| O05 | C04 | C03 | 120.1° | 120.1° |
| C04 | O05 | H21 | 109.5° | 114.1° |
| C04 | C03 | C02 | 119.7° | 119.9° |
| C04 | C03 | H4 | 120.2° | 120.1° |
| C03 | C02 | C01 | 116.1° | 120.0° |
| C02 | C03 | H4 | 120.2° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| N24 | C15 | C16 | 107.4° | 109.1° |
| N24 | C15 | C13 | 119.4° | 111.3° |
| N24 | C15 | H12 | 109.0° | 109.1° |
| C15 | N24 | H20 | 119.2° | 118.5° |
| C16 | C15 | C13 | 104.2° | 109.1° |
| C16 | C15 | H12 | 108.1° | 109.1° |
| C15 | C16 | H13 | 109.2° | 109.5° |
| C15 | C16 | H14 | 109.2° | 109.5° |
| C11 | N12 | C13 | 121.7° | 122.8° |
| N12 | C11 | H11 | 107.9° | 109.1° |
| C11 | N12 | H19 | 119.2° | 118.6° |
| C15 | C13 | N12 | 120.1° | 122.7° |
| C15 | C13 | O14 | 119.5° | 118.6° |
| C13 | C15 | H12 | 108.3° | 109.1° |
| N12 | C13 | O14 | 120.5° | 118.7° |
| C13 | N12 | H19 | 119.2° | 118.6° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H6 | C08 | H7 | 109.5° | 109.4° |
| H6 | C08 | H8 | 109.5° | 109.5° |
| H7 | C08 | H8 | 109.4° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C20 | C22 | C19 | 179.5° | 180.0° |
| O21 | C20 | C22 | C23 | 179.2° | 179.8° |
| O21 | C20 | C19 | C18 | 179.3° | 180.0° |
| O21 | C20 | C19 | H16 | 0.7° | 0.0° |
| O21 | C20 | C22 | H17 | 0.8° | 0.0° |
| C20 | C22 | C23 | H17 | 180.0° | 179.8° |
| C20 | C22 | C23 | C17 | 0.5° | 0.5° |
| C22 | C20 | C19 | C18 | 0.3° | 0.0° |
| C22 | C20 | C19 | H16 | 179.7° | 180.0° |
| C20 | C22 | C23 | H18 | 179.5° | 180.0° |
| C22 | C20 | O21 | H22 | 180.0° | 90.0° |
| C23 | C22 | C20 | C19 | 0.3° | 0.2° |
| C22 | C23 | C17 | H18 | 180.0° | 179.6° |
| C22 | C23 | C17 | C18 | 1.4° | 0.5° |
| C22 | C23 | C17 | C16 | 177.5° | 179.8° |
| C20 | C19 | C18 | H16 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.6° | 0.0° |
| C20 | C19 | C18 | H15 | 179.4° | 180.0° |
| C19 | C20 | C22 | H17 | 179.7° | 180.0° |
| C19 | C20 | O21 | H22 | 0.4° | 90.0° |
| C23 | C17 | C18 | C19 | 1.4° | 0.3° |
| C23 | C17 | C18 | C16 | 176.9° | 179.8° |
| C23 | C17 | C16 | C15 | 85.3° | 90.2° |
| C23 | C17 | C16 | H13 | 34.9° | 149.8° |
| C23 | C17 | C16 | H14 | 154.6° | 29.7° |
| C23 | C17 | C18 | H15 | 178.6° | 179.7° |
| C17 | C23 | C22 | H17 | 179.5° | 179.7° |
| C19 | C18 | C17 | H15 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 178.3° | 180.0° |
| O26 | C25 | C11 | C10 | 59.7° | 79.3° |
| O26 | C25 | N24 | C11 | 179.4° | 179.9° |
| O26 | C25 | N24 | C15 | 179.5° | 179.9° |
| O26 | C25 | C11 | N12 | 178.5° | 160.3° |
| O26 | C25 | C11 | H11 | 56.4° | 39.8° |
| O26 | C25 | N24 | H20 | 0.5° | 0.0° |
| C08 | C07 | C09 | C10 | 3.1° | 0.2° |
| C08 | C07 | C06 | C09 | 179.7° | 179.8° |
| C08 | C07 | C06 | C04 | 178.9° | 180.0° |
| C08 | C07 | C09 | C02 | 178.8° | 179.7° |
| C08 | C07 | C06 | H5 | 1.1° | 0.0° |
| C07 | C08 | H6 | H7 | 120.0° | 120.0° |
| C07 | C08 | H6 | H8 | 120.0° | 120.1° |
| C07 | C08 | H7 | H8 | 120.0° | 120.0° |
| C18 | C17 | C16 | C15 | 98.2° | 90.0° |
| C18 | C17 | C16 | H13 | 141.6° | 30.0° |
| C18 | C17 | C16 | H14 | 21.9° | 150.0° |
| C17 | C18 | C19 | H16 | 179.4° | 180.0° |
| C18 | C17 | C23 | H18 | 178.6° | 179.9° |
| C17 | C16 | C15 | N24 | 51.5° | 63.3° |
| C17 | C16 | C15 | H13 | 120.2° | 120.0° |
| C17 | C16 | C15 | H14 | 120.1° | 120.0° |
| C17 | C16 | C15 | C13 | 76.0° | 175.0° |
| C17 | C16 | C15 | H12 | 169.0° | 55.9° |
| C17 | C16 | H13 | H14 | 119.5° | 120.0° |
| C16 | C17 | C18 | H15 | 1.7° | 0.0° |
| C16 | C17 | C23 | H18 | 2.5° | 0.2° |
| C09 | C10 | C11 | H9 | 121.7° | 120.0° |
| C09 | C10 | C11 | H10 | 121.7° | 120.0° |
| C10 | C09 | C07 | C06 | 176.6° | 180.0° |
| C10 | C09 | C07 | C02 | 175.7° | 179.5° |
| C09 | C10 | C11 | C25 | 154.4° | 173.2° |
| C10 | C09 | C02 | C03 | 177.8° | 180.0° |
| C10 | C09 | C02 | C01 | 4.7° | 0.3° |
| C09 | C10 | C11 | N12 | 76.0° | 64.9° |
| C09 | C10 | H9 | H10 | 114.4° | 120.0° |
| C09 | C10 | C11 | H11 | 38.4° | 54.2° |
| C11 | C10 | C09 | C07 | 128.4° | 90.0° |
| C11 | C10 | C09 | C02 | 56.1° | 90.5° |
| C10 | C11 | C25 | N24 | 119.7° | 100.8° |
| C10 | C11 | C25 | N12 | 121.8° | 120.5° |
| C10 | C11 | C25 | H11 | 116.1° | 119.0° |
| C10 | C11 | N12 | H11 | 113.7° | 119.1° |
| C10 | C11 | N12 | C13 | 124.3° | 101.1° |
| C11 | C10 | H9 | H10 | 114.4° | 120.0° |
| C10 | C11 | N12 | H19 | 55.7° | 79.0° |
| C07 | C06 | C04 | H5 | 180.0° | 180.0° |
| C06 | C07 | C09 | C02 | 0.9° | 0.5° |
| C07 | C06 | C04 | O05 | 179.3° | 180.0° |
| C07 | C06 | C04 | C03 | 2.1° | 0.0° |
| C06 | C07 | C08 | H6 | 90.1° | 90.1° |
| C06 | C07 | C08 | H7 | 149.8° | 150.0° |
| C06 | C07 | C08 | H8 | 29.9° | 30.0° |
| C09 | C07 | C06 | C04 | 0.8° | 0.3° |
| C07 | C09 | C02 | C03 | 2.2° | 0.5° |
| C07 | C09 | C02 | C01 | 179.7° | 179.8° |
| C09 | C07 | C06 | H5 | 179.2° | 179.8° |
| C09 | C07 | C08 | H6 | 90.2° | 89.7° |
| C09 | C07 | C08 | H7 | 29.9° | 30.2° |
| C09 | C07 | C08 | H8 | 149.8° | 150.2° |
| C07 | C09 | C10 | H9 | 109.8° | 150.0° |
| C07 | C09 | C10 | H10 | 6.7° | 30.0° |
| C06 | C04 | O05 | C03 | 178.6° | 180.0° |
| C06 | C04 | C03 | C02 | 3.5° | 0.0° |
| C06 | C04 | C03 | H4 | 176.5° | 180.0° |
| C06 | C04 | O05 | H21 | 180.0° | 90.0° |
| C09 | C02 | C03 | C04 | 3.5° | 0.3° |
| C09 | C02 | C03 | C01 | 177.7° | 179.7° |
| C09 | C02 | C01 | H1 | 88.6° | 90.3° |
| C09 | C02 | C01 | H2 | 151.4° | 29.7° |
| C09 | C02 | C01 | H3 | 31.4° | 149.7° |
| C09 | C02 | C03 | H4 | 176.5° | 179.7° |
| C02 | C09 | C10 | H9 | 65.7° | 29.5° |
| C02 | C09 | C10 | H10 | 177.8° | 149.5° |
| C25 | N24 | C15 | H20 | 180.0° | 179.9° |
| C25 | N24 | C15 | C16 | 116.7° | 100.9° |
| N24 | C25 | C11 | N12 | 2.1° | 19.6° |
| C25 | N24 | C15 | C13 | 1.4° | 19.5° |
| N24 | C25 | C11 | H11 | 124.2° | 140.1° |
| C25 | N24 | C15 | H12 | 126.5° | 140.0° |
| C11 | C25 | N24 | C15 | 1.1° | 0.1° |
| C25 | C11 | N12 | H11 | 121.6° | 120.5° |
| C25 | C11 | N12 | C13 | 0.4° | 19.4° |
| C25 | C11 | C10 | H9 | 32.7° | 53.2° |
| C25 | C11 | C10 | H10 | 83.9° | 66.8° |
| C25 | C11 | N12 | H19 | 179.6° | 160.5° |
| C11 | C25 | N24 | H20 | 178.9° | 180.0° |
| O05 | C04 | C03 | C02 | 177.9° | 180.0° |
| O05 | C04 | C03 | H4 | 2.1° | 0.0° |
| O05 | C04 | C06 | H5 | 0.7° | 0.1° |
| C04 | C03 | C02 | H4 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 178.8° | 180.0° |
| C03 | C04 | C06 | H5 | 177.9° | 180.0° |
| C03 | C04 | O05 | H21 | 1.4° | 90.0° |
| C03 | C02 | C01 | H1 | 89.0° | 90.0° |
| C03 | C02 | C01 | H2 | 31.0° | 150.0° |
| C03 | C02 | C01 | H3 | 151.0° | 30.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 1.2° | 0.0° |
| N24 | C15 | C16 | C13 | 127.6° | 121.7° |
| N24 | C15 | C16 | H12 | 117.5° | 119.1° |
| N24 | C15 | C13 | H12 | 125.4° | 120.5° |
| N24 | C15 | C13 | N12 | 3.1° | 19.7° |
| N24 | C15 | C13 | O14 | 176.9° | 160.3° |
| N24 | C15 | C16 | H13 | 68.6° | 56.7° |
| N24 | C15 | C16 | H14 | 171.7° | 176.8° |
| C16 | C15 | C13 | H12 | 114.8° | 119.1° |
| C16 | C15 | C13 | N12 | 116.6° | 100.7° |
| C16 | C15 | C13 | O14 | 63.3° | 79.3° |
| C15 | C16 | H13 | H14 | 119.5° | 120.0° |
| C16 | C15 | N24 | H20 | 63.3° | 79.0° |
| C11 | N12 | C13 | C15 | 2.2° | 0.0° |
| C11 | N12 | C13 | H19 | 180.0° | 180.0° |
| C11 | N12 | C13 | O14 | 177.9° | 179.9° |
| N12 | C11 | C10 | H9 | 162.2° | 175.0° |
| N12 | C11 | C10 | H10 | 45.7° | 55.0° |
| C15 | C13 | N12 | O14 | 179.9° | 180.0° |
| C13 | C15 | C16 | H13 | 163.8° | 65.0° |
| C13 | C15 | C16 | H14 | 44.1° | 55.0° |
| C15 | C13 | N12 | H19 | 177.8° | 179.9° |
| C13 | C15 | N24 | H20 | 178.6° | 160.6° |
| C13 | N12 | C11 | H11 | 122.0° | 139.9° |
| N12 | C13 | C15 | H12 | 128.5° | 140.2° |
| O14 | C13 | C15 | H12 | 51.5° | 39.8° |
| O14 | C13 | N12 | H19 | 2.2° | 0.1° |
| H1 | C01 | H2 | H3 | 119.9° | 119.9° |
| H6 | C08 | H7 | H8 | 120.0° | 120.0° |
| H9 | C10 | C11 | H11 | 83.3° | 65.9° |
| H10 | C10 | C11 | H11 | 160.1° | 174.1° |
| H11 | C11 | N12 | H19 | 58.1° | 40.1° |
| H12 | C15 | C16 | H13 | 48.8° | 175.8° |
| H12 | C15 | C16 | H14 | 70.9° | 64.1° |
| H12 | C15 | N24 | H20 | 53.5° | 40.1° |
| H15 | C18 | C19 | H16 | 0.6° | 0.0° |
| H17 | C22 | C23 | H18 | 0.5° | 0.1° |
