OUZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C22 | C02 | sing | 1.53Å | 1.56Å | |
| C22 | O21 | sing | 1.43Å | 1.40Å | |
| C02 | N03 | sing | 1.47Å | 1.37Å | |
| O21 | C14 | sing | 1.43Å | 1.37Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| N03 | C13 | sing | 1.47Å | 1.40Å | |
| N03 | C04 | sing | 1.47Å | 1.34Å | |
| C14 | C15 | sing | 1.51Å | 1.59Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C15 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C20 | C19 | sing | 1.38Å | 1.35Å | Aromatic |
| C05 | N06 | sing | 1.47Å | 1.28Å | |
| C07 | N06 | sing | 1.47Å | 1.34Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| N06 | H25 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C22 | 108.6° | 109.5° |
| C01 | C02 | N03 | 111.1° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.4° | 109.4° |
| C01 | C02 | H10 | 106.9° | 109.5° |
| C02 | C22 | O21 | 113.1° | 109.2° |
| C22 | C02 | N03 | 113.6° | 109.3° |
| C02 | C22 | H5 | 108.6° | 109.5° |
| C02 | C22 | H6 | 108.6° | 109.5° |
| C22 | C02 | H10 | 106.9° | 109.5° |
| C22 | O21 | C14 | 112.3° | 113.8° |
| O21 | C22 | H5 | 108.5° | 109.5° |
| O21 | C22 | H6 | 108.5° | 109.5° |
| C02 | N03 | C13 | 112.0° | 110.8° |
| C02 | N03 | C04 | 114.5° | 111.0° |
| N03 | C02 | H10 | 109.3° | 109.5° |
| O21 | C14 | C15 | 92.7° | 109.6° |
| O21 | C14 | C13 | 111.4° | 109.2° |
| O21 | C14 | H20 | 110.3° | 109.5° |
| C17 | C16 | C15 | 119.8° | 120.0° |
| C16 | C17 | C18 | 120.1° | 119.9° |
| C16 | C17 | H3 | 119.9° | 120.0° |
| C17 | C16 | H21 | 120.1° | 120.0° |
| C16 | C15 | C14 | 120.1° | 120.0° |
| C16 | C15 | C20 | 120.3° | 120.1° |
| C15 | C16 | H21 | 120.1° | 120.1° |
| C17 | C18 | C19 | 120.1° | 120.0° |
| C18 | C17 | H3 | 119.9° | 120.0° |
| C17 | C18 | H22 | 119.9° | 120.0° |
| C13 | N03 | C04 | 109.8° | 111.0° |
| N03 | C13 | C14 | 110.9° | 109.3° |
| N03 | C13 | H1 | 109.1° | 109.5° |
| N03 | C13 | H2 | 109.1° | 109.5° |
| N03 | C04 | C05 | 111.4° | 109.5° |
| N03 | C04 | H11 | 109.0° | 109.5° |
| N03 | C04 | H12 | 109.0° | 109.5° |
| C15 | C14 | C13 | 125.8° | 109.5° |
| C14 | C15 | C20 | 119.6° | 120.0° |
| C15 | C14 | H20 | 107.4° | 109.5° |
| C14 | C13 | H1 | 109.1° | 109.5° |
| C14 | C13 | H2 | 109.1° | 109.5° |
| C13 | C14 | H20 | 108.0° | 109.4° |
| C15 | C20 | C19 | 120.2° | 120.0° |
| C15 | C20 | H4 | 119.9° | 120.0° |
| C18 | C19 | C20 | 119.4° | 120.0° |
| C19 | C18 | H22 | 119.9° | 120.0° |
| C18 | C19 | H23 | 120.3° | 120.0° |
| C04 | C05 | N06 | 110.7° | 109.5° |
| C05 | C04 | H11 | 109.0° | 109.4° |
| C05 | C04 | H12 | 109.0° | 109.5° |
| C04 | C05 | H13 | 109.2° | 109.4° |
| C04 | C05 | H14 | 109.2° | 109.4° |
| C19 | C20 | H4 | 119.9° | 120.0° |
| C20 | C19 | H23 | 120.3° | 120.1° |
| C05 | N06 | C07 | 109.8° | 111.0° |
| N06 | C05 | H13 | 109.2° | 109.6° |
| N06 | C05 | H14 | 109.2° | 109.5° |
| C05 | N06 | H25 | 109.4° | 111.1° |
| N06 | C07 | C08 | 112.6° | 109.5° |
| N06 | C07 | H15 | 108.7° | 109.5° |
| N06 | C07 | H16 | 108.7° | 109.5° |
| C07 | N06 | H25 | 109.4° | 111.0° |
| C08 | C07 | H15 | 108.7° | 109.4° |
| C08 | C07 | H16 | 108.7° | 109.5° |
| C07 | C08 | H17 | 109.5° | 109.5° |
| C07 | C08 | H18 | 109.5° | 109.5° |
| C07 | C08 | H19 | 109.4° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.6° |
| H7 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H13 | C05 | H14 | 109.5° | 109.4° |
| H15 | C07 | H16 | 109.5° | 109.5° |
| H17 | C08 | H18 | 109.5° | 109.4° |
| H17 | C08 | H19 | 109.4° | 109.5° |
| H18 | C08 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C22 | N03 | 124.2° | 119.9° |
| C01 | C02 | C22 | H10 | 115.1° | 120.1° |
| C01 | C02 | C22 | O21 | 170.0° | 176.8° |
| C01 | C02 | N03 | H10 | 117.8° | 120.1° |
| C01 | C02 | N03 | C13 | 172.4° | 178.5° |
| C01 | C02 | N03 | C04 | 46.6° | 54.8° |
| C01 | C02 | C22 | H5 | 49.4° | 56.8° |
| C01 | C02 | C22 | H6 | 69.5° | 63.3° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C22 | O21 | H5 | 120.6° | 119.9° |
| C02 | C22 | O21 | H6 | 120.5° | 119.9° |
| C22 | C02 | N03 | H10 | 119.3° | 120.0° |
| C02 | C22 | O21 | C14 | 48.6° | 58.7° |
| C22 | C02 | N03 | C13 | 49.5° | 58.6° |
| C22 | C02 | N03 | C04 | 76.3° | 65.2° |
| C02 | C22 | H5 | H6 | 118.4° | 120.1° |
| C22 | C02 | C01 | H7 | 180.0° | 60.0° |
| C22 | C02 | C01 | H8 | 60.0° | 180.0° |
| C22 | C02 | C01 | H9 | 60.0° | 60.0° |
| O21 | C22 | C02 | N03 | 45.7° | 56.8° |
| C22 | O21 | C14 | C15 | 174.6° | 178.6° |
| C22 | O21 | C14 | C13 | 55.1° | 58.7° |
| O21 | C22 | H5 | H6 | 118.3° | 120.2° |
| O21 | C22 | C02 | H10 | 75.0° | 63.2° |
| C22 | O21 | C14 | H20 | 64.9° | 61.2° |
| C02 | N03 | C13 | C04 | 128.3° | 123.7° |
| C02 | N03 | C13 | C14 | 55.5° | 58.5° |
| C02 | N03 | C04 | C05 | 179.6° | 170.0° |
| C02 | N03 | C13 | H1 | 64.7° | 178.5° |
| C02 | N03 | C13 | H2 | 175.7° | 61.4° |
| N03 | C02 | C22 | H5 | 74.8° | 63.1° |
| N03 | C02 | C22 | H6 | 166.2° | 176.7° |
| N03 | C02 | C01 | H7 | 54.3° | 59.8° |
| N03 | C02 | C01 | H8 | 174.3° | 60.2° |
| N03 | C02 | C01 | H9 | 65.7° | 179.8° |
| C02 | N03 | C04 | H11 | 59.4° | 70.0° |
| C02 | N03 | C04 | H12 | 60.1° | 50.0° |
| O21 | C14 | C15 | C16 | 69.7° | 40.0° |
| O21 | C14 | C13 | N03 | 58.7° | 56.8° |
| O21 | C14 | C15 | C13 | 118.9° | 119.8° |
| O21 | C14 | C15 | H20 | 112.3° | 120.2° |
| O21 | C14 | C13 | H20 | 121.3° | 119.9° |
| O21 | C14 | C15 | C20 | 112.1° | 140.2° |
| O21 | C14 | C13 | H1 | 61.5° | 176.8° |
| O21 | C14 | C13 | H2 | 179.0° | 63.2° |
| C14 | O21 | C22 | H5 | 72.0° | 61.2° |
| C14 | O21 | C22 | H6 | 169.1° | 178.6° |
| C17 | C16 | C15 | H21 | 180.0° | 179.9° |
| C16 | C17 | C18 | H3 | 180.0° | 179.1° |
| C17 | C16 | C15 | C14 | 179.0° | 179.7° |
| C17 | C16 | C15 | C20 | 0.8° | 0.1° |
| C16 | C17 | C18 | C19 | 0.2° | 0.9° |
| C16 | C17 | C18 | H22 | 179.8° | 179.1° |
| C15 | C16 | C17 | C18 | 0.3° | 0.6° |
| C16 | C15 | C14 | C20 | 178.2° | 179.8° |
| C16 | C15 | C14 | C13 | 49.2° | 79.8° |
| C16 | C15 | C20 | C19 | 0.8° | 0.2° |
| C15 | C16 | C17 | H3 | 179.6° | 179.7° |
| C16 | C15 | C20 | H4 | 179.2° | 179.7° |
| C16 | C15 | C14 | H20 | 178.0° | 160.2° |
| C17 | C18 | C19 | H22 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.6° |
| C18 | C17 | C16 | H21 | 179.7° | 179.4° |
| C17 | C18 | C19 | H23 | 179.7° | 179.4° |
| N03 | C13 | C14 | C15 | 168.9° | 176.7° |
| N03 | C13 | C14 | H1 | 120.2° | 120.0° |
| N03 | C13 | C14 | H2 | 120.2° | 119.9° |
| C13 | N03 | C04 | C05 | 53.4° | 66.4° |
| N03 | C13 | H1 | H2 | 119.4° | 120.1° |
| C13 | N03 | C02 | H10 | 69.9° | 61.4° |
| C13 | N03 | C04 | H11 | 173.7° | 53.6° |
| C13 | N03 | C04 | H12 | 66.9° | 173.7° |
| N03 | C13 | C14 | H20 | 62.6° | 63.2° |
| C04 | N03 | C13 | C14 | 72.9° | 65.2° |
| N03 | C04 | C05 | H11 | 120.3° | 120.0° |
| N03 | C04 | C05 | H12 | 120.3° | 120.0° |
| N03 | C04 | C05 | N06 | 109.2° | 180.0° |
| C04 | N03 | C13 | H1 | 166.9° | 54.8° |
| C04 | N03 | C13 | H2 | 47.4° | 174.9° |
| C04 | N03 | C02 | H10 | 164.3° | 174.8° |
| N03 | C04 | H11 | H12 | 119.1° | 120.0° |
| N03 | C04 | C05 | H13 | 130.7° | 59.9° |
| N03 | C04 | C05 | H14 | 11.0° | 60.0° |
| C15 | C14 | C13 | H20 | 128.6° | 120.1° |
| C14 | C15 | C20 | C19 | 178.9° | 180.0° |
| C15 | C14 | C13 | H1 | 48.7° | 63.2° |
| C15 | C14 | C13 | H2 | 70.9° | 56.8° |
| C14 | C15 | C20 | H4 | 1.1° | 0.1° |
| C14 | C15 | C16 | H21 | 1.0° | 0.2° |
| C13 | C14 | C15 | C20 | 128.9° | 100.0° |
| C14 | C13 | H1 | H2 | 119.4° | 120.0° |
| C15 | C20 | C19 | C18 | 0.2° | 0.1° |
| C15 | C20 | C19 | H4 | 180.0° | 179.9° |
| C20 | C15 | C14 | H20 | 0.1° | 20.0° |
| C20 | C15 | C16 | H21 | 179.2° | 180.0° |
| C15 | C20 | C19 | H23 | 179.8° | 179.9° |
| C18 | C19 | C20 | H23 | 180.0° | 180.0° |
| C19 | C18 | C17 | H3 | 179.8° | 180.0° |
| C18 | C19 | C20 | H4 | 179.8° | 180.0° |
| C04 | C05 | N06 | H13 | 120.2° | 120.0° |
| C04 | C05 | N06 | H14 | 120.2° | 120.0° |
| C04 | C05 | N06 | C07 | 110.9° | 180.0° |
| C05 | C04 | H11 | H12 | 119.1° | 120.0° |
| C04 | C05 | H13 | H14 | 119.4° | 119.9° |
| C04 | C05 | N06 | H25 | 9.1° | 56.0° |
| C20 | C19 | C18 | H22 | 179.7° | 179.4° |
| C05 | N06 | C07 | H25 | 120.0° | 124.0° |
| C05 | N06 | C07 | C08 | 95.6° | 180.0° |
| N06 | C05 | C04 | H11 | 11.1° | 60.1° |
| N06 | C05 | C04 | H12 | 130.5° | 60.0° |
| N06 | C05 | H13 | H14 | 119.5° | 120.0° |
| C05 | N06 | C07 | H15 | 24.9° | 60.0° |
| C05 | N06 | C07 | H16 | 143.9° | 60.0° |
| N06 | C07 | C08 | H15 | 120.5° | 120.0° |
| N06 | C07 | C08 | H16 | 120.5° | 120.0° |
| C07 | N06 | C05 | H13 | 128.9° | 60.0° |
| C07 | N06 | C05 | H14 | 9.3° | 60.0° |
| N06 | C07 | H15 | H16 | 118.6° | 120.0° |
| N06 | C07 | C08 | H17 | 180.0° | 60.1° |
| N06 | C07 | C08 | H18 | 60.0° | 180.0° |
| N06 | C07 | C08 | H19 | 60.0° | 60.0° |
| C08 | C07 | H15 | H16 | 118.5° | 120.0° |
| C07 | C08 | H17 | H18 | 120.0° | 120.0° |
| C07 | C08 | H17 | H19 | 120.0° | 120.1° |
| C07 | C08 | H18 | H19 | 120.0° | 120.1° |
| C08 | C07 | N06 | H25 | 144.4° | 56.0° |
| H1 | C13 | C14 | H20 | 177.2° | 56.9° |
| H2 | C13 | C14 | H20 | 57.7° | 176.9° |
| H3 | C17 | C16 | H21 | 0.3° | 0.3° |
| H3 | C17 | C18 | H22 | 0.2° | 0.0° |
| H4 | C20 | C19 | H23 | 0.2° | 0.0° |
| H5 | C22 | C02 | H10 | 164.5° | 176.9° |
| H6 | C22 | C02 | H10 | 45.6° | 56.7° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H7 | C01 | C02 | H10 | 64.9° | 179.9° |
| H8 | C01 | C02 | H10 | 55.1° | 59.9° |
| H9 | C01 | C02 | H10 | 175.1° | 60.1° |
| H11 | C04 | C05 | H13 | 109.1° | 60.0° |
| H11 | C04 | C05 | H14 | 131.3° | 180.0° |
| H12 | C04 | C05 | H13 | 10.4° | 179.9° |
| H12 | C04 | C05 | H14 | 109.3° | 60.0° |
| H13 | C05 | N06 | H25 | 111.0° | 176.0° |
| H14 | C05 | N06 | H25 | 129.3° | 64.0° |
| H15 | C07 | C08 | H17 | 59.5° | 179.9° |
| H15 | C07 | C08 | H18 | 179.5° | 60.0° |
| H15 | C07 | C08 | H19 | 60.5° | 60.0° |
| H15 | C07 | N06 | H25 | 95.2° | 64.0° |
| H16 | C07 | C08 | H17 | 59.5° | 60.0° |
| H16 | C07 | C08 | H18 | 60.5° | 59.9° |
| H16 | C07 | C08 | H19 | 179.5° | 180.0° |
| H16 | C07 | N06 | H25 | 23.9° | 176.0° |
| H17 | C08 | H18 | H19 | 120.0° | 120.0° |
| H22 | C18 | C19 | H23 | 0.3° | 0.6° |
