OZ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C10 | C9 | sing | 1.55Å | 1.52Å | |
| C11 | N12 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | sing | 1.54Å | 1.52Å | |
| N12 | C13 | sing | 1.38Å | 1.41Å | |
| N12 | C8 | sing | 1.47Å | 1.47Å | |
| N14 | C13 | sing | 1.36Å | 1.34Å | |
| N14 | C15 | sing | 1.35Å | 1.34Å | |
| C13 | C18 | doub | 1.36Å | 1.39Å | |
| O25 | C15 | doub | 1.22Å | 1.25Å | |
| C15 | C16 | sing | 1.39Å | 1.39Å | |
| C8 | C1 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.40Å | 1.39Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | |
| C17 | N19 | sing | 1.38Å | 1.40Å | |
| C20 | N19 | sing | 1.47Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| N19 | C24 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | sing | 1.54Å | 1.52Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C7 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | O22 | sing | 1.43Å | 1.42Å | |
| O22 | C23 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 103.8° | 101.6° |
| C10 | C11 | N12 | 104.5° | 104.8° |
| C11 | C10 | H101 | 110.9° | 111.0° |
| C11 | C10 | H10 | 110.9° | 111.0° |
| C10 | C11 | H11 | 110.7° | 110.4° |
| C10 | C11 | H111 | 110.7° | 110.3° |
| C10 | C9 | C8 | 104.2° | 102.9° |
| C10 | C9 | H9 | 110.8° | 110.7° |
| C10 | C9 | H91 | 110.8° | 110.9° |
| C9 | C10 | H101 | 110.9° | 111.0° |
| C9 | C10 | H10 | 110.9° | 111.0° |
| C11 | N12 | C13 | 119.7° | 125.6° |
| C11 | N12 | C8 | 111.0° | 108.7° |
| N12 | C11 | H11 | 110.7° | 110.4° |
| N12 | C11 | H111 | 110.7° | 110.4° |
| C9 | C8 | N12 | 104.9° | 107.3° |
| C9 | C8 | C1 | 110.5° | 109.8° |
| C8 | C9 | H9 | 110.8° | 110.7° |
| C8 | C9 | H91 | 110.8° | 110.7° |
| C9 | C8 | H8 | 111.4° | 109.9° |
| C13 | N12 | C8 | 129.2° | 125.7° |
| N12 | C13 | N14 | 120.5° | 119.6° |
| N12 | C13 | C18 | 118.8° | 119.7° |
| N12 | C8 | C1 | 106.3° | 109.9° |
| N12 | C8 | H8 | 112.2° | 110.0° |
| C13 | N14 | C15 | 120.9° | 121.0° |
| N14 | C13 | C18 | 120.7° | 120.7° |
| C13 | N14 | HN14 | 119.5° | 119.5° |
| N14 | C15 | O25 | 119.4° | 119.8° |
| N14 | C15 | C16 | 120.7° | 120.3° |
| C15 | N14 | HN14 | 119.6° | 119.5° |
| C13 | C18 | C17 | 119.8° | 119.7° |
| C13 | C18 | H18 | 120.1° | 120.2° |
| O25 | C15 | C16 | 119.9° | 119.8° |
| C15 | C16 | C17 | 119.8° | 119.3° |
| C15 | C16 | H16 | 120.1° | 120.4° |
| C8 | C1 | C2 | 109.9° | 109.5° |
| C8 | C1 | H12 | 109.4° | 109.5° |
| C8 | C1 | H1 | 109.4° | 109.5° |
| C1 | C8 | H8 | 111.3° | 109.9° |
| C18 | C17 | C16 | 118.0° | 119.0° |
| C18 | C17 | N19 | 120.3° | 120.5° |
| C17 | C18 | H18 | 120.1° | 120.1° |
| C16 | C17 | N19 | 121.4° | 120.5° |
| C17 | C16 | H16 | 120.1° | 120.3° |
| C17 | N19 | C20 | 120.2° | 121.0° |
| C17 | N19 | C24 | 119.8° | 121.0° |
| N19 | C20 | C21 | 107.5° | 108.4° |
| C20 | N19 | C24 | 120.0° | 118.0° |
| N19 | C20 | H201 | 109.9° | 109.6° |
| N19 | C20 | H20 | 110.0° | 109.7° |
| C20 | C21 | O22 | 109.3° | 109.2° |
| C21 | C20 | H201 | 110.0° | 109.7° |
| C21 | C20 | H20 | 110.0° | 109.7° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| N19 | C24 | C23 | 107.9° | 108.2° |
| N19 | C24 | H24 | 109.9° | 109.7° |
| N19 | C24 | H241 | 109.9° | 109.7° |
| C24 | C23 | O22 | 110.1° | 109.2° |
| C24 | C23 | H231 | 109.3° | 109.7° |
| C24 | C23 | H23 | 109.3° | 109.5° |
| C23 | C24 | H24 | 109.9° | 109.8° |
| C23 | C24 | H241 | 109.8° | 109.8° |
| C1 | C2 | C7 | 120.2° | 120.0° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C2 | C1 | H12 | 109.3° | 109.4° |
| C2 | C1 | H1 | 109.4° | 109.4° |
| C2 | C7 | C6 | 120.1° | 120.0° |
| C7 | C2 | C3 | 119.8° | 120.0° |
| C2 | C7 | H7 | 119.9° | 120.0° |
| C7 | C6 | C5 | 120.1° | 120.0° |
| C6 | C7 | H7 | 119.9° | 120.0° |
| C7 | C6 | H6 | 120.0° | 120.0° |
| C21 | O22 | C23 | 110.5° | 114.2° |
| O22 | C21 | H21 | 109.5° | 109.5° |
| O22 | C21 | H211 | 109.5° | 109.5° |
| O22 | C23 | H231 | 109.3° | 109.4° |
| O22 | C23 | H23 | 109.3° | 109.5° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| C6 | C5 | C4 | 119.9° | 120.0° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| H12 | C1 | H1 | 109.5° | 109.5° |
| H9 | C9 | H91 | 109.4° | 110.6° |
| H101 | C10 | H10 | 109.5° | 110.9° |
| H11 | C11 | H111 | 109.5° | 110.4° |
| H201 | C20 | H20 | 109.5° | 109.7° |
| H21 | C21 | H211 | 109.4° | 109.5° |
| H231 | C23 | H23 | 109.4° | 109.5° |
| H24 | C24 | H241 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H101 | 119.1° | 118.0° |
| C11 | C10 | C9 | H10 | 119.1° | 118.1° |
| C10 | C11 | N12 | H11 | 119.2° | 118.8° |
| C10 | C11 | N12 | H111 | 119.2° | 118.8° |
| C11 | C10 | C9 | C8 | 33.8° | 35.5° |
| C10 | C11 | N12 | C13 | 160.2° | 155.9° |
| C10 | C11 | N12 | C8 | 16.4° | 24.1° |
| C11 | C10 | C9 | H9 | 85.3° | 153.8° |
| C11 | C10 | C9 | H91 | 153.0° | 83.0° |
| C11 | C10 | H101 | H10 | 122.6° | 123.9° |
| C10 | C11 | H11 | H111 | 122.3° | 122.2° |
| C9 | C10 | C11 | N12 | 30.9° | 37.0° |
| C10 | C9 | C8 | H9 | 119.2° | 118.3° |
| C10 | C9 | C8 | H91 | 119.2° | 118.6° |
| C10 | C9 | C8 | N12 | 24.0° | 22.2° |
| C10 | C9 | C8 | C1 | 138.1° | 141.6° |
| C10 | C9 | H9 | H91 | 122.5° | 123.3° |
| C10 | C9 | C8 | H8 | 97.7° | 97.4° |
| C9 | C10 | H101 | H10 | 122.6° | 123.9° |
| C9 | C10 | C11 | H11 | 150.1° | 155.9° |
| C9 | C10 | C11 | H111 | 88.3° | 81.8° |
| C11 | N12 | C8 | C9 | 4.8° | 1.0° |
| C11 | N12 | C13 | C8 | 175.9° | 180.0° |
| C11 | N12 | C13 | N14 | 23.6° | 172.9° |
| C11 | N12 | C13 | C18 | 155.1° | 6.9° |
| C11 | N12 | C8 | C1 | 121.8° | 118.3° |
| C11 | N12 | C8 | H8 | 116.3° | 120.6° |
| N12 | C11 | C10 | H101 | 149.9° | 81.1° |
| N12 | C11 | C10 | H10 | 88.2° | 155.1° |
| N12 | C11 | H11 | H111 | 122.3° | 122.4° |
| C9 | C8 | N12 | C13 | 179.0° | 179.0° |
| C9 | C8 | N12 | C1 | 117.0° | 119.4° |
| C9 | C8 | N12 | H8 | 121.1° | 119.5° |
| C9 | C8 | C1 | H8 | 124.3° | 121.0° |
| C9 | C8 | C1 | C2 | 102.1° | 65.6° |
| C9 | C8 | C1 | H12 | 137.8° | 54.4° |
| C9 | C8 | C1 | H1 | 18.0° | 174.5° |
| C8 | C9 | H9 | H91 | 122.4° | 123.2° |
| C8 | C9 | C10 | H101 | 153.0° | 82.6° |
| C8 | C9 | C10 | H10 | 85.2° | 153.6° |
| N12 | C13 | N14 | C18 | 178.7° | 179.8° |
| N12 | C13 | N14 | C15 | 179.4° | 180.0° |
| C13 | N12 | C8 | C1 | 62.0° | 61.6° |
| N12 | C13 | C18 | C17 | 179.0° | 179.7° |
| C13 | N12 | C8 | H8 | 59.9° | 59.5° |
| C13 | N12 | C11 | H11 | 41.0° | 37.1° |
| C13 | N12 | C11 | H111 | 80.6° | 85.3° |
| N12 | C13 | N14 | HN14 | 0.6° | 0.1° |
| N12 | C13 | C18 | H18 | 1.0° | 0.0° |
| C8 | N12 | C13 | N14 | 160.5° | 7.1° |
| C8 | N12 | C13 | C18 | 20.8° | 173.1° |
| N12 | C8 | C1 | H8 | 122.5° | 121.2° |
| N12 | C8 | C1 | C2 | 144.6° | 176.6° |
| N12 | C8 | C1 | H12 | 24.5° | 63.4° |
| N12 | C8 | C1 | H1 | 95.3° | 56.7° |
| N12 | C8 | C9 | H9 | 95.2° | 140.6° |
| N12 | C8 | C9 | H91 | 143.2° | 96.4° |
| C8 | N12 | C11 | H11 | 135.6° | 142.9° |
| C8 | N12 | C11 | H111 | 102.8° | 94.7° |
| C13 | N14 | C15 | HN14 | 180.0° | 180.0° |
| C13 | N14 | C15 | O25 | 179.9° | 180.0° |
| C13 | N14 | C15 | C16 | 0.1° | 0.1° |
| N14 | C13 | C18 | C17 | 2.4° | 0.5° |
| N14 | C13 | C18 | H18 | 177.6° | 179.8° |
| C15 | N14 | C13 | C18 | 0.8° | 0.2° |
| N14 | C15 | O25 | C16 | 180.0° | 180.0° |
| N14 | C15 | C16 | C17 | 1.0° | 0.0° |
| N14 | C15 | C16 | H16 | 179.0° | 179.9° |
| C13 | C18 | C17 | H18 | 180.0° | 179.7° |
| C13 | C18 | C17 | C16 | 3.2° | 0.5° |
| C13 | C18 | C17 | N19 | 177.3° | 179.7° |
| C18 | C13 | N14 | HN14 | 179.2° | 179.7° |
| O25 | C15 | C16 | C17 | 179.0° | 180.0° |
| O25 | C15 | N14 | HN14 | 0.1° | 0.0° |
| O25 | C15 | C16 | H16 | 1.0° | 0.0° |
| C15 | C16 | C17 | C18 | 2.5° | 0.3° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | N19 | 176.6° | 180.0° |
| C16 | C15 | N14 | HN14 | 179.9° | 180.0° |
| C8 | C1 | C2 | H12 | 120.1° | 120.1° |
| C8 | C1 | C2 | H1 | 120.1° | 120.0° |
| C8 | C1 | C2 | C7 | 58.9° | 95.7° |
| C8 | C1 | C2 | C3 | 121.3° | 84.5° |
| C8 | C1 | H12 | H1 | 119.8° | 120.0° |
| C1 | C8 | C9 | H9 | 18.9° | 100.0° |
| C1 | C8 | C9 | H91 | 102.7° | 23.1° |
| C18 | C17 | C16 | N19 | 174.1° | 179.8° |
| C18 | C17 | N19 | C20 | 158.8° | 174.0° |
| C18 | C17 | N19 | C24 | 20.0° | 6.3° |
| C18 | C17 | C16 | H16 | 177.5° | 179.8° |
| C16 | C17 | N19 | C20 | 15.1° | 6.3° |
| C16 | C17 | N19 | C24 | 166.0° | 173.4° |
| C16 | C17 | C18 | H18 | 176.8° | 179.7° |
| C17 | N19 | C20 | C24 | 178.9° | 179.7° |
| C17 | N19 | C20 | C21 | 133.3° | 129.5° |
| C17 | N19 | C24 | C23 | 134.6° | 129.5° |
| N19 | C17 | C16 | H16 | 3.4° | 0.0° |
| N19 | C17 | C18 | H18 | 2.7° | 0.0° |
| C17 | N19 | C20 | H201 | 107.0° | 9.8° |
| C17 | N19 | C20 | H20 | 13.6° | 110.8° |
| C17 | N19 | C24 | H24 | 14.9° | 110.8° |
| C17 | N19 | C24 | H241 | 105.6° | 9.7° |
| N19 | C20 | C21 | H201 | 119.7° | 119.7° |
| N19 | C20 | C21 | H20 | 119.7° | 119.8° |
| C20 | N19 | C24 | C23 | 46.5° | 50.8° |
| N19 | C20 | C21 | O22 | 54.3° | 52.3° |
| N19 | C20 | H201 | H20 | 120.9° | 120.6° |
| N19 | C20 | C21 | H21 | 174.3° | 67.6° |
| N19 | C20 | C21 | H211 | 65.7° | 172.3° |
| C20 | N19 | C24 | H24 | 166.3° | 68.9° |
| C20 | N19 | C24 | H241 | 73.2° | 170.6° |
| C21 | C20 | N19 | C24 | 47.8° | 50.8° |
| C20 | C21 | O22 | H21 | 120.0° | 120.0° |
| C20 | C21 | O22 | H211 | 120.0° | 119.9° |
| C20 | C21 | O22 | C23 | 66.8° | 62.6° |
| C21 | C20 | H201 | H20 | 120.9° | 120.6° |
| C20 | C21 | H21 | H211 | 120.1° | 120.1° |
| N19 | C24 | C23 | H24 | 119.7° | 119.7° |
| N19 | C24 | C23 | H241 | 119.8° | 119.6° |
| N19 | C24 | C23 | O22 | 51.8° | 52.5° |
| C24 | N19 | C20 | H201 | 71.9° | 170.5° |
| C24 | N19 | C20 | H20 | 167.5° | 68.9° |
| N19 | C24 | C23 | H231 | 68.2° | 67.4° |
| N19 | C24 | C23 | H23 | 172.0° | 172.4° |
| N19 | C24 | H24 | H241 | 120.8° | 120.5° |
| C24 | C23 | O22 | C21 | 65.6° | 62.6° |
| C24 | C23 | O22 | H231 | 120.1° | 120.0° |
| C24 | C23 | O22 | H23 | 120.1° | 119.9° |
| C24 | C23 | H231 | H23 | 119.7° | 120.2° |
| C23 | C24 | H24 | H241 | 120.7° | 120.8° |
| C1 | C2 | C7 | C3 | 179.8° | 179.7° |
| C1 | C2 | C7 | C6 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C2 | C1 | H12 | H1 | 119.8° | 119.9° |
| C1 | C2 | C3 | H3 | 0.0° | 0.0° |
| C1 | C2 | C7 | H7 | 0.0° | 0.0° |
| C2 | C1 | C8 | H8 | 22.1° | 55.5° |
| C2 | C7 | C6 | H7 | 180.0° | 179.7° |
| C2 | C7 | C6 | C5 | 0.1° | 0.6° |
| C7 | C2 | C3 | C4 | 0.1° | 0.3° |
| C7 | C2 | C1 | H12 | 179.0° | 24.3° |
| C7 | C2 | C1 | H1 | 61.2° | 144.3° |
| C7 | C2 | C3 | H3 | 179.8° | 179.8° |
| C2 | C7 | C6 | H6 | 179.9° | 180.0° |
| C6 | C7 | C2 | C3 | 0.1° | 0.6° |
| C7 | C6 | C5 | H6 | 180.0° | 179.4° |
| C7 | C6 | C5 | C4 | 0.0° | 0.3° |
| C7 | C6 | C5 | H5 | 180.0° | 179.7° |
| O22 | C21 | C20 | H201 | 65.4° | 172.0° |
| O22 | C21 | C20 | H20 | 174.0° | 67.4° |
| O22 | C21 | H21 | H211 | 120.1° | 120.1° |
| C21 | O22 | C23 | H231 | 54.5° | 57.4° |
| C21 | O22 | C23 | H23 | 174.2° | 177.5° |
| C23 | O22 | C21 | H21 | 173.2° | 57.4° |
| C23 | O22 | C21 | H211 | 53.2° | 177.5° |
| O22 | C23 | H231 | H23 | 119.7° | 120.1° |
| O22 | C23 | C24 | H24 | 171.6° | 67.2° |
| O22 | C23 | C24 | H241 | 67.9° | 172.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C1 | H12 | 1.2° | 155.4° |
| C3 | C2 | C1 | H1 | 118.6° | 35.5° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C2 | C7 | H7 | 179.9° | 179.7° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | C6 | C7 | H7 | 179.9° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.9° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 179.7° |
| H12 | C1 | C8 | H8 | 97.9° | 175.4° |
| H1 | C1 | C8 | H8 | 142.2° | 64.5° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.3° |
| H7 | C7 | C6 | H6 | 0.1° | 0.3° |
| H9 | C9 | C8 | H8 | 143.2° | 21.0° |
| H9 | C9 | C10 | H101 | 33.8° | 35.8° |
| H9 | C9 | C10 | H10 | 155.6° | 88.1° |
| H91 | C9 | C8 | H8 | 21.5° | 144.0° |
| H91 | C9 | C10 | H101 | 87.9° | 159.0° |
| H91 | C9 | C10 | H10 | 33.9° | 35.1° |
| H101 | C10 | C11 | H11 | 90.9° | 37.8° |
| H101 | C10 | C11 | H111 | 30.7° | 160.1° |
| H10 | C10 | C11 | H11 | 31.0° | 86.0° |
| H10 | C10 | C11 | H111 | 152.6° | 36.3° |
| H201 | C20 | C21 | H21 | 54.6° | 52.1° |
| H201 | C20 | C21 | H211 | 174.6° | 68.1° |
| H20 | C20 | C21 | H21 | 66.0° | 172.6° |
| H20 | C20 | C21 | H211 | 54.0° | 52.5° |
| H231 | C23 | C24 | H24 | 51.5° | 172.9° |
| H231 | C23 | C24 | H241 | 172.0° | 52.3° |
| H23 | C23 | C24 | H24 | 68.3° | 52.7° |
| H23 | C23 | C24 | H241 | 52.2° | 68.0° |
