OZ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| O25 | C23 | doub | 1.21Å | 1.21Å | |
| C22 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | O26 | sing | 1.34Å | 1.34Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | N20 | sing | 1.47Å | 1.51Å | |
| N20 | C6 | sing | 1.38Å | 1.39Å | |
| N19 | C15 | trip | 1.14Å | 1.14Å | |
| C15 | C7 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C3 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.37Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.44Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.42Å | 1.45Å | Aromatic |
| C5 | N16 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.49Å | |
| C8 | N17 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N17 | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | C1 | doub | 1.41Å | 1.41Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| N16 | C1 | sing | 1.31Å | 1.32Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C18 | sing | 1.48Å | 1.49Å | |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | F32 | sing | 1.35Å | 1.35Å | |
| C28 | C33 | sing | 1.51Å | 1.51Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| N20 | H14 | sing | 1.01Å | 1.00Å | |
| O26 | H15 | sing | 0.97Å | 0.95Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C30 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.08Å | 1.08Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C24 | 113.9° | 109.4° |
| C22 | C21 | H5 | 109.5° | 109.5° |
| C22 | C21 | H6 | 109.5° | 109.5° |
| C22 | C21 | H7 | 109.5° | 109.4° |
| C21 | C22 | H8 | 108.3° | 109.4° |
| C21 | C22 | H9 | 108.3° | 109.5° |
| O25 | C23 | O26 | 121.7° | 120.0° |
| O25 | C23 | C24 | 117.9° | 120.0° |
| C22 | C24 | C23 | 109.4° | 109.4° |
| C22 | C24 | N20 | 122.0° | 109.5° |
| C24 | C22 | H8 | 108.4° | 109.5° |
| C24 | C22 | H9 | 108.3° | 109.5° |
| C22 | C24 | H10 | 104.1° | 109.5° |
| O26 | C23 | C24 | 120.4° | 120.0° |
| C23 | O26 | H15 | 109.5° | 117.0° |
| C23 | C24 | N20 | 110.5° | 109.4° |
| C23 | C24 | H10 | 104.5° | 109.5° |
| C24 | N20 | C6 | 121.0° | 111.0° |
| N20 | C24 | H10 | 104.5° | 109.5° |
| C24 | N20 | H14 | 106.5° | 111.0° |
| N20 | C6 | C7 | 124.2° | 121.2° |
| N20 | C6 | C3 | 118.8° | 121.1° |
| C6 | N20 | H14 | 106.5° | 111.0° |
| N19 | C15 | C7 | 177.3° | 180.0° |
| C15 | C7 | C6 | 118.8° | 120.4° |
| C15 | C7 | C8 | 121.4° | 120.4° |
| C7 | C6 | C3 | 116.9° | 117.7° |
| C6 | C7 | C8 | 119.8° | 119.3° |
| C6 | C3 | C4 | 120.5° | 122.0° |
| C6 | C3 | C2 | 119.8° | 119.4° |
| C11 | C10 | C9 | 117.7° | 120.0° |
| C10 | C11 | C12 | 121.6° | 120.0° |
| C11 | C10 | H3 | 121.1° | 120.0° |
| C10 | C11 | H12 | 119.2° | 119.9° |
| C10 | C9 | C8 | 120.0° | 120.0° |
| C10 | C9 | C14 | 120.5° | 120.0° |
| C9 | C10 | H3 | 121.2° | 120.0° |
| C3 | C4 | C5 | 117.4° | 118.7° |
| C4 | C3 | C2 | 119.7° | 118.6° |
| C3 | C4 | H1 | 121.3° | 120.6° |
| C4 | C5 | N16 | 122.0° | 121.6° |
| C5 | C4 | H1 | 121.3° | 120.6° |
| C4 | C5 | H2 | 119.0° | 119.2° |
| C7 | C8 | C9 | 118.5° | 119.3° |
| C7 | C8 | N17 | 122.5° | 121.5° |
| C11 | C12 | C18 | 121.1° | 120.0° |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C12 | C11 | H12 | 119.2° | 120.0° |
| C3 | C2 | N17 | 121.1° | 120.4° |
| C3 | C2 | C1 | 117.4° | 118.2° |
| C5 | N16 | C1 | 123.6° | 122.8° |
| N16 | C5 | H2 | 119.0° | 119.2° |
| C9 | C8 | N17 | 119.1° | 119.2° |
| C8 | C9 | C14 | 119.4° | 120.0° |
| C8 | N17 | C2 | 119.8° | 121.7° |
| N17 | C2 | C1 | 121.5° | 121.4° |
| C2 | C1 | N16 | 119.8° | 120.1° |
| C2 | C1 | H11 | 120.1° | 120.0° |
| C9 | C14 | C13 | 120.5° | 120.0° |
| C9 | C14 | H13 | 119.8° | 120.0° |
| N16 | C1 | H11 | 120.1° | 120.0° |
| C30 | C31 | C18 | 119.3° | 119.9° |
| C31 | C30 | C29 | 121.3° | 120.2° |
| C31 | C30 | H17 | 119.4° | 119.9° |
| C30 | C31 | H18 | 120.3° | 120.0° |
| C31 | C18 | C12 | 121.3° | 120.1° |
| C31 | C18 | C27 | 119.0° | 119.7° |
| C18 | C31 | H18 | 120.4° | 120.1° |
| C18 | C12 | C13 | 119.2° | 120.0° |
| C12 | C18 | C27 | 119.7° | 120.2° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C12 | C13 | H4 | 120.0° | 120.0° |
| C30 | C29 | C28 | 119.4° | 120.3° |
| C30 | C29 | H16 | 120.3° | 119.9° |
| C29 | C30 | H17 | 119.4° | 119.9° |
| C18 | C27 | C28 | 121.5° | 119.8° |
| C18 | C27 | F32 | 120.2° | 120.1° |
| C14 | C13 | H4 | 120.0° | 120.0° |
| C13 | C14 | H13 | 119.7° | 120.0° |
| C29 | C28 | C27 | 119.5° | 120.1° |
| C29 | C28 | C33 | 122.0° | 120.0° |
| C28 | C29 | H16 | 120.3° | 119.9° |
| C28 | C27 | F32 | 118.3° | 120.1° |
| C27 | C28 | C33 | 118.5° | 119.9° |
| C28 | C33 | H19 | 109.5° | 109.5° |
| C28 | C33 | H20 | 109.5° | 109.5° |
| C28 | C33 | H21 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H5 | C21 | H7 | 109.5° | 109.4° |
| H6 | C21 | H7 | 109.4° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H19 | C33 | H20 | 109.4° | 109.4° |
| H19 | C33 | H21 | 109.5° | 109.4° |
| H20 | C33 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C24 | H8 | 120.7° | 119.9° |
| C21 | C22 | C24 | H9 | 120.6° | 120.0° |
| C21 | C22 | C24 | C23 | 40.5° | 175.8° |
| C21 | C22 | C24 | N20 | 90.7° | 64.3° |
| C22 | C21 | H5 | H6 | 120.0° | 120.1° |
| C22 | C21 | H5 | H7 | 120.0° | 119.9° |
| C22 | C21 | H6 | H7 | 120.0° | 120.0° |
| C21 | C22 | H8 | H9 | 118.0° | 120.0° |
| C21 | C22 | C24 | H10 | 151.8° | 55.8° |
| O25 | C23 | C24 | C22 | 65.3° | 120.0° |
| O25 | C23 | O26 | C24 | 178.3° | 179.9° |
| O25 | C23 | C24 | N20 | 157.6° | 0.1° |
| O25 | C23 | C24 | H10 | 45.7° | 120.0° |
| O25 | C23 | O26 | H15 | 0.0° | 0.0° |
| C22 | C24 | C23 | O26 | 116.3° | 60.0° |
| C22 | C24 | C23 | N20 | 137.1° | 120.0° |
| C22 | C24 | C23 | H10 | 111.0° | 120.0° |
| C22 | C24 | N20 | H10 | 117.3° | 120.1° |
| C22 | C24 | N20 | C6 | 30.9° | 157.0° |
| C24 | C22 | C21 | H5 | 180.0° | 175.8° |
| C24 | C22 | C21 | H6 | 60.0° | 55.7° |
| C24 | C22 | C21 | H7 | 60.0° | 64.3° |
| C24 | C22 | H8 | H9 | 118.0° | 120.0° |
| C22 | C24 | N20 | H14 | 90.7° | 33.1° |
| O26 | C23 | C24 | N20 | 20.8° | 180.0° |
| O26 | C23 | C24 | H10 | 132.6° | 60.0° |
| C23 | C24 | N20 | H10 | 111.9° | 120.0° |
| C23 | C24 | N20 | C6 | 161.7° | 83.0° |
| C23 | C24 | C22 | H8 | 80.2° | 64.3° |
| C23 | C24 | C22 | H9 | 161.1° | 55.8° |
| C23 | C24 | N20 | H14 | 40.1° | 153.0° |
| C24 | C23 | O26 | H15 | 178.3° | 180.0° |
| C24 | N20 | C6 | H14 | 121.6° | 124.0° |
| C24 | N20 | C6 | C7 | 41.8° | 68.2° |
| C24 | N20 | C6 | C3 | 139.4° | 111.8° |
| N20 | C24 | C22 | H8 | 148.6° | 55.6° |
| N20 | C24 | C22 | H9 | 29.9° | 175.7° |
| N20 | C6 | C7 | C15 | 1.5° | 0.0° |
| N20 | C6 | C7 | C3 | 178.8° | 180.0° |
| N20 | C6 | C3 | C4 | 1.8° | 0.0° |
| N20 | C6 | C7 | C8 | 178.1° | 180.0° |
| N20 | C6 | C3 | C2 | 178.2° | 180.0° |
| C6 | N20 | C24 | H10 | 86.4° | 37.0° |
| N19 | C15 | C7 | C6 | 177.7° | 177.8° |
| N19 | C15 | C7 | C8 | 2.8° | 2.1° |
| C15 | C7 | C6 | C8 | 179.6° | 180.0° |
| C15 | C7 | C6 | C3 | 177.3° | 180.0° |
| C15 | C7 | C8 | C9 | 0.3° | 0.0° |
| C15 | C7 | C8 | N17 | 179.1° | 180.0° |
| C7 | C6 | C3 | C4 | 177.1° | 180.0° |
| C7 | C6 | C3 | C2 | 2.9° | 0.0° |
| C6 | C7 | C8 | C9 | 179.2° | 180.0° |
| C6 | C7 | C8 | N17 | 1.3° | 0.1° |
| C7 | C6 | N20 | H14 | 163.4° | 55.8° |
| C6 | C3 | C4 | C2 | 180.0° | 180.0° |
| C6 | C3 | C4 | C5 | 177.6° | 180.0° |
| C3 | C6 | C7 | C8 | 3.1° | 0.1° |
| C6 | C3 | C2 | N17 | 0.9° | 0.1° |
| C6 | C3 | C2 | C1 | 179.9° | 179.9° |
| C6 | C3 | C4 | H1 | 2.4° | 0.3° |
| C3 | C6 | N20 | H14 | 17.8° | 124.2° |
| C11 | C10 | C9 | H3 | 180.0° | 179.7° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 178.6° | 180.0° |
| C11 | C10 | C9 | C14 | 0.3° | 0.0° |
| C10 | C11 | C12 | C18 | 178.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C9 | C8 | C7 | 52.7° | 145.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C9 | C8 | C14 | 178.3° | 179.9° |
| C10 | C9 | C8 | N17 | 127.9° | 35.0° |
| C10 | C9 | C14 | C13 | 0.6° | 0.1° |
| C9 | C10 | C11 | H12 | 180.0° | 179.9° |
| C10 | C9 | C14 | H13 | 179.4° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | N16 | 2.8° | 0.0° |
| C4 | C3 | C2 | N17 | 179.1° | 179.9° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | C4 | C5 | H2 | 177.2° | 179.9° |
| C5 | C4 | C3 | C2 | 2.4° | 0.0° |
| C4 | C5 | N16 | H2 | 180.0° | 179.9° |
| C4 | C5 | N16 | C1 | 0.6° | 0.1° |
| C7 | C8 | C9 | N17 | 179.5° | 180.0° |
| C7 | C8 | N17 | C2 | 0.8° | 0.0° |
| C7 | C8 | C9 | C14 | 125.6° | 35.0° |
| C11 | C12 | C18 | C31 | 38.4° | 50.0° |
| C11 | C12 | C18 | C13 | 178.9° | 180.0° |
| C11 | C12 | C18 | C27 | 142.4° | 130.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C11 | C10 | H3 | 180.0° | 179.7° |
| C11 | C12 | C13 | H4 | 179.8° | 180.0° |
| C3 | C2 | N17 | C8 | 1.0° | 0.1° |
| C3 | C2 | N17 | C1 | 179.2° | 179.9° |
| C3 | C2 | C1 | N16 | 2.4° | 0.1° |
| C2 | C3 | C4 | H1 | 177.6° | 179.7° |
| C3 | C2 | C1 | H11 | 177.6° | 180.0° |
| C5 | N16 | C1 | C2 | 2.1° | 0.0° |
| N16 | C5 | C4 | H1 | 177.2° | 179.7° |
| C5 | N16 | C1 | H11 | 177.9° | 180.0° |
| C9 | C8 | N17 | C2 | 178.6° | 180.0° |
| C8 | C9 | C14 | C13 | 178.8° | 180.0° |
| C8 | C9 | C10 | H3 | 1.4° | 0.3° |
| C8 | C9 | C14 | H13 | 1.2° | 0.0° |
| C8 | N17 | C2 | C1 | 178.1° | 179.9° |
| N17 | C8 | C9 | C14 | 53.8° | 144.9° |
| N17 | C2 | C1 | N16 | 176.9° | 179.9° |
| N17 | C2 | C1 | H11 | 3.2° | 0.1° |
| C2 | C1 | N16 | H11 | 180.0° | 180.0° |
| C9 | C14 | C13 | C12 | 0.5° | 0.1° |
| C9 | C14 | C13 | H13 | 180.0° | 180.0° |
| C14 | C9 | C10 | H3 | 179.7° | 179.7° |
| C9 | C14 | C13 | H4 | 179.5° | 179.9° |
| C1 | N16 | C5 | H2 | 179.4° | 179.9° |
| C30 | C31 | C18 | H18 | 180.0° | 179.8° |
| C30 | C31 | C18 | C12 | 179.9° | 179.8° |
| C31 | C30 | C29 | H17 | 180.0° | 180.0° |
| C30 | C31 | C18 | C27 | 0.9° | 0.3° |
| C31 | C30 | C29 | C28 | 1.0° | 0.0° |
| C31 | C30 | C29 | H16 | 179.0° | 179.9° |
| C31 | C18 | C12 | C27 | 179.2° | 180.0° |
| C31 | C18 | C12 | C13 | 142.7° | 130.0° |
| C18 | C31 | C30 | C29 | 0.2° | 0.2° |
| C31 | C18 | C27 | C28 | 0.5° | 0.0° |
| C31 | C18 | C27 | F32 | 178.9° | 180.0° |
| C18 | C31 | C30 | H17 | 179.8° | 179.7° |
| C18 | C12 | C13 | C14 | 179.1° | 180.0° |
| C12 | C18 | C27 | C28 | 179.8° | 180.0° |
| C12 | C18 | C27 | F32 | 0.3° | 0.0° |
| C18 | C12 | C13 | H4 | 0.9° | 0.0° |
| C18 | C12 | C11 | H12 | 1.1° | 0.1° |
| C12 | C18 | C31 | H18 | 0.2° | 0.1° |
| C13 | C12 | C18 | C27 | 36.5° | 50.0° |
| C12 | C13 | C14 | H4 | 180.0° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C12 | C13 | C14 | H13 | 179.5° | 180.0° |
| C30 | C29 | C28 | H16 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 1.4° | 0.2° |
| C30 | C29 | C28 | C33 | 180.0° | 180.0° |
| C29 | C30 | C31 | H18 | 179.8° | 179.9° |
| C18 | C27 | C28 | C29 | 0.6° | 0.2° |
| C18 | C27 | C28 | F32 | 179.5° | 180.0° |
| C18 | C27 | C28 | C33 | 179.3° | 180.0° |
| C27 | C18 | C31 | H18 | 179.1° | 179.9° |
| C29 | C28 | C27 | C33 | 178.7° | 179.8° |
| C29 | C28 | C27 | F32 | 179.9° | 179.8° |
| C28 | C29 | C30 | H17 | 179.0° | 179.9° |
| C29 | C28 | C33 | H19 | 89.3° | 90.2° |
| C29 | C28 | C33 | H20 | 150.7° | 29.7° |
| C29 | C28 | C33 | H21 | 30.7° | 149.8° |
| C27 | C28 | C29 | H16 | 178.6° | 179.7° |
| C27 | C28 | C33 | H19 | 89.4° | 90.0° |
| C27 | C28 | C33 | H20 | 30.6° | 150.0° |
| C27 | C28 | C33 | H21 | 150.6° | 30.0° |
| F32 | C27 | C28 | C33 | 1.2° | 0.0° |
| C33 | C28 | C29 | H16 | 0.0° | 0.1° |
| C28 | C33 | H19 | H20 | 120.0° | 120.0° |
| C28 | C33 | H19 | H21 | 120.0° | 120.0° |
| C28 | C33 | H20 | H21 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 2.8° | 0.4° |
| H3 | C10 | C11 | H12 | 0.0° | 0.2° |
| H4 | C13 | C14 | H13 | 0.5° | 0.0° |
| H5 | C21 | H6 | H7 | 120.0° | 120.0° |
| H5 | C21 | C22 | H8 | 59.3° | 55.8° |
| H5 | C21 | C22 | H9 | 59.3° | 64.2° |
| H6 | C21 | C22 | H8 | 60.7° | 64.2° |
| H6 | C21 | C22 | H9 | 179.4° | 175.7° |
| H7 | C21 | C22 | H8 | 179.4° | 175.8° |
| H7 | C21 | C22 | H9 | 60.7° | 55.7° |
| H8 | C22 | C24 | H10 | 31.1° | 175.7° |
| H9 | C22 | C24 | H10 | 87.6° | 64.2° |
| H10 | C24 | N20 | H14 | 152.0° | 87.0° |
| H16 | C29 | C30 | H17 | 0.9° | 0.0° |
| H17 | C30 | C31 | H18 | 0.2° | 0.1° |
| H19 | C33 | H20 | H21 | 120.0° | 119.9° |
