OZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C1 | C5 | sing | 1.54Å | 1.59Å | |
| C1 | O8 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.54Å | 1.56Å | |
| C2 | O9 | sing | 1.43Å | 1.45Å | |
| C3 | O4 | sing | 1.44Å | 1.46Å | |
| C3 | N7 | sing | 1.46Å | 1.42Å | |
| O4 | C5 | sing | 1.45Å | 1.43Å | |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C6 | C10 | doub | 1.31Å | 1.32Å | |
| N7 | C26 | sing | 1.36Å | 1.43Å | |
| N7 | C29 | sing | 1.36Å | 1.38Å | |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C11 | N12 | sing | 1.46Å | 1.44Å | |
| N12 | C13 | sing | 1.35Å | 1.33Å | |
| C13 | C14 | sing | 1.48Å | 1.47Å | |
| C13 | O23 | doub | 1.22Å | 1.28Å | |
| C14 | C15 | doub | 1.40Å | 1.44Å | Aromatic |
| C14 | C19 | sing | 1.40Å | 1.35Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | O21 | sing | 1.36Å | 1.30Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | O22 | sing | 1.36Å | 1.40Å | |
| C17 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | N20 | sing | 1.48Å | 1.45Å | |
| N20 | O24 | doub | 1.22Å | 1.19Å | |
| N20 | O25 | sing | 1.22Å | 1.22Å | |
| C26 | C27 | doub | 1.35Å | 1.37Å | |
| C27 | C28 | sing | 1.41Å | 1.45Å | |
| C28 | C30 | sing | 1.42Å | 1.48Å | |
| C28 | O31 | doub | 1.22Å | 1.22Å | |
| C29 | C30 | doub | 1.35Å | 1.34Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 97.5° | 104.1° |
| C2 | C1 | O8 | 110.3° | 110.5° |
| C1 | C2 | C3 | 102.4° | 104.1° |
| C1 | C2 | O9 | 116.9° | 110.5° |
| C2 | C1 | H1 | 116.5° | 110.5° |
| C1 | C2 | H2 | 109.1° | 110.5° |
| C5 | C1 | O8 | 109.6° | 110.5° |
| C1 | C5 | O4 | 107.3° | 104.8° |
| C1 | C5 | C6 | 109.1° | 110.4° |
| C5 | C1 | H1 | 117.1° | 110.5° |
| C1 | C5 | H5 | 111.3° | 110.4° |
| O8 | C1 | H1 | 105.7° | 110.6° |
| C1 | O8 | HO8 | 109.5° | 114.0° |
| C3 | C2 | O9 | 108.7° | 110.5° |
| C2 | C3 | O4 | 100.2° | 104.8° |
| C2 | C3 | N7 | 119.5° | 110.4° |
| C3 | C2 | H2 | 117.4° | 110.5° |
| C2 | C3 | H3 | 108.9° | 110.4° |
| O9 | C2 | H2 | 102.9° | 110.6° |
| C2 | O9 | HO9 | 109.5° | 114.0° |
| O4 | C3 | N7 | 108.1° | 110.3° |
| C3 | O4 | C5 | 109.8° | 105.3° |
| O4 | C3 | H3 | 120.1° | 110.3° |
| C3 | N7 | C26 | 118.7° | 119.2° |
| C3 | N7 | C29 | 124.1° | 119.3° |
| N7 | C3 | H3 | 101.2° | 110.5° |
| O4 | C5 | C6 | 110.1° | 110.4° |
| O4 | C5 | H5 | 110.4° | 110.3° |
| C5 | C6 | C10 | 123.0° | 120.0° |
| C6 | C5 | H5 | 108.6° | 110.4° |
| C5 | C6 | H6 | 118.5° | 120.0° |
| C6 | C10 | C11 | 123.5° | 120.0° |
| C10 | C6 | H6 | 118.5° | 120.0° |
| C6 | C10 | H10 | 118.2° | 120.0° |
| C26 | N7 | C29 | 117.1° | 121.5° |
| N7 | C26 | C27 | 121.2° | 120.7° |
| N7 | C26 | H26 | 119.4° | 119.7° |
| N7 | C29 | C30 | 125.1° | 120.7° |
| N7 | C29 | H29 | 117.4° | 119.6° |
| C10 | C11 | N12 | 108.8° | 109.5° |
| C11 | C10 | H10 | 118.2° | 120.0° |
| C10 | C11 | H11 | 109.7° | 109.5° |
| C10 | C11 | H11A | 109.7° | 109.5° |
| C11 | N12 | C13 | 123.3° | 120.0° |
| N12 | C11 | H11 | 109.7° | 109.5° |
| N12 | C11 | H11A | 109.7° | 109.5° |
| C11 | N12 | HN12 | 118.4° | 120.0° |
| N12 | C13 | C14 | 120.9° | 120.0° |
| N12 | C13 | O23 | 118.6° | 120.0° |
| C13 | N12 | HN12 | 118.4° | 120.0° |
| C14 | C13 | O23 | 120.5° | 120.0° |
| C13 | C14 | C15 | 122.8° | 120.2° |
| C13 | C14 | C19 | 118.0° | 120.2° |
| C15 | C14 | C19 | 119.1° | 119.7° |
| C14 | C15 | C16 | 116.3° | 119.7° |
| C14 | C15 | O21 | 121.1° | 120.2° |
| C14 | C19 | C18 | 123.9° | 120.0° |
| C14 | C19 | H19 | 118.0° | 120.0° |
| C16 | C15 | O21 | 122.6° | 120.1° |
| C15 | C16 | C17 | 126.2° | 120.0° |
| C15 | C16 | O22 | 115.2° | 120.0° |
| C15 | O21 | HO21 | 109.5° | 114.0° |
| C17 | C16 | O22 | 118.6° | 120.0° |
| C16 | C17 | C18 | 114.6° | 120.4° |
| C16 | C17 | H17 | 122.7° | 119.9° |
| C16 | O22 | HO22 | 109.5° | 113.9° |
| C17 | C18 | C19 | 119.8° | 120.3° |
| C17 | C18 | N20 | 116.6° | 119.9° |
| C18 | C17 | H17 | 122.7° | 119.8° |
| C19 | C18 | N20 | 123.4° | 119.8° |
| C18 | C19 | H19 | 118.0° | 120.0° |
| C18 | N20 | O24 | 120.7° | 120.0° |
| C18 | N20 | O25 | 118.0° | 120.0° |
| O24 | N20 | O25 | 121.3° | 120.0° |
| C26 | C27 | C28 | 121.0° | 119.3° |
| C27 | C26 | H26 | 119.4° | 119.7° |
| C26 | C27 | H27 | 119.5° | 120.3° |
| C27 | C28 | C30 | 115.8° | 118.6° |
| C27 | C28 | O31 | 121.2° | 120.7° |
| C28 | C27 | H27 | 119.5° | 120.4° |
| C30 | C28 | O31 | 123.0° | 120.7° |
| C28 | C30 | C29 | 119.5° | 119.3° |
| C28 | C30 | H30 | 120.2° | 120.4° |
| C30 | C29 | H29 | 117.4° | 119.7° |
| C29 | C30 | H30 | 120.3° | 120.4° |
| H11 | C11 | H11A | 109.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | O8 | 114.7° | 118.7° |
| C2 | C1 | C5 | H1 | 124.9° | 118.6° |
| C2 | C1 | O8 | H1 | 126.7° | 122.6° |
| C1 | C2 | C3 | O9 | 124.4° | 118.6° |
| C1 | C2 | C3 | H2 | 119.5° | 118.7° |
| C1 | C2 | O9 | H2 | 119.6° | 122.7° |
| C1 | C2 | C3 | O4 | 46.6° | 24.0° |
| C1 | C2 | C3 | N7 | 164.2° | 142.8° |
| C2 | C1 | C5 | O4 | 26.1° | 23.9° |
| C2 | C1 | C5 | C6 | 93.2° | 142.8° |
| C1 | C2 | C3 | H3 | 80.4° | 94.8° |
| C2 | C1 | C5 | H5 | 147.0° | 94.8° |
| C2 | C1 | O8 | HO8 | 180.0° | 179.9° |
| C1 | C2 | O9 | HO9 | 180.0° | 61.5° |
| C5 | C1 | O8 | H1 | 127.1° | 122.7° |
| C5 | C1 | C2 | C3 | 43.2° | 0.0° |
| C5 | C1 | C2 | O9 | 161.9° | 118.7° |
| C1 | C5 | O4 | C3 | 2.5° | 40.5° |
| C1 | C5 | O4 | C6 | 118.7° | 118.9° |
| C1 | C5 | O4 | H5 | 121.5° | 118.8° |
| C1 | C5 | C6 | H5 | 121.5° | 122.3° |
| C1 | C5 | C6 | C10 | 137.7° | 125.0° |
| C5 | C1 | C2 | H2 | 81.8° | 118.6° |
| C1 | C5 | C6 | H6 | 42.3° | 55.0° |
| C5 | C1 | O8 | HO8 | 73.8° | 65.4° |
| O8 | C1 | C2 | C3 | 71.0° | 118.6° |
| O8 | C1 | C2 | O9 | 47.7° | 0.0° |
| O8 | C1 | C5 | O4 | 88.6° | 142.6° |
| O8 | C1 | C5 | C6 | 152.1° | 98.6° |
| O8 | C1 | C2 | H2 | 164.0° | 122.7° |
| O8 | C1 | C5 | H5 | 32.3° | 23.8° |
| C3 | C2 | O9 | H2 | 125.1° | 122.7° |
| C2 | C3 | O4 | N7 | 125.8° | 118.8° |
| C2 | C3 | O4 | H3 | 119.0° | 118.8° |
| C2 | C3 | N7 | H3 | 119.4° | 122.4° |
| C2 | C3 | O4 | C5 | 29.6° | 40.5° |
| C2 | C3 | N7 | C26 | 40.4° | 115.0° |
| C2 | C3 | N7 | C29 | 142.0° | 65.3° |
| C3 | C2 | C1 | H1 | 168.6° | 118.7° |
| C3 | C2 | O9 | HO9 | 64.7° | 176.1° |
| O9 | C2 | C3 | O4 | 170.9° | 142.6° |
| O9 | C2 | C3 | N7 | 71.4° | 98.6° |
| O9 | C2 | C1 | H1 | 72.7° | 122.7° |
| O9 | C2 | C3 | H3 | 44.0° | 23.8° |
| O4 | C3 | N7 | H3 | 127.1° | 122.3° |
| C3 | O4 | C5 | C6 | 121.2° | 159.3° |
| O4 | C3 | N7 | C26 | 73.1° | 129.6° |
| O4 | C3 | N7 | C29 | 104.5° | 50.1° |
| O4 | C3 | C2 | H2 | 72.9° | 94.7° |
| C3 | O4 | C5 | H5 | 119.0° | 78.3° |
| N7 | C3 | O4 | C5 | 155.4° | 159.3° |
| C3 | N7 | C26 | C29 | 177.8° | 179.7° |
| C3 | N7 | C26 | C27 | 178.9° | 179.9° |
| C3 | N7 | C29 | C30 | 179.3° | 179.7° |
| N7 | C3 | C2 | H2 | 44.8° | 24.1° |
| C3 | N7 | C26 | H26 | 1.1° | 0.0° |
| C3 | N7 | C29 | H29 | 0.7° | 0.0° |
| O4 | C5 | C6 | H5 | 121.0° | 122.3° |
| O4 | C5 | C6 | C10 | 104.8° | 9.6° |
| O4 | C5 | C1 | H1 | 151.0° | 94.7° |
| C5 | O4 | C3 | H3 | 89.4° | 78.3° |
| O4 | C5 | C6 | H6 | 75.2° | 170.4° |
| C5 | C6 | C10 | H6 | 180.0° | 180.0° |
| C5 | C6 | C10 | C11 | 179.8° | 180.0° |
| C6 | C5 | C1 | H1 | 31.7° | 24.2° |
| C5 | C6 | C10 | H10 | 0.2° | 0.0° |
| C6 | C10 | C11 | H10 | 180.0° | 180.0° |
| C6 | C10 | C11 | N12 | 159.4° | 125.0° |
| C10 | C6 | C5 | H5 | 16.1° | 112.7° |
| C6 | C10 | C11 | H11 | 39.4° | 115.0° |
| C6 | C10 | C11 | H11A | 80.6° | 5.0° |
| N7 | C26 | C27 | H26 | 180.0° | 179.9° |
| N7 | C26 | C27 | C28 | 2.6° | 0.1° |
| C26 | N7 | C29 | C30 | 3.1° | 0.6° |
| C26 | N7 | C3 | H3 | 159.8° | 7.3° |
| N7 | C26 | C27 | H27 | 177.5° | 180.0° |
| C26 | N7 | C29 | H29 | 177.0° | 179.7° |
| C29 | N7 | C26 | C27 | 1.2° | 0.4° |
| N7 | C29 | C30 | C28 | 1.1° | 0.6° |
| N7 | C29 | C30 | H29 | 180.0° | 179.7° |
| C29 | N7 | C3 | H3 | 22.6° | 172.4° |
| C29 | N7 | C26 | H26 | 178.9° | 179.7° |
| N7 | C29 | C30 | H30 | 178.9° | 179.7° |
| C10 | C11 | N12 | H11 | 120.0° | 120.0° |
| C10 | C11 | N12 | H11A | 120.0° | 120.0° |
| C10 | C11 | N12 | C13 | 154.7° | 180.0° |
| C11 | C10 | C6 | H6 | 0.2° | 0.1° |
| C10 | C11 | H11 | H11A | 120.3° | 120.0° |
| C10 | C11 | N12 | HN12 | 25.3° | 0.0° |
| C11 | N12 | C13 | HN12 | 180.0° | 180.0° |
| C11 | N12 | C13 | C14 | 175.2° | 180.0° |
| C11 | N12 | C13 | O23 | 4.4° | 0.1° |
| N12 | C11 | C10 | H10 | 20.7° | 55.0° |
| N12 | C11 | H11 | H11A | 120.3° | 120.0° |
| N12 | C13 | C14 | O23 | 179.6° | 180.0° |
| N12 | C13 | C14 | C15 | 12.9° | 180.0° |
| N12 | C13 | C14 | C19 | 163.3° | 0.3° |
| C13 | N12 | C11 | H11 | 34.7° | 60.0° |
| C13 | N12 | C11 | H11A | 85.3° | 60.0° |
| C13 | C14 | C15 | C19 | 176.2° | 179.7° |
| C13 | C14 | C15 | C16 | 178.0° | 180.0° |
| C13 | C14 | C15 | O21 | 4.9° | 0.0° |
| C13 | C14 | C19 | C18 | 177.4° | 179.7° |
| C14 | C13 | N12 | HN12 | 4.8° | 0.0° |
| C13 | C14 | C19 | H19 | 2.6° | 0.0° |
| O23 | C13 | C14 | C15 | 167.4° | 0.0° |
| O23 | C13 | C14 | C19 | 16.3° | 179.8° |
| O23 | C13 | N12 | HN12 | 175.6° | 180.0° |
| C14 | C15 | C16 | O21 | 177.1° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | O22 | 178.5° | 180.0° |
| C15 | C14 | C19 | C18 | 1.0° | 0.6° |
| C15 | C14 | C19 | H19 | 179.0° | 179.8° |
| C14 | C15 | O21 | HO21 | 180.0° | 90.0° |
| C19 | C14 | C15 | C16 | 1.8° | 0.2° |
| C19 | C14 | C15 | O21 | 178.9° | 179.8° |
| C14 | C19 | C18 | C17 | 1.5° | 0.6° |
| C14 | C19 | C18 | H19 | 180.0° | 179.7° |
| C14 | C19 | C18 | N20 | 177.6° | 179.7° |
| C15 | C16 | C17 | O22 | 178.5° | 179.9° |
| C15 | C16 | C17 | C18 | 2.3° | 0.0° |
| C15 | C16 | C17 | H17 | 177.7° | 180.0° |
| C16 | C15 | O21 | HO21 | 3.0° | 90.1° |
| C15 | C16 | O22 | HO22 | 180.0° | 90.0° |
| O21 | C15 | C16 | C17 | 177.2° | 180.0° |
| O21 | C15 | C16 | O22 | 1.4° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 3.0° | 0.3° |
| C16 | C17 | C18 | N20 | 179.3° | 180.0° |
| C17 | C16 | O22 | HO22 | 1.3° | 90.0° |
| O22 | C16 | C17 | C18 | 179.2° | 179.9° |
| O22 | C16 | C17 | H17 | 0.8° | 0.1° |
| C17 | C18 | C19 | N20 | 176.1° | 179.7° |
| C17 | C18 | N20 | O24 | 8.3° | 0.0° |
| C17 | C18 | N20 | O25 | 171.5° | 180.0° |
| C17 | C18 | C19 | H19 | 178.5° | 179.7° |
| C19 | C18 | N20 | O24 | 167.9° | 179.7° |
| C19 | C18 | N20 | O25 | 12.3° | 0.3° |
| C19 | C18 | C17 | H17 | 177.0° | 179.7° |
| C18 | N20 | O24 | O25 | 179.8° | 180.0° |
| N20 | C18 | C17 | H17 | 0.6° | 0.0° |
| N20 | C18 | C19 | H19 | 2.4° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C30 | 4.3° | 0.1° |
| C26 | C27 | C28 | O31 | 173.1° | 180.0° |
| C27 | C28 | C30 | O31 | 177.4° | 180.0° |
| C27 | C28 | C30 | C29 | 2.6° | 0.3° |
| C28 | C27 | C26 | H26 | 177.4° | 180.0° |
| C27 | C28 | C30 | H30 | 177.4° | 180.0° |
| C28 | C30 | C29 | H30 | 180.0° | 179.7° |
| C30 | C28 | C27 | H27 | 175.7° | 180.0° |
| C28 | C30 | C29 | H29 | 178.9° | 179.7° |
| O31 | C28 | C30 | C29 | 174.8° | 179.8° |
| O31 | C28 | C27 | H27 | 6.9° | 0.1° |
| O31 | C28 | C30 | H30 | 5.2° | 0.0° |
| H1 | C1 | C2 | H2 | 43.5° | 0.0° |
| H1 | C1 | C5 | H5 | 88.1° | 146.5° |
| H1 | C1 | O8 | HO8 | 53.3° | 57.3° |
| H2 | C2 | C3 | H3 | 160.1° | 146.5° |
| H2 | C2 | O9 | HO9 | 60.4° | 61.2° |
| H5 | C5 | C6 | H6 | 163.9° | 67.3° |
| H6 | C6 | C10 | H10 | 179.8° | 180.0° |
| H10 | C10 | C11 | H11 | 140.6° | 65.0° |
| H10 | C10 | C11 | H11A | 99.4° | 175.0° |
| H11 | C11 | N12 | HN12 | 145.3° | 120.0° |
| H11A | C11 | N12 | HN12 | 94.7° | 120.0° |
| H26 | C26 | C27 | H27 | 2.6° | 0.1° |
| H29 | C29 | C30 | H30 | 1.1° | 0.0° |
