ZRU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | N23 | sing | 1.46Å | 1.46Å | |
| C24 | C26 | sing | 1.53Å | 1.46Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| O22 | C21 | doub | 1.22Å | 1.26Å | |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | N23 | sing | 1.35Å | 1.38Å | |
| C21 | C18 | sing | 1.46Å | 1.38Å | |
| C5 | N4 | doub | 1.32Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.41Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.34Å | Aromatic |
| C17 | N16 | doub | 1.30Å | 1.36Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C19 | N20 | sing | 1.33Å | 1.33Å | Aromatic |
| C19 | N15 | sing | 1.37Å | 1.36Å | Aromatic |
| N20 | C10 | doub | 1.33Å | 1.36Å | Aromatic |
| N16 | N15 | sing | 1.40Å | 1.36Å | Aromatic |
| C8 | N9 | sing | 1.40Å | 1.37Å | |
| C8 | C3 | doub | 1.40Å | 1.42Å | Aromatic |
| N15 | C12 | sing | 1.37Å | 1.32Å | Aromatic |
| C10 | N9 | sing | 1.38Å | 1.35Å | |
| C10 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| N4 | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| C12 | C11 | doub | 1.37Å | 1.42Å | Aromatic |
| C12 | N13 | sing | 1.38Å | 1.35Å | |
| C3 | O2 | sing | 1.36Å | 1.35Å | |
| N13 | C14 | sing | 1.47Å | 1.49Å | |
| O2 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| N13 | H8 | sing | 0.97Å | 1.00Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| N23 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| N9 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 118.6° | 119.3° |
| C6 | C7 | C8 | 120.3° | 118.5° |
| C7 | C6 | H5 | 120.7° | 120.3° |
| C6 | C7 | H6 | 119.9° | 120.8° |
| C6 | C5 | N4 | 120.7° | 121.0° |
| C6 | C5 | H4 | 119.7° | 119.5° |
| C5 | C6 | H5 | 120.7° | 120.4° |
| N23 | C24 | C26 | 110.3° | 117.5° |
| N23 | C24 | C25 | 112.1° | 117.5° |
| C24 | N23 | C21 | 124.0° | 120.0° |
| N23 | C24 | H10 | 120.2° | 115.6° |
| C24 | N23 | H15 | 118.0° | 120.0° |
| C26 | C24 | C25 | 61.0° | 60.0° |
| C24 | C26 | C25 | 61.2° | 60.0° |
| C26 | C24 | H10 | 120.2° | 117.5° |
| C24 | C26 | H13 | 119.8° | 117.5° |
| C24 | C26 | H14 | 119.8° | 117.5° |
| C24 | C25 | C26 | 57.9° | 60.0° |
| C25 | C24 | H10 | 119.1° | 117.5° |
| C24 | C25 | H11 | 120.4° | 117.5° |
| C24 | C25 | H12 | 120.3° | 117.5° |
| O22 | C21 | N23 | 123.7° | 120.0° |
| O22 | C21 | C18 | 122.3° | 120.0° |
| C7 | C8 | N9 | 125.4° | 120.5° |
| C7 | C8 | C3 | 118.8° | 119.0° |
| C8 | C7 | H6 | 119.9° | 120.8° |
| N23 | C21 | C18 | 114.0° | 120.0° |
| C21 | N23 | H15 | 118.0° | 120.0° |
| C21 | C18 | C17 | 126.6° | 126.6° |
| C21 | C18 | C19 | 126.9° | 126.5° |
| C5 | N4 | C3 | 120.1° | 121.7° |
| N4 | C5 | H4 | 119.6° | 119.5° |
| C17 | C18 | C19 | 106.5° | 106.9° |
| C18 | C17 | N16 | 109.7° | 108.7° |
| C18 | C17 | H9 | 125.1° | 125.6° |
| C18 | C19 | N20 | 131.8° | 132.5° |
| C18 | C19 | N15 | 109.1° | 106.7° |
| C17 | N16 | N15 | 106.5° | 109.6° |
| N16 | C17 | H9 | 125.1° | 125.7° |
| C26 | C25 | H11 | 120.3° | 117.5° |
| C26 | C25 | H12 | 120.3° | 117.5° |
| C25 | C26 | H13 | 119.8° | 117.5° |
| C25 | C26 | H14 | 119.8° | 117.5° |
| N20 | C19 | N15 | 119.1° | 120.9° |
| C19 | N20 | C10 | 122.0° | 121.0° |
| C19 | N15 | N16 | 108.0° | 108.1° |
| C19 | N15 | C12 | 124.0° | 119.8° |
| N20 | C10 | N9 | 122.6° | 119.9° |
| N20 | C10 | C11 | 118.7° | 120.1° |
| N16 | N15 | C12 | 128.0° | 132.1° |
| N9 | C8 | C3 | 115.5° | 120.5° |
| C8 | N9 | C10 | 125.7° | 120.0° |
| C8 | N9 | H19 | 117.2° | 120.0° |
| C8 | C3 | N4 | 121.5° | 120.5° |
| C8 | C3 | O2 | 117.0° | 119.7° |
| N15 | C12 | C11 | 117.7° | 119.1° |
| N15 | C12 | N13 | 119.3° | 120.4° |
| N9 | C10 | C11 | 118.4° | 120.0° |
| C10 | N9 | H19 | 117.1° | 120.0° |
| C10 | C11 | C12 | 118.4° | 119.2° |
| C10 | C11 | H7 | 120.8° | 120.4° |
| N4 | C3 | O2 | 121.5° | 119.7° |
| C11 | C12 | N13 | 122.9° | 120.5° |
| C12 | C11 | H7 | 120.8° | 120.4° |
| C12 | N13 | C14 | 118.2° | 120.0° |
| C12 | N13 | H8 | 107.3° | 120.1° |
| C3 | O2 | C1 | 120.5° | 117.0° |
| C14 | N13 | H8 | 107.3° | 120.0° |
| N13 | C14 | H16 | 109.5° | 109.4° |
| N13 | C14 | H17 | 109.5° | 109.4° |
| N13 | C14 | H18 | 109.5° | 109.5° |
| O2 | C1 | H1 | 109.5° | 109.4° |
| O2 | C1 | H2 | 109.5° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H11 | C25 | H12 | 109.5° | 115.5° |
| H13 | C26 | H14 | 109.5° | 115.5° |
| H16 | C14 | H17 | 109.4° | 109.5° |
| H16 | C14 | H18 | 109.5° | 109.6° |
| H17 | C14 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H5 | 180.0° | 179.8° |
| C6 | C7 | C8 | H6 | 180.0° | 179.7° |
| C7 | C6 | C5 | N4 | 1.7° | 0.2° |
| C6 | C7 | C8 | N9 | 176.1° | 180.0° |
| C6 | C7 | C8 | C3 | 2.9° | 0.0° |
| C7 | C6 | C5 | H4 | 178.3° | 179.8° |
| C5 | C6 | C7 | C8 | 1.0° | 0.2° |
| C6 | C5 | N4 | H4 | 180.0° | 180.0° |
| C6 | C5 | N4 | C3 | 2.4° | 0.0° |
| C5 | C6 | C7 | H6 | 179.0° | 180.0° |
| N23 | C24 | C26 | C25 | 104.7° | 107.5° |
| N23 | C24 | C26 | H10 | 146.6° | 145.0° |
| N23 | C24 | C25 | H10 | 147.8° | 145.1° |
| C24 | N23 | C21 | O22 | 0.3° | 0.0° |
| C24 | N23 | C21 | H15 | 180.0° | 180.0° |
| C24 | N23 | C21 | C18 | 178.1° | 180.0° |
| N23 | C24 | C25 | H11 | 149.4° | 145.0° |
| N23 | C24 | C25 | H12 | 7.2° | 0.1° |
| N23 | C24 | C26 | H13 | 5.1° | 0.0° |
| N23 | C24 | C26 | H14 | 145.5° | 145.0° |
| C26 | C24 | C25 | H10 | 110.5° | 107.5° |
| C26 | C24 | N23 | C21 | 66.8° | 155.0° |
| C24 | C26 | C25 | H13 | 109.8° | 107.6° |
| C24 | C26 | C25 | H14 | 109.8° | 107.5° |
| C26 | C24 | C25 | H11 | 108.9° | 107.5° |
| C26 | C24 | C25 | H12 | 108.9° | 107.5° |
| C24 | C26 | H13 | H14 | 144.1° | 145.7° |
| C26 | C24 | N23 | H15 | 113.2° | 25.0° |
| C25 | C24 | N23 | C21 | 132.7° | 136.4° |
| C24 | C25 | H11 | H12 | 145.9° | 145.6° |
| C25 | C24 | N23 | H15 | 47.3° | 43.6° |
| O22 | C21 | N23 | C18 | 178.4° | 180.0° |
| O22 | C21 | C18 | C17 | 2.7° | 180.0° |
| O22 | C21 | C18 | C19 | 178.5° | 0.0° |
| O22 | C21 | N23 | H15 | 179.7° | 180.0° |
| C7 | C8 | N9 | C3 | 173.4° | 179.9° |
| C7 | C8 | N9 | C10 | 33.4° | 19.0° |
| C7 | C8 | C3 | N4 | 2.2° | 0.2° |
| C7 | C8 | C3 | O2 | 179.4° | 180.0° |
| C8 | C7 | C6 | H5 | 179.0° | 179.9° |
| C7 | C8 | N9 | H19 | 146.6° | 161.0° |
| N23 | C21 | C18 | C17 | 178.9° | 0.1° |
| N23 | C21 | C18 | C19 | 0.1° | 180.0° |
| C21 | N23 | C24 | H10 | 79.9° | 9.4° |
| C21 | C18 | C17 | C19 | 179.0° | 180.0° |
| C21 | C18 | C17 | N16 | 177.9° | 179.9° |
| C21 | C18 | C19 | N20 | 1.3° | 0.4° |
| C21 | C18 | C19 | N15 | 179.8° | 180.0° |
| C21 | C18 | C17 | H9 | 2.1° | 0.1° |
| C18 | C21 | N23 | H15 | 1.9° | 0.0° |
| C5 | N4 | C3 | C8 | 0.4° | 0.2° |
| C5 | N4 | C3 | O2 | 177.9° | 180.0° |
| N4 | C5 | C6 | H5 | 178.3° | 179.9° |
| C18 | C17 | N16 | H9 | 180.0° | 180.0° |
| C17 | C18 | C19 | N20 | 179.7° | 179.7° |
| C17 | C18 | C19 | N15 | 0.8° | 0.0° |
| C18 | C17 | N16 | N15 | 2.5° | 0.1° |
| C19 | C18 | C17 | N16 | 1.0° | 0.1° |
| C18 | C19 | N20 | N15 | 178.9° | 179.7° |
| C18 | C19 | N20 | C10 | 178.7° | 180.0° |
| C18 | C19 | N15 | N16 | 2.3° | 0.0° |
| C18 | C19 | N15 | C12 | 179.7° | 179.9° |
| C19 | C18 | C17 | H9 | 178.9° | 179.9° |
| C17 | N16 | N15 | C19 | 2.9° | 0.0° |
| C17 | N16 | N15 | C12 | 179.9° | 180.0° |
| C26 | C25 | H11 | H12 | 145.9° | 145.7° |
| C25 | C26 | H13 | H14 | 144.1° | 145.6° |
| N20 | C19 | N15 | N16 | 178.6° | 179.7° |
| N20 | C19 | N15 | C12 | 1.2° | 0.3° |
| C19 | N20 | C10 | N9 | 176.9° | 180.0° |
| C19 | N20 | C10 | C11 | 2.9° | 0.0° |
| N15 | C19 | N20 | C10 | 0.2° | 0.3° |
| C19 | N15 | N16 | C12 | 177.2° | 179.9° |
| C19 | N15 | C12 | C11 | 0.3° | 0.0° |
| C19 | N15 | C12 | N13 | 177.5° | 180.0° |
| N20 | C10 | N9 | C8 | 8.9° | 6.1° |
| N20 | C10 | N9 | C11 | 174.0° | 180.0° |
| N20 | C10 | C11 | C12 | 4.3° | 0.3° |
| N20 | C10 | C11 | H7 | 175.7° | 180.0° |
| N20 | C10 | N9 | H19 | 171.1° | 173.9° |
| N16 | N15 | C12 | C11 | 176.5° | 180.0° |
| N16 | N15 | C12 | N13 | 0.7° | 0.1° |
| N15 | N16 | C17 | H9 | 177.5° | 179.9° |
| C8 | N9 | C10 | H19 | 180.0° | 180.0° |
| C8 | N9 | C10 | C11 | 177.1° | 173.9° |
| N9 | C8 | C3 | N4 | 176.1° | 179.8° |
| N9 | C8 | C3 | O2 | 5.6° | 0.0° |
| N9 | C8 | C7 | H6 | 3.9° | 0.3° |
| C3 | C8 | N9 | C10 | 153.2° | 161.0° |
| C8 | C3 | N4 | O2 | 178.3° | 179.8° |
| C8 | C3 | O2 | C1 | 165.9° | 180.0° |
| C3 | C8 | C7 | H6 | 177.1° | 179.8° |
| C3 | C8 | N9 | H19 | 26.8° | 19.0° |
| N15 | C12 | C11 | C10 | 3.0° | 0.3° |
| N15 | C12 | C11 | N13 | 177.1° | 180.0° |
| N15 | C12 | N13 | C14 | 148.1° | 179.9° |
| N15 | C12 | C11 | H7 | 177.0° | 180.0° |
| N15 | C12 | N13 | H8 | 90.6° | 0.1° |
| N9 | C10 | C11 | C12 | 178.5° | 179.7° |
| N9 | C10 | C11 | H7 | 1.5° | 0.0° |
| C10 | C11 | C12 | H7 | 180.0° | 179.7° |
| C10 | C11 | C12 | N13 | 179.9° | 179.7° |
| C11 | C10 | N9 | H19 | 2.9° | 6.0° |
| N4 | C3 | O2 | C1 | 15.8° | 0.2° |
| C3 | N4 | C5 | H4 | 177.6° | 180.0° |
| C11 | C12 | N13 | C14 | 28.9° | 0.0° |
| C11 | C12 | N13 | H8 | 92.4° | 180.0° |
| C12 | N13 | C14 | H8 | 121.3° | 180.0° |
| N13 | C12 | C11 | H7 | 0.1° | 0.0° |
| C12 | N13 | C14 | H16 | 180.0° | 179.9° |
| C12 | N13 | C14 | H17 | 60.0° | 60.0° |
| C12 | N13 | C14 | H18 | 60.0° | 59.9° |
| C3 | O2 | C1 | H1 | 180.0° | 180.0° |
| C3 | O2 | C1 | H2 | 60.0° | 60.1° |
| C3 | O2 | C1 | H3 | 60.0° | 60.0° |
| N13 | C14 | H16 | H17 | 120.0° | 119.9° |
| N13 | C14 | H16 | H18 | 120.0° | 120.1° |
| N13 | C14 | H17 | H18 | 120.0° | 120.0° |
| O2 | C1 | H1 | H2 | 120.0° | 120.0° |
| O2 | C1 | H1 | H3 | 120.0° | 120.0° |
| O2 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C5 | C6 | H5 | 1.7° | 0.0° |
| H5 | C6 | C7 | H6 | 1.0° | 0.2° |
| H8 | N13 | C14 | H16 | 58.7° | 0.1° |
| H8 | N13 | C14 | H17 | 178.7° | 120.0° |
| H8 | N13 | C14 | H18 | 61.3° | 120.0° |
| H10 | C24 | C25 | H11 | 1.6° | 0.0° |
| H10 | C24 | C25 | H12 | 140.6° | 145.0° |
| H10 | C24 | C26 | H13 | 141.5° | 145.0° |
| H10 | C24 | C26 | H14 | 1.1° | 0.0° |
| H10 | C24 | N23 | H15 | 100.2° | 170.7° |
| H11 | C25 | C26 | H13 | 141.3° | 145.0° |
| H11 | C25 | C26 | H14 | 0.9° | 0.0° |
| H12 | C25 | C26 | H13 | 0.9° | 0.0° |
| H12 | C25 | C26 | H14 | 141.4° | 145.0° |
| H16 | C14 | H17 | H18 | 120.0° | 120.1° |
