JZH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.52Å | 1.54Å | |
| C8 | C26 | sing | 1.51Å | 1.49Å | |
| C9 | O10 | doub | 1.21Å | 1.23Å | |
| C9 | N11 | sing | 1.32Å | 1.34Å | |
| N11 | C12 | sing | 1.38Å | 1.39Å | |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.37Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.41Å | 1.44Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.51Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.43Å | Aromatic |
| C18 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | N21 | doub | 1.32Å | 1.34Å | Aromatic |
| N21 | C22 | sing | 1.33Å | 1.32Å | Aromatic |
| C22 | N23 | sing | 1.36Å | 1.40Å | Aromatic |
| C22 | C27 | doub | 1.42Å | 1.44Å | Aromatic |
| N23 | C25 | sing | 1.37Å | 1.37Å | Aromatic |
| C25 | C26 | doub | 1.34Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.46Å | 1.46Å | Aromatic |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 120.0° | 120.0° |
| O1 | C2 | C7 | 119.8° | 120.1° |
| C2 | O1 | HO1 | 109.5° | 114.0° |
| C3 | C2 | C7 | 120.2° | 119.9° |
| C2 | C3 | C4 | 119.5° | 120.0° |
| C2 | C3 | H3 | 120.3° | 120.0° |
| C2 | C7 | C6 | 120.8° | 119.9° |
| C2 | C7 | H7 | 119.6° | 120.0° |
| C3 | C4 | C5 | 120.9° | 120.1° |
| C4 | C3 | H3 | 120.3° | 120.0° |
| C3 | C4 | H4 | 119.6° | 120.0° |
| C4 | C5 | C6 | 120.5° | 120.1° |
| C4 | C5 | C8 | 128.4° | 120.0° |
| C5 | C4 | H4 | 119.5° | 120.0° |
| C6 | C5 | C8 | 110.8° | 119.9° |
| C5 | C6 | C7 | 118.1° | 120.1° |
| C5 | C6 | H6 | 121.0° | 120.0° |
| C5 | C8 | C9 | 110.4° | 110.2° |
| C5 | C8 | C26 | 131.2° | 110.3° |
| C5 | C8 | H8 | 89.1° | 110.2° |
| C7 | C6 | H6 | 121.0° | 119.9° |
| C6 | C7 | H7 | 119.6° | 120.1° |
| C9 | C8 | C26 | 112.4° | 105.6° |
| C8 | C9 | O10 | 116.0° | 119.8° |
| C8 | C9 | N11 | 132.1° | 120.4° |
| C9 | C8 | H8 | 124.8° | 110.2° |
| C8 | C26 | C25 | 121.3° | 127.9° |
| C8 | C26 | C27 | 127.6° | 124.2° |
| C26 | C8 | H8 | 85.3° | 110.3° |
| O10 | C9 | N11 | 111.4° | 119.8° |
| C9 | N11 | C12 | 127.3° | 126.7° |
| C9 | N11 | HN11 | 116.4° | 116.7° |
| N11 | C12 | C13 | 116.4° | 115.1° |
| N11 | C12 | C17 | 121.7° | 126.0° |
| C12 | N11 | HN11 | 116.3° | 116.6° |
| C13 | C12 | C17 | 121.8° | 118.9° |
| C12 | C13 | C14 | 121.2° | 121.1° |
| C12 | C13 | H13 | 119.4° | 119.4° |
| C12 | C17 | C16 | 115.6° | 119.4° |
| C12 | C17 | C18 | 129.1° | 124.9° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C14 | C13 | H13 | 119.4° | 119.4° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C14 | C15 | C16 | 117.8° | 119.7° |
| C15 | C14 | H14 | 120.2° | 120.0° |
| C14 | C15 | H15 | 121.1° | 120.1° |
| C15 | C16 | C17 | 123.9° | 120.9° |
| C16 | C15 | H15 | 121.1° | 120.2° |
| C15 | C16 | H16 | 118.1° | 119.6° |
| C16 | C17 | C18 | 115.1° | 115.7° |
| C17 | C16 | H16 | 118.1° | 119.5° |
| C17 | C18 | C19 | 118.1° | 118.2° |
| C17 | C18 | C27 | 128.9° | 126.5° |
| C19 | C18 | C27 | 112.6° | 115.2° |
| C18 | C19 | C20 | 122.0° | 120.5° |
| C18 | C19 | H19 | 119.0° | 119.8° |
| C18 | C27 | C22 | 122.9° | 120.9° |
| C18 | C27 | C26 | 135.2° | 134.0° |
| C19 | C20 | N21 | 123.2° | 123.4° |
| C20 | C19 | H19 | 119.0° | 119.7° |
| C19 | C20 | H20 | 118.4° | 118.3° |
| C20 | N21 | C22 | 119.8° | 118.8° |
| N21 | C20 | H20 | 118.4° | 118.3° |
| N21 | C22 | N23 | 128.7° | 131.4° |
| N21 | C22 | C27 | 119.5° | 121.0° |
| N23 | C22 | C27 | 111.8° | 107.5° |
| C22 | N23 | C25 | 106.1° | 109.9° |
| C22 | N23 | HN23 | 127.0° | 125.0° |
| C22 | C27 | C26 | 101.8° | 105.0° |
| N23 | C25 | C26 | 110.8° | 109.5° |
| C25 | N23 | HN23 | 126.9° | 125.1° |
| N23 | C25 | H25 | 124.6° | 125.2° |
| C25 | C26 | C27 | 109.3° | 107.9° |
| C26 | C25 | H25 | 124.6° | 125.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | C7 | 177.4° | 179.8° |
| O1 | C2 | C3 | C4 | 176.7° | 180.0° |
| O1 | C2 | C7 | C6 | 177.2° | 179.7° |
| O1 | C2 | C3 | H3 | 3.3° | 0.0° |
| O1 | C2 | C7 | H7 | 2.8° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 2.1° | 0.0° |
| C3 | C2 | C7 | C6 | 0.2° | 0.5° |
| C3 | C2 | O1 | HO1 | 180.0° | 90.0° |
| C2 | C3 | C4 | H4 | 178.0° | 180.0° |
| C3 | C2 | C7 | H7 | 179.8° | 179.7° |
| C7 | C2 | C3 | C4 | 0.7° | 0.2° |
| C2 | C7 | C6 | C5 | 1.1° | 0.5° |
| C2 | C7 | C6 | H7 | 180.0° | 179.8° |
| C7 | C2 | O1 | HO1 | 2.6° | 90.2° |
| C7 | C2 | C3 | H3 | 179.3° | 179.8° |
| C2 | C7 | C6 | H6 | 178.9° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 3.0° | 0.1° |
| C3 | C4 | C5 | C8 | 175.8° | 180.0° |
| C4 | C5 | C6 | C8 | 174.0° | 180.0° |
| C4 | C5 | C6 | C7 | 2.4° | 0.3° |
| C4 | C5 | C8 | C9 | 88.6° | 47.5° |
| C4 | C5 | C8 | C26 | 121.5° | 163.6° |
| C5 | C4 | C3 | H3 | 177.9° | 180.0° |
| C4 | C5 | C6 | H6 | 177.6° | 180.0° |
| C4 | C5 | C8 | H8 | 38.6° | 74.4° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C6 | C5 | C8 | C9 | 84.9° | 132.5° |
| C6 | C5 | C8 | C26 | 65.1° | 16.3° |
| C6 | C5 | C4 | H4 | 177.0° | 180.0° |
| C5 | C6 | C7 | H7 | 178.9° | 179.7° |
| C6 | C5 | C8 | H8 | 148.0° | 105.7° |
| C8 | C5 | C6 | C7 | 176.4° | 179.7° |
| C5 | C8 | C9 | C26 | 155.9° | 119.1° |
| C5 | C8 | C9 | H8 | 103.8° | 121.8° |
| C5 | C8 | C26 | H8 | 84.7° | 121.9° |
| C5 | C8 | C9 | O10 | 58.6° | 142.8° |
| C5 | C8 | C9 | N11 | 130.2° | 37.2° |
| C5 | C8 | C26 | C25 | 27.7° | 129.0° |
| C5 | C8 | C26 | C27 | 169.0° | 50.9° |
| C8 | C5 | C4 | H4 | 4.2° | 0.0° |
| C8 | C5 | C6 | H6 | 3.6° | 0.0° |
| C9 | C8 | C26 | H8 | 125.8° | 119.1° |
| C8 | C9 | O10 | N11 | 173.0° | 180.0° |
| C8 | C9 | N11 | C12 | 5.7° | 14.3° |
| C9 | C8 | C26 | C25 | 121.8° | 112.0° |
| C9 | C8 | C26 | C27 | 41.5° | 68.1° |
| C8 | C9 | N11 | HN11 | 174.3° | 165.8° |
| C26 | C8 | C9 | O10 | 97.3° | 98.1° |
| C26 | C8 | C9 | N11 | 73.9° | 81.8° |
| C8 | C26 | C27 | C18 | 12.4° | 1.6° |
| C8 | C26 | C27 | C22 | 167.8° | 177.5° |
| C8 | C26 | C25 | N23 | 169.8° | 179.1° |
| C8 | C26 | C25 | C27 | 166.0° | 179.9° |
| C8 | C26 | C25 | H25 | 10.2° | 0.8° |
| O10 | C9 | N11 | C12 | 177.2° | 165.7° |
| O10 | C9 | C8 | H8 | 162.5° | 21.0° |
| O10 | C9 | N11 | HN11 | 2.9° | 14.2° |
| C9 | N11 | C12 | HN11 | 180.0° | 179.9° |
| C9 | N11 | C12 | C13 | 117.1° | 109.3° |
| C9 | N11 | C12 | C17 | 65.2° | 70.6° |
| N11 | C9 | C8 | H8 | 26.4° | 159.1° |
| N11 | C12 | C13 | C17 | 177.7° | 179.9° |
| N11 | C12 | C13 | C14 | 177.9° | 178.9° |
| N11 | C12 | C17 | C16 | 179.3° | 178.4° |
| N11 | C12 | C17 | C18 | 6.2° | 2.9° |
| N11 | C12 | C13 | H13 | 2.1° | 1.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.1° |
| C13 | C12 | C17 | C16 | 1.7° | 1.5° |
| C13 | C12 | C17 | C18 | 176.2° | 177.2° |
| C13 | C12 | N11 | HN11 | 62.9° | 70.6° |
| C12 | C13 | C14 | H14 | 179.5° | 180.0° |
| C17 | C12 | C13 | C14 | 0.2° | 1.0° |
| C12 | C17 | C16 | C15 | 2.7° | 1.1° |
| C12 | C17 | C16 | C18 | 175.3° | 178.9° |
| C12 | C17 | C18 | C19 | 141.0° | 131.0° |
| C12 | C17 | C18 | C27 | 47.1° | 49.3° |
| C17 | C12 | N11 | HN11 | 114.8° | 109.5° |
| C17 | C12 | C13 | H13 | 179.8° | 179.1° |
| C12 | C17 | C16 | H16 | 177.3° | 178.9° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.4° | 0.6° |
| C13 | C14 | C15 | H15 | 179.6° | 179.4° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 2.1° | 0.0° |
| C15 | C14 | C13 | H13 | 179.5° | 179.9° |
| C14 | C15 | C16 | H16 | 177.9° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 178.0° | 177.8° |
| C16 | C15 | C14 | H14 | 179.6° | 179.5° |
| C16 | C17 | C18 | C19 | 44.4° | 47.8° |
| C16 | C17 | C18 | C27 | 127.5° | 131.9° |
| C17 | C16 | C15 | H15 | 177.9° | 180.0° |
| C17 | C18 | C19 | C27 | 173.2° | 179.7° |
| C17 | C18 | C19 | C20 | 173.6° | 178.5° |
| C17 | C18 | C27 | C22 | 172.4° | 177.1° |
| C17 | C18 | C27 | C26 | 7.3° | 3.8° |
| C18 | C17 | C16 | H16 | 2.0° | 2.2° |
| C17 | C18 | C19 | H19 | 6.4° | 1.4° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | N21 | 1.4° | 0.5° |
| C19 | C18 | C27 | C22 | 0.1° | 2.6° |
| C19 | C18 | C27 | C26 | 179.6° | 176.5° |
| C18 | C19 | C20 | H20 | 178.6° | 179.6° |
| C27 | C18 | C19 | C20 | 0.4° | 1.2° |
| C18 | C27 | C22 | N21 | 0.7° | 2.4° |
| C18 | C27 | C22 | N23 | 179.1° | 177.6° |
| C18 | C27 | C22 | C26 | 179.8° | 179.3° |
| C18 | C27 | C26 | C25 | 177.4° | 178.3° |
| C27 | C18 | C19 | H19 | 179.6° | 178.9° |
| C19 | C20 | N21 | H20 | 180.0° | 179.9° |
| C19 | C20 | N21 | C22 | 2.0° | 0.8° |
| C20 | N21 | C22 | N23 | 178.2° | 179.4° |
| C20 | N21 | C22 | C27 | 1.6° | 0.6° |
| N21 | C20 | C19 | H19 | 178.6° | 179.4° |
| N21 | C22 | N23 | C27 | 179.8° | 180.0° |
| N21 | C22 | N23 | C25 | 178.8° | 177.4° |
| N21 | C22 | C27 | C26 | 179.1° | 176.9° |
| C22 | N21 | C20 | H20 | 178.0° | 179.3° |
| N21 | C22 | N23 | HN23 | 1.3° | 2.7° |
| C22 | N23 | C25 | HN23 | 180.0° | 180.0° |
| C22 | N23 | C25 | C26 | 3.0° | 1.0° |
| N23 | C22 | C27 | C26 | 1.1° | 3.1° |
| C22 | N23 | C25 | H25 | 177.0° | 178.9° |
| C27 | C22 | N23 | C25 | 1.1° | 2.7° |
| C22 | C27 | C26 | C25 | 2.9° | 2.5° |
| C27 | C22 | N23 | HN23 | 178.9° | 177.3° |
| N23 | C25 | C26 | H25 | 180.0° | 179.9° |
| N23 | C25 | C26 | C27 | 3.8° | 1.0° |
| C25 | C26 | C8 | H8 | 112.3° | 7.1° |
| C26 | C25 | N23 | HN23 | 177.0° | 178.9° |
| C27 | C26 | C8 | H8 | 84.3° | 172.8° |
| C27 | C26 | C25 | H25 | 176.2° | 179.1° |
| H3 | C3 | C4 | H4 | 2.1° | 0.1° |
| H6 | C6 | C7 | H7 | 1.1° | 0.0° |
| H13 | C13 | C14 | H14 | 0.5° | 0.0° |
| H14 | C14 | C15 | H15 | 0.4° | 0.5° |
| H15 | C15 | C16 | H16 | 2.1° | 0.0° |
| H19 | C19 | C20 | H20 | 1.4° | 0.5° |
| HN23 | N23 | C25 | H25 | 3.0° | 1.2° |
