JZI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C13 | doub | 1.33Å | 1.33Å | |
| C1 | C2 | sing | 1.48Å | 1.47Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | C8 | sing | 1.51Å | 1.52Å | |
| N25 | C8 | sing | 1.46Å | 1.48Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C13 | sing | 1.51Å | 1.50Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| O11 | C10 | doub | 1.21Å | 1.34Å | |
| C10 | O12 | sing | 1.34Å | 1.20Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.42Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.41Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.36Å | 1.36Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | doub | 1.41Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.48Å | 1.48Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| N25 | C24 | sing | 1.35Å | 1.35Å | |
| C24 | O26 | doub | 1.22Å | 1.21Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C1 | C2 | 123.3° | 120.0° |
| C13 | C1 | H1 | 118.4° | 120.0° |
| C1 | C13 | C9 | 120.7° | 120.0° |
| C1 | C13 | H13 | 119.6° | 120.0° |
| C2 | C1 | H1 | 118.3° | 120.0° |
| C1 | C2 | C7 | 121.0° | 120.2° |
| C1 | C2 | C3 | 120.7° | 120.2° |
| C7 | C2 | C3 | 118.3° | 119.6° |
| C2 | C7 | C6 | 122.5° | 119.9° |
| C2 | C7 | H7 | 118.7° | 120.0° |
| C2 | C3 | C4 | 118.7° | 119.9° |
| C2 | C3 | H3 | 120.7° | 120.0° |
| C4 | C3 | H3 | 120.7° | 120.1° |
| C3 | C4 | C5 | 122.6° | 120.1° |
| C3 | C4 | H4 | 118.7° | 120.0° |
| C5 | C4 | H4 | 118.7° | 119.9° |
| C4 | C5 | C6 | 119.0° | 120.3° |
| C4 | C5 | H5 | 120.5° | 119.8° |
| C6 | C5 | H5 | 120.5° | 119.9° |
| C5 | C6 | C7 | 118.8° | 120.1° |
| C5 | C6 | H6 | 120.6° | 119.9° |
| C7 | C6 | H6 | 120.6° | 119.9° |
| C6 | C7 | H7 | 118.7° | 120.1° |
| C10 | C8 | N25 | 106.4° | 109.5° |
| C10 | C8 | C9 | 105.5° | 109.5° |
| C10 | C8 | H8 | 112.5° | 109.4° |
| C8 | C10 | O11 | 116.7° | 120.0° |
| C8 | C10 | O12 | 120.0° | 120.0° |
| N25 | C8 | C9 | 104.8° | 109.5° |
| N25 | C8 | H8 | 113.0° | 109.5° |
| C8 | N25 | C24 | 118.9° | 120.0° |
| C8 | N25 | HN25 | 120.5° | 120.0° |
| C9 | C8 | H8 | 113.9° | 109.5° |
| C8 | C9 | C13 | 111.2° | 109.4° |
| C8 | C9 | H9 | 108.9° | 109.5° |
| C8 | C9 | H9A | 108.9° | 109.4° |
| C13 | C9 | H9 | 108.9° | 109.5° |
| C13 | C9 | H9A | 108.9° | 109.5° |
| C9 | C13 | H13 | 119.6° | 120.0° |
| H9 | C9 | H9A | 110.1° | 109.5° |
| O11 | C10 | O12 | 123.3° | 120.0° |
| C10 | O12 | HO12 | 109.5° | 117.0° |
| C17 | C14 | C15 | 120.2° | 121.0° |
| C17 | C14 | H14 | 119.9° | 119.6° |
| C14 | C17 | C18 | 119.8° | 119.7° |
| C14 | C17 | H17 | 120.1° | 120.1° |
| C15 | C14 | H14 | 119.9° | 119.5° |
| C14 | C15 | C16 | 122.2° | 121.0° |
| C14 | C15 | H15 | 118.9° | 119.5° |
| C16 | C15 | H15 | 118.9° | 119.5° |
| C15 | C16 | C19 | 118.7° | 119.8° |
| C15 | C16 | H16 | 120.6° | 120.1° |
| C19 | C16 | H16 | 120.6° | 120.2° |
| C16 | C19 | C18 | 119.7° | 119.3° |
| C16 | C19 | C20 | 120.8° | 121.0° |
| C18 | C17 | H17 | 120.1° | 120.2° |
| C17 | C18 | C23 | 120.9° | 121.1° |
| C17 | C18 | C19 | 119.4° | 119.4° |
| C23 | C18 | C19 | 119.7° | 119.5° |
| C18 | C23 | C22 | 119.5° | 119.4° |
| C18 | C23 | H23 | 120.3° | 120.3° |
| C18 | C19 | C20 | 119.6° | 119.7° |
| C19 | C20 | C21 | 119.9° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C20 | C21 | C22 | 121.3° | 120.9° |
| C20 | C21 | H21 | 119.4° | 119.6° |
| C22 | C21 | H21 | 119.4° | 119.5° |
| C21 | C22 | C23 | 120.1° | 120.5° |
| C21 | C22 | C24 | 118.8° | 119.8° |
| C23 | C22 | C24 | 121.0° | 119.7° |
| C22 | C23 | H23 | 120.3° | 120.3° |
| C22 | C24 | N25 | 117.5° | 120.0° |
| C22 | C24 | O26 | 124.7° | 120.0° |
| N25 | C24 | O26 | 117.5° | 120.0° |
| C24 | N25 | HN25 | 120.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C1 | C2 | H1 | 180.0° | 179.6° |
| C13 | C1 | C2 | C7 | 163.8° | 0.2° |
| C13 | C1 | C2 | C3 | 16.4° | 179.9° |
| C1 | C13 | C9 | C8 | 97.6° | 125.0° |
| C1 | C13 | C9 | H13 | 180.0° | 180.0° |
| C1 | C13 | C9 | H9 | 142.4° | 5.0° |
| C1 | C13 | C9 | H9A | 22.4° | 115.1° |
| C1 | C2 | C7 | C3 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 0.1° | 0.1° |
| C1 | C2 | C7 | C6 | 179.9° | 179.8° |
| C1 | C2 | C7 | H7 | 0.1° | 0.0° |
| C2 | C1 | C13 | C9 | 179.6° | 180.0° |
| C2 | C1 | C13 | H13 | 0.5° | 0.0° |
| H1 | C1 | C2 | C7 | 16.2° | 179.4° |
| H1 | C1 | C2 | C3 | 163.7° | 0.3° |
| H1 | C1 | C13 | C9 | 0.5° | 0.4° |
| H1 | C1 | C13 | H13 | 179.5° | 179.7° |
| C7 | C2 | C3 | C4 | 0.1° | 0.3° |
| C7 | C2 | C3 | H3 | 179.9° | 179.8° |
| C2 | C7 | C6 | C5 | 0.0° | 0.5° |
| C2 | C7 | C6 | H7 | 180.0° | 179.8° |
| C2 | C7 | C6 | H6 | 180.0° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C2 | C7 | C6 | 0.0° | 0.5° |
| C3 | C2 | C7 | H7 | 180.0° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.2° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| H4 | C4 | C5 | C6 | 179.9° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C5 | C6 | C7 | H7 | 180.0° | 179.8° |
| H5 | C5 | C6 | C7 | 180.0° | 179.8° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| H6 | C6 | C7 | H7 | 0.0° | 0.1° |
| C10 | C8 | N25 | C9 | 111.5° | 120.0° |
| C10 | C8 | N25 | H8 | 123.9° | 119.9° |
| C10 | C8 | C9 | H8 | 123.8° | 119.9° |
| C10 | C8 | C9 | C13 | 178.9° | 175.0° |
| C10 | C8 | C9 | H9 | 61.1° | 55.0° |
| C10 | C8 | C9 | H9A | 58.9° | 65.0° |
| C8 | C10 | O11 | O12 | 179.4° | 180.0° |
| C8 | C10 | O12 | HO12 | 179.4° | 180.0° |
| C10 | C8 | N25 | C24 | 139.0° | 85.0° |
| C10 | C8 | N25 | HN25 | 41.0° | 95.0° |
| N25 | C8 | C9 | H8 | 124.0° | 120.0° |
| N25 | C8 | C9 | C13 | 66.7° | 64.9° |
| N25 | C8 | C9 | H9 | 173.3° | 175.0° |
| N25 | C8 | C9 | H9A | 53.3° | 55.0° |
| N25 | C8 | C10 | O11 | 6.6° | 0.1° |
| N25 | C8 | C10 | O12 | 173.9° | 180.0° |
| C8 | N25 | C24 | C22 | 177.3° | 180.0° |
| C8 | N25 | C24 | HN25 | 180.0° | 180.0° |
| C8 | N25 | C24 | O26 | 3.3° | 0.0° |
| C8 | C9 | C13 | H9 | 120.0° | 120.0° |
| C8 | C9 | C13 | H9A | 120.0° | 119.9° |
| C8 | C9 | H9 | H9A | 119.3° | 120.0° |
| C9 | C8 | C10 | O11 | 104.4° | 120.0° |
| C9 | C8 | C10 | O12 | 75.0° | 60.0° |
| C8 | C9 | C13 | H13 | 82.4° | 55.0° |
| C9 | C8 | N25 | C24 | 109.5° | 155.0° |
| C9 | C8 | N25 | HN25 | 70.5° | 25.0° |
| H8 | C8 | C9 | C13 | 57.3° | 55.1° |
| H8 | C8 | C9 | H9 | 62.7° | 65.0° |
| H8 | C8 | C9 | H9A | 177.3° | 175.0° |
| H8 | C8 | C10 | O11 | 130.9° | 120.0° |
| H8 | C8 | C10 | O12 | 49.7° | 60.0° |
| H8 | C8 | N25 | C24 | 15.0° | 35.0° |
| H8 | C8 | N25 | HN25 | 165.0° | 145.1° |
| C13 | C9 | H9 | H9A | 119.3° | 120.0° |
| H9 | C9 | C13 | H13 | 37.6° | 175.0° |
| H9A | C9 | C13 | H13 | 157.6° | 64.9° |
| O11 | C10 | O12 | HO12 | 0.0° | 0.0° |
| C17 | C14 | C15 | H14 | 180.0° | 179.8° |
| C17 | C14 | C15 | C16 | 0.1° | 0.0° |
| C17 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C17 | C18 | H17 | 180.0° | 180.0° |
| C14 | C17 | C18 | C23 | 179.9° | 180.0° |
| C14 | C17 | C18 | C19 | 0.1° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C19 | 0.1° | 0.0° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C14 | C17 | C18 | 0.0° | 0.0° |
| C15 | C14 | C17 | H17 | 179.9° | 179.9° |
| H14 | C14 | C15 | C16 | 179.9° | 179.7° |
| H14 | C14 | C15 | H15 | 0.1° | 0.2° |
| H14 | C14 | C17 | C18 | 180.0° | 179.8° |
| H14 | C14 | C17 | H17 | 0.0° | 0.3° |
| C15 | C16 | C19 | H16 | 180.0° | 180.0° |
| C15 | C16 | C19 | C18 | 0.0° | 0.0° |
| C15 | C16 | C19 | C20 | 180.0° | 180.0° |
| H15 | C15 | C16 | C19 | 179.9° | 180.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.0° |
| C16 | C19 | C18 | C17 | 0.1° | 0.0° |
| C16 | C19 | C18 | C23 | 179.9° | 180.0° |
| C16 | C19 | C18 | C20 | 180.0° | 180.0° |
| C16 | C19 | C20 | C21 | 179.9° | 180.0° |
| C16 | C19 | C20 | H20 | 0.1° | 0.0° |
| H16 | C16 | C19 | C18 | 180.0° | 180.0° |
| H16 | C16 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C23 | C19 | 179.8° | 179.9° |
| C17 | C18 | C19 | C20 | 179.9° | 179.9° |
| C17 | C18 | C23 | C22 | 180.0° | 180.0° |
| C17 | C18 | C23 | H23 | 0.0° | 0.1° |
| H17 | C17 | C18 | C23 | 0.1° | 0.1° |
| H17 | C17 | C18 | C19 | 179.9° | 180.0° |
| C23 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C23 | C22 | C21 | 0.2° | 0.0° |
| C18 | C23 | C22 | H23 | 180.0° | 180.0° |
| C18 | C23 | C22 | C24 | 179.4° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C19 | C18 | C23 | C22 | 0.2° | 0.0° |
| C19 | C18 | C23 | H23 | 179.8° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H21 | 179.9° | 179.9° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.0° | 0.0° |
| C20 | C21 | C22 | C24 | 179.6° | 180.0° |
| H20 | C20 | C21 | C22 | 179.8° | 180.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.1° |
| C21 | C22 | C23 | C24 | 179.6° | 180.0° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| C21 | C22 | C24 | N25 | 150.1° | 0.0° |
| C21 | C22 | C24 | O26 | 23.5° | 180.0° |
| H21 | C21 | C22 | C23 | 180.0° | 180.0° |
| H21 | C21 | C22 | C24 | 0.4° | 0.1° |
| C23 | C22 | C24 | N25 | 29.5° | 180.0° |
| C23 | C22 | C24 | O26 | 156.9° | 0.0° |
| C24 | C22 | C23 | H23 | 0.6° | 0.0° |
| C22 | C24 | N25 | O26 | 174.1° | 180.0° |
| C22 | C24 | N25 | HN25 | 2.7° | 0.0° |
| O26 | C24 | N25 | HN25 | 176.7° | 180.0° |
