22Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C08 | sing | 1.39Å | 1.31Å | |
| N01 | C13 | sing | 1.46Å | 1.49Å | |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N02 | C12 | sing | 1.35Å | 1.37Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| N02 | HN0A | sing | 0.97Å | 1.00Å | |
| N03 | C15 | doub | 1.32Å | 1.38Å | Aromatic |
| N03 | C16 | sing | 1.32Å | 1.38Å | Aromatic |
| N04 | C10 | sing | 1.39Å | 1.28Å | |
| N04 | C19 | sing | 1.46Å | 1.47Å | |
| N04 | HN04 | sing | 0.97Å | 1.00Å | |
| N05 | C11 | sing | 1.48Å | 1.28Å | |
| N05 | O26 | sing | 1.22Å | 1.32Å | |
| N05 | O27 | doub | 1.22Å | 1.32Å | |
| C06 | C07 | doub | 1.40Å | 1.43Å | Aromatic |
| C06 | C11 | sing | 1.37Å | 1.42Å | Aromatic |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C07 | C08 | sing | 1.41Å | 1.45Å | Aromatic |
| C07 | C12 | sing | 1.47Å | 1.38Å | |
| C08 | C09 | doub | 1.39Å | 1.45Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | doub | 1.39Å | 1.44Å | Aromatic |
| C12 | O25 | doub | 1.22Å | 1.21Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | N01 | C13 | 124.9° | 119.9° |
| C08 | N01 | HN01 | 104.6° | 120.0° |
| N01 | C08 | C07 | 119.8° | 120.2° |
| N01 | C08 | C09 | 121.6° | 120.2° |
| C13 | N01 | HN01 | 104.6° | 120.1° |
| N01 | C13 | C14 | 110.2° | 109.4° |
| N01 | C13 | H13 | 109.2° | 109.5° |
| N01 | C13 | H13A | 109.2° | 109.5° |
| C12 | N02 | HN02 | 120.0° | 120.0° |
| C12 | N02 | HN0A | 120.0° | 120.0° |
| N02 | C12 | C07 | 119.7° | 120.0° |
| N02 | C12 | O25 | 119.2° | 120.0° |
| HN02 | N02 | HN0A | 120.0° | 120.0° |
| C15 | N03 | C16 | 117.7° | 121.7° |
| N03 | C15 | C14 | 123.1° | 120.8° |
| N03 | C15 | H15 | 118.5° | 119.6° |
| N03 | C16 | C17 | 123.3° | 120.8° |
| N03 | C16 | H16 | 118.4° | 119.6° |
| C10 | N04 | C19 | 120.7° | 120.0° |
| C10 | N04 | HN04 | 105.9° | 120.0° |
| N04 | C10 | C09 | 119.6° | 119.8° |
| N04 | C10 | C11 | 120.4° | 119.9° |
| C19 | N04 | HN04 | 105.9° | 120.0° |
| N04 | C19 | C20 | 109.6° | 109.5° |
| N04 | C19 | H19 | 109.4° | 109.5° |
| N04 | C19 | H19A | 109.4° | 109.4° |
| C11 | N05 | O26 | 120.4° | 120.0° |
| C11 | N05 | O27 | 121.0° | 120.0° |
| N05 | C11 | C06 | 119.4° | 119.8° |
| N05 | C11 | C10 | 121.4° | 119.8° |
| O26 | N05 | O27 | 118.6° | 120.0° |
| C07 | C06 | C11 | 121.7° | 120.1° |
| C07 | C06 | H06 | 119.2° | 120.0° |
| C06 | C07 | C08 | 119.7° | 119.7° |
| C06 | C07 | C12 | 118.2° | 120.1° |
| C11 | C06 | H06 | 119.2° | 119.9° |
| C06 | C11 | C10 | 119.2° | 120.4° |
| C08 | C07 | C12 | 122.1° | 120.2° |
| C07 | C08 | C09 | 118.6° | 119.6° |
| C07 | C12 | O25 | 121.1° | 120.0° |
| C08 | C09 | C10 | 120.9° | 119.8° |
| C08 | C09 | H09 | 119.6° | 120.1° |
| C10 | C09 | H09 | 119.6° | 120.1° |
| C09 | C10 | C11 | 120.0° | 120.3° |
| C14 | C13 | H13 | 109.2° | 109.4° |
| C14 | C13 | H13A | 109.2° | 109.5° |
| C13 | C14 | C15 | 121.4° | 120.4° |
| C13 | C14 | C18 | 120.7° | 120.4° |
| H13 | C13 | H13A | 109.7° | 109.5° |
| C15 | C14 | C18 | 117.9° | 119.1° |
| C14 | C15 | H15 | 118.5° | 119.6° |
| C14 | C18 | C17 | 120.2° | 118.4° |
| C14 | C18 | H18 | 119.9° | 120.7° |
| C17 | C16 | H16 | 118.3° | 119.6° |
| C16 | C17 | C18 | 117.9° | 119.1° |
| C16 | C17 | H17 | 121.1° | 120.5° |
| C18 | C17 | H17 | 121.1° | 120.3° |
| C17 | C18 | H18 | 119.9° | 120.8° |
| C20 | C19 | H19 | 109.4° | 109.5° |
| C20 | C19 | H19A | 109.5° | 109.5° |
| C19 | C20 | C21 | 109.8° | 109.5° |
| C19 | C20 | H20 | 109.4° | 109.4° |
| C19 | C20 | H20A | 109.3° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| C21 | C20 | H20 | 109.3° | 109.5° |
| C21 | C20 | H20A | 109.4° | 109.5° |
| C20 | C21 | C22 | 109.7° | 109.5° |
| C20 | C21 | H21 | 109.4° | 109.5° |
| C20 | C21 | H21A | 109.4° | 109.5° |
| H20 | C20 | H20A | 109.6° | 109.5° |
| C22 | C21 | H21 | 109.4° | 109.5° |
| C22 | C21 | H21A | 109.4° | 109.5° |
| C21 | C22 | C23 | 109.7° | 109.5° |
| C21 | C22 | H22 | 109.4° | 109.5° |
| C21 | C22 | H22A | 109.4° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| C23 | C22 | H22 | 109.4° | 109.4° |
| C23 | C22 | H22A | 109.4° | 109.5° |
| C22 | C23 | C24 | 109.3° | 109.5° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H23A | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| C24 | C23 | H23 | 109.5° | 109.5° |
| C24 | C23 | H23A | 109.5° | 109.5° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C23 | C24 | H24A | 109.4° | 109.5° |
| C23 | C24 | H24B | 109.5° | 109.4° |
| H23 | C23 | H23A | 109.4° | 109.4° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.4° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | N01 | C13 | HN01 | 120.0° | 179.7° |
| N01 | C08 | C07 | C06 | 179.9° | 180.0° |
| N01 | C08 | C07 | C09 | 179.8° | 180.0° |
| N01 | C08 | C07 | C12 | 0.1° | 0.0° |
| N01 | C08 | C09 | C10 | 180.0° | 180.0° |
| N01 | C08 | C09 | H09 | 0.0° | 0.0° |
| C08 | N01 | C13 | C14 | 94.0° | 180.0° |
| C08 | N01 | C13 | H13 | 146.0° | 60.0° |
| C08 | N01 | C13 | H13A | 26.0° | 60.0° |
| C13 | N01 | C08 | C07 | 162.7° | 173.4° |
| C13 | N01 | C08 | C09 | 17.4° | 6.6° |
| N01 | C13 | C14 | H13 | 120.0° | 120.0° |
| N01 | C13 | C14 | H13A | 120.0° | 120.0° |
| N01 | C13 | H13 | H13A | 119.7° | 120.1° |
| N01 | C13 | C14 | C15 | 49.4° | 90.0° |
| N01 | C13 | C14 | C18 | 130.2° | 90.0° |
| HN01 | N01 | C08 | C07 | 77.2° | 6.9° |
| HN01 | N01 | C08 | C09 | 102.6° | 173.1° |
| HN01 | N01 | C13 | C14 | 26.0° | 0.3° |
| HN01 | N01 | C13 | H13 | 93.9° | 120.2° |
| HN01 | N01 | C13 | H13A | 146.0° | 119.7° |
| C12 | N02 | HN02 | HN0A | 180.0° | 179.9° |
| N02 | C12 | C07 | C06 | 28.2° | 6.1° |
| N02 | C12 | C07 | C08 | 151.6° | 173.8° |
| N02 | C12 | C07 | O25 | 179.6° | 180.0° |
| HN02 | N02 | C12 | C07 | 179.5° | 0.0° |
| HN02 | N02 | C12 | O25 | 0.0° | 180.0° |
| HN0A | N02 | C12 | C07 | 0.4° | 180.0° |
| HN0A | N02 | C12 | O25 | 180.0° | 0.0° |
| N03 | C15 | C14 | C13 | 179.7° | 180.0° |
| N03 | C15 | C14 | H15 | 180.0° | 180.0° |
| N03 | C15 | C14 | C18 | 0.0° | 0.0° |
| C15 | N03 | C16 | C17 | 0.0° | 0.1° |
| C15 | N03 | C16 | H16 | 180.0° | 180.0° |
| C16 | N03 | C15 | C14 | 0.0° | 0.0° |
| C16 | N03 | C15 | H15 | 180.0° | 180.0° |
| N03 | C16 | C17 | H16 | 180.0° | 179.9° |
| N03 | C16 | C17 | C18 | 0.0° | 0.1° |
| N03 | C16 | C17 | H17 | 179.9° | 179.9° |
| C10 | N04 | C19 | HN04 | 120.0° | 180.0° |
| N04 | C10 | C11 | N05 | 0.3° | 0.0° |
| N04 | C10 | C11 | C06 | 180.0° | 180.0° |
| N04 | C10 | C09 | C08 | 180.0° | 180.0° |
| N04 | C10 | C09 | C11 | 179.9° | 180.0° |
| N04 | C10 | C09 | H09 | 0.0° | 0.0° |
| C10 | N04 | C19 | C20 | 137.5° | 180.0° |
| C10 | N04 | C19 | H19 | 102.5° | 60.0° |
| C10 | N04 | C19 | H19A | 17.5° | 60.0° |
| C19 | N04 | C10 | C09 | 87.5° | 5.9° |
| C19 | N04 | C10 | C11 | 92.6° | 174.1° |
| N04 | C19 | C20 | H19 | 120.0° | 120.0° |
| N04 | C19 | C20 | H19A | 120.0° | 120.0° |
| N04 | C19 | H19 | H19A | 119.9° | 120.0° |
| N04 | C19 | C20 | C21 | 73.8° | 180.0° |
| N04 | C19 | C20 | H20 | 46.2° | 60.0° |
| N04 | C19 | C20 | H20A | 166.1° | 60.0° |
| HN04 | N04 | C10 | C09 | 32.5° | 174.1° |
| HN04 | N04 | C10 | C11 | 147.4° | 5.9° |
| HN04 | N04 | C19 | C20 | 17.5° | 0.0° |
| HN04 | N04 | C19 | H19 | 137.5° | 120.0° |
| HN04 | N04 | C19 | H19A | 102.5° | 120.0° |
| C11 | N05 | O26 | O27 | 178.5° | 180.0° |
| N05 | C11 | C06 | C07 | 179.8° | 180.0° |
| N05 | C11 | C06 | C10 | 179.8° | 180.0° |
| N05 | C11 | C06 | H06 | 0.2° | 0.3° |
| N05 | C11 | C10 | C09 | 179.6° | 180.0° |
| O26 | N05 | C11 | C06 | 144.6° | 37.4° |
| O26 | N05 | C11 | C10 | 35.2° | 142.6° |
| O27 | N05 | C11 | C06 | 33.8° | 142.6° |
| O27 | N05 | C11 | C10 | 146.4° | 37.4° |
| C07 | C06 | C11 | H06 | 180.0° | 179.7° |
| C06 | C07 | C08 | C12 | 179.8° | 179.9° |
| C06 | C07 | C08 | C09 | 0.3° | 0.0° |
| C07 | C06 | C11 | C10 | 0.0° | 0.1° |
| C06 | C07 | C12 | O25 | 151.3° | 173.9° |
| C11 | C06 | C07 | C08 | 0.2° | 0.0° |
| C11 | C06 | C07 | C12 | 180.0° | 180.0° |
| C06 | C11 | C10 | C09 | 0.2° | 0.0° |
| H06 | C06 | C07 | C08 | 179.8° | 179.7° |
| H06 | C06 | C07 | C12 | 0.0° | 0.3° |
| H06 | C06 | C11 | C10 | 180.0° | 179.8° |
| C07 | C08 | C09 | C10 | 0.1° | 0.0° |
| C07 | C08 | C09 | H09 | 179.9° | 180.0° |
| C08 | C07 | C12 | O25 | 28.9° | 6.2° |
| C12 | C07 | C08 | C09 | 179.9° | 179.9° |
| C08 | C09 | C10 | H09 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| H09 | C09 | C10 | C11 | 179.9° | 180.0° |
| C14 | C13 | H13 | H13A | 119.6° | 120.0° |
| C13 | C14 | C15 | C18 | 179.7° | 180.0° |
| C13 | C14 | C15 | H15 | 0.3° | 0.0° |
| C13 | C14 | C18 | C17 | 179.8° | 180.0° |
| C13 | C14 | C18 | H18 | 0.2° | 0.0° |
| H13 | C13 | C14 | C15 | 70.6° | 30.0° |
| H13 | C13 | C14 | C18 | 109.8° | 150.0° |
| H13A | C13 | C14 | C15 | 169.5° | 150.0° |
| H13A | C13 | C14 | C18 | 10.2° | 30.0° |
| C15 | C14 | C18 | C17 | 0.1° | 0.0° |
| C15 | C14 | C18 | H18 | 179.9° | 180.0° |
| C18 | C14 | C15 | H15 | 180.0° | 180.0° |
| C14 | C18 | C17 | C16 | 0.1° | 0.0° |
| C14 | C18 | C17 | H18 | 180.0° | 180.0° |
| C14 | C18 | C17 | H17 | 179.9° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| H16 | C16 | C17 | C18 | 179.9° | 180.0° |
| H16 | C16 | C17 | H17 | 0.1° | 0.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| C20 | C19 | H19 | H19A | 120.0° | 120.0° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20A | 119.8° | 120.0° |
| C19 | C20 | C21 | C22 | 172.3° | 180.0° |
| C19 | C20 | C21 | H21 | 67.7° | 60.0° |
| C19 | C20 | C21 | H21A | 52.3° | 60.0° |
| H19 | C19 | C20 | C21 | 166.2° | 60.0° |
| H19 | C19 | C20 | H20 | 73.8° | 180.0° |
| H19 | C19 | C20 | H20A | 46.2° | 60.0° |
| H19A | C19 | C20 | C21 | 46.2° | 60.0° |
| H19A | C19 | C20 | H20 | 166.2° | 60.0° |
| H19A | C19 | C20 | H20A | 73.9° | 180.0° |
| C21 | C20 | H20 | H20A | 119.9° | 120.0° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 120.0° | 120.0° |
| C20 | C21 | H21 | H21A | 119.9° | 120.0° |
| C20 | C21 | C22 | C23 | 152.0° | 180.0° |
| C20 | C21 | C22 | H22 | 88.0° | 60.1° |
| C20 | C21 | C22 | H22A | 32.0° | 60.0° |
| H20 | C20 | C21 | C22 | 52.3° | 60.0° |
| H20 | C20 | C21 | H21 | 172.3° | 180.0° |
| H20 | C20 | C21 | H21A | 67.7° | 60.0° |
| H20A | C20 | C21 | C22 | 67.7° | 60.0° |
| H20A | C20 | C21 | H21 | 52.3° | 60.0° |
| H20A | C20 | C21 | H21A | 172.3° | NaN° |
| C22 | C21 | H21 | H21A | 119.9° | 120.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.0° |
| C21 | C22 | C23 | H22A | 120.0° | 120.0° |
| C21 | C22 | H22 | H22A | 119.9° | 120.1° |
| C21 | C22 | C23 | C24 | 145.6° | 180.0° |
| C21 | C22 | C23 | H23 | 25.6° | 60.0° |
| C21 | C22 | C23 | H23A | 94.4° | 60.0° |
| H21 | C21 | C22 | C23 | 32.0° | 60.0° |
| H21 | C21 | C22 | H22 | 152.0° | 179.9° |
| H21 | C21 | C22 | H22A | 88.0° | 60.0° |
| H21A | C21 | C22 | C23 | 88.0° | 60.0° |
| H21A | C21 | C22 | H22 | 32.0° | 59.9° |
| H21A | C21 | C22 | H22A | 152.0° | 180.0° |
| C23 | C22 | H22 | H22A | 119.9° | 120.0° |
| C22 | C23 | C24 | H23 | 120.0° | 120.0° |
| C22 | C23 | C24 | H23A | 120.0° | 120.1° |
| C22 | C23 | H23 | H23A | 120.0° | 120.0° |
| C22 | C23 | C24 | H24 | 180.0° | 59.9° |
| C22 | C23 | C24 | H24A | 60.0° | 180.0° |
| C22 | C23 | C24 | H24B | 60.0° | 60.0° |
| H22 | C22 | C23 | C24 | 94.4° | 60.0° |
| H22 | C22 | C23 | H23 | 145.6° | 179.9° |
| H22 | C22 | C23 | H23A | 25.6° | 60.0° |
| H22A | C22 | C23 | C24 | 25.6° | 60.0° |
| H22A | C22 | C23 | H23 | 94.4° | 60.1° |
| H22A | C22 | C23 | H23A | 145.6° | 180.0° |
| C24 | C23 | H23 | H23A | 120.1° | 120.0° |
| C23 | C24 | H24 | H24A | 120.0° | 120.1° |
| C23 | C24 | H24 | H24B | 120.0° | 119.9° |
| C23 | C24 | H24A | H24B | 120.0° | 120.0° |
| H23 | C23 | C24 | H24 | 60.0° | 60.1° |
| H23 | C23 | C24 | H24A | 180.0° | 60.0° |
| H23 | C23 | C24 | H24B | 60.0° | 180.0° |
| H23A | C23 | C24 | H24 | 60.0° | 180.0° |
| H23A | C23 | C24 | H24A | 60.0° | 60.0° |
| H23A | C23 | C24 | H24B | 180.0° | 60.0° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
