18Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C16 | sing | 1.35Å | 1.37Å | |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N01 | HN0A | sing | 0.97Å | 1.00Å | |
| N02 | C14 | sing | 1.39Å | 1.29Å | |
| N02 | C22 | sing | 1.47Å | 1.48Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| N03 | C12 | sing | 1.39Å | 1.32Å | |
| N03 | C17 | sing | 1.46Å | 1.50Å | |
| N03 | HN03 | sing | 0.97Å | 1.00Å | |
| N04 | C19 | doub | 1.32Å | 1.37Å | Aromatic |
| N04 | C20 | sing | 1.32Å | 1.36Å | Aromatic |
| N05 | C20 | doub | 1.33Å | 1.36Å | Aromatic |
| N05 | C21 | sing | 1.32Å | 1.37Å | Aromatic |
| N06 | C20 | sing | 1.38Å | 1.27Å | |
| N06 | HN06 | sing | 0.97Å | 1.00Å | |
| N06 | HN0B | sing | 0.97Å | 1.00Å | |
| N07 | C23 | sing | 1.47Å | 1.44Å | |
| N07 | C24 | sing | 1.47Å | 1.47Å | |
| N07 | C27 | sing | 1.47Å | 1.47Å | |
| N08 | C25 | sing | 1.47Å | 1.45Å | |
| N08 | C26 | sing | 1.47Å | 1.45Å | |
| N08 | HN08 | sing | 1.01Å | 1.00Å | |
| N09 | C15 | sing | 1.48Å | 1.30Å | |
| N09 | O29 | sing | 1.22Å | 1.32Å | |
| N09 | O30 | doub | 1.22Å | 1.32Å | |
| C10 | C11 | doub | 1.40Å | 1.44Å | Aromatic |
| C10 | C15 | sing | 1.36Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.41Å | 1.44Å | Aromatic |
| C11 | C16 | sing | 1.47Å | 1.38Å | |
| C12 | C13 | doub | 1.39Å | 1.45Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.39Å | 1.44Å | Aromatic |
| C16 | O28 | doub | 1.22Å | 1.23Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N01 | HN01 | 120.0° | 120.0° |
| C16 | N01 | HN0A | 120.0° | 120.0° |
| N01 | C16 | C11 | 120.1° | 120.0° |
| N01 | C16 | O28 | 118.9° | 120.0° |
| HN01 | N01 | HN0A | 120.0° | 120.0° |
| C14 | N02 | C22 | 122.4° | 120.0° |
| C14 | N02 | HN02 | 105.4° | 120.0° |
| N02 | C14 | C13 | 120.4° | 119.9° |
| N02 | C14 | C15 | 120.0° | 119.9° |
| C22 | N02 | HN02 | 105.4° | 120.0° |
| N02 | C22 | C23 | 109.1° | 109.4° |
| N02 | C22 | H22 | 109.6° | 109.5° |
| N02 | C22 | H22A | 109.6° | 109.5° |
| C12 | N03 | C17 | 125.4° | 120.0° |
| C12 | N03 | HN03 | 104.4° | 120.0° |
| N03 | C12 | C11 | 119.6° | 120.2° |
| N03 | C12 | C13 | 122.0° | 120.2° |
| C17 | N03 | HN03 | 104.5° | 120.0° |
| N03 | C17 | C18 | 109.8° | 109.5° |
| N03 | C17 | H17 | 109.4° | 109.5° |
| N03 | C17 | H17A | 109.3° | 109.5° |
| C19 | N04 | C20 | 116.1° | 120.7° |
| N04 | C19 | C18 | 123.8° | 119.2° |
| N04 | C19 | H19 | 118.1° | 120.4° |
| N04 | C20 | N05 | 125.3° | 121.6° |
| N04 | C20 | N06 | 117.2° | 119.2° |
| C20 | N05 | C21 | 116.0° | 120.7° |
| N05 | C20 | N06 | 117.5° | 119.2° |
| N05 | C21 | C18 | 123.9° | 119.2° |
| N05 | C21 | H21 | 118.0° | 120.4° |
| C20 | N06 | HN06 | 109.5° | 120.0° |
| C20 | N06 | HN0B | 109.4° | 120.0° |
| HN06 | N06 | HN0B | 109.5° | 120.0° |
| C23 | N07 | C24 | 124.9° | 111.0° |
| C23 | N07 | C27 | 125.2° | 111.0° |
| N07 | C23 | C22 | 110.2° | 109.4° |
| N07 | C23 | H23 | 109.2° | 109.5° |
| N07 | C23 | H23A | 109.2° | 109.5° |
| C24 | N07 | C27 | 109.9° | 110.9° |
| N07 | C24 | C25 | 110.8° | 109.4° |
| N07 | C24 | H24 | 109.0° | 109.5° |
| N07 | C24 | H24A | 109.0° | 109.5° |
| N07 | C27 | C26 | 110.3° | 109.3° |
| N07 | C27 | H27 | 109.2° | 109.5° |
| N07 | C27 | H27A | 109.2° | 109.5° |
| C25 | N08 | C26 | 109.3° | 110.9° |
| C25 | N08 | HN08 | 109.5° | 111.0° |
| N08 | C25 | C24 | 109.7° | 109.4° |
| N08 | C25 | H25 | 109.4° | 109.5° |
| N08 | C25 | H25A | 109.4° | 109.5° |
| C26 | N08 | HN08 | 109.5° | 111.0° |
| N08 | C26 | C27 | 109.2° | 109.4° |
| N08 | C26 | H26 | 109.6° | 109.5° |
| N08 | C26 | H26A | 109.6° | 109.5° |
| C15 | N09 | O29 | 120.8° | 120.0° |
| C15 | N09 | O30 | 121.1° | 120.0° |
| N09 | C15 | C10 | 119.8° | 119.8° |
| N09 | C15 | C14 | 121.3° | 119.8° |
| O29 | N09 | O30 | 118.1° | 120.0° |
| C11 | C10 | C15 | 121.9° | 120.1° |
| C11 | C10 | H10 | 119.1° | 120.0° |
| C10 | C11 | C12 | 119.4° | 119.7° |
| C10 | C11 | C16 | 118.8° | 120.1° |
| C15 | C10 | H10 | 119.1° | 119.9° |
| C10 | C15 | C14 | 119.0° | 120.4° |
| C12 | C11 | C16 | 121.8° | 120.2° |
| C11 | C12 | C13 | 118.4° | 119.7° |
| C11 | C16 | O28 | 121.0° | 120.0° |
| C12 | C13 | C14 | 121.7° | 119.9° |
| C12 | C13 | H13 | 119.1° | 120.1° |
| C14 | C13 | H13 | 119.1° | 120.0° |
| C13 | C14 | C15 | 119.6° | 120.2° |
| C18 | C17 | H17 | 109.3° | 109.5° |
| C18 | C17 | H17A | 109.3° | 109.5° |
| C17 | C18 | C19 | 122.3° | 120.7° |
| C17 | C18 | C21 | 122.8° | 120.7° |
| H17 | C17 | H17A | 109.6° | 109.5° |
| C19 | C18 | C21 | 115.0° | 118.6° |
| C18 | C19 | H19 | 118.1° | 120.4° |
| C18 | C21 | H21 | 118.0° | 120.4° |
| C23 | C22 | H22 | 109.6° | 109.5° |
| C23 | C22 | H22A | 109.6° | 109.4° |
| C22 | C23 | H23 | 109.2° | 109.4° |
| C22 | C23 | H23A | 109.2° | 109.5° |
| H22 | C22 | H22A | 109.4° | 109.5° |
| H23 | C23 | H23A | 109.7° | 109.5° |
| C25 | C24 | H24 | 109.0° | 109.5° |
| C25 | C24 | H24A | 109.0° | 109.5° |
| C24 | C25 | H25 | 109.4° | 109.5° |
| C24 | C25 | H25A | 109.4° | 109.5° |
| H24 | C24 | H24A | 109.9° | 109.4° |
| H25 | C25 | H25A | 109.6° | 109.5° |
| C27 | C26 | H26 | 109.6° | 109.5° |
| C27 | C26 | H26A | 109.5° | 109.5° |
| C26 | C27 | H27 | 109.2° | 109.5° |
| C26 | C27 | H27A | 109.2° | 109.5° |
| H26 | C26 | H26A | 109.4° | 109.5° |
| H27 | C27 | H27A | 109.7° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N01 | HN01 | HN0A | 180.0° | 179.7° |
| N01 | C16 | C11 | C10 | 26.2° | 5.8° |
| N01 | C16 | C11 | C12 | 153.9° | 174.2° |
| N01 | C16 | C11 | O28 | 179.3° | 179.9° |
| HN01 | N01 | C16 | C11 | 179.4° | 0.0° |
| HN01 | N01 | C16 | O28 | 0.0° | 180.0° |
| HN0A | N01 | C16 | C11 | 0.7° | 179.7° |
| HN0A | N01 | C16 | O28 | 180.0° | 0.3° |
| C14 | N02 | C22 | HN02 | 120.0° | 180.0° |
| N02 | C14 | C15 | N09 | 0.5° | 0.1° |
| N02 | C14 | C15 | C10 | 179.3° | 180.0° |
| N02 | C14 | C13 | C12 | 179.5° | 180.0° |
| N02 | C14 | C13 | C15 | 179.7° | 179.9° |
| N02 | C14 | C13 | H13 | 0.5° | 0.1° |
| C14 | N02 | C22 | C23 | 159.9° | 180.0° |
| C14 | N02 | C22 | H22 | 80.2° | 60.0° |
| C14 | N02 | C22 | H22A | 39.9° | 60.0° |
| N02 | C22 | C23 | N07 | 145.2° | 180.0° |
| C22 | N02 | C14 | C13 | 54.0° | 4.5° |
| C22 | N02 | C14 | C15 | 126.3° | 175.5° |
| N02 | C22 | C23 | H22 | 120.0° | 120.0° |
| N02 | C22 | C23 | H22A | 120.0° | 120.0° |
| N02 | C22 | H22 | H22A | 120.1° | 120.1° |
| N02 | C22 | C23 | H23 | 94.8° | 60.0° |
| N02 | C22 | C23 | H23A | 25.3° | 60.0° |
| HN02 | N02 | C14 | C13 | 174.0° | 175.4° |
| HN02 | N02 | C14 | C15 | 6.3° | 4.5° |
| HN02 | N02 | C22 | C23 | 39.9° | 0.0° |
| HN02 | N02 | C22 | H22 | 159.8° | 120.0° |
| HN02 | N02 | C22 | H22A | 80.1° | 119.9° |
| C12 | N03 | C17 | HN03 | 120.0° | 180.0° |
| N03 | C12 | C11 | C10 | 179.9° | 180.0° |
| N03 | C12 | C11 | C13 | 179.7° | 180.0° |
| N03 | C12 | C11 | C16 | 0.2° | 0.0° |
| N03 | C12 | C13 | C14 | 179.9° | 179.9° |
| N03 | C12 | C13 | H13 | 0.1° | 0.0° |
| C12 | N03 | C17 | C18 | 86.0° | 180.0° |
| C12 | N03 | C17 | H17 | 154.0° | 60.0° |
| C12 | N03 | C17 | H17A | 34.0° | 60.0° |
| C17 | N03 | C12 | C11 | 159.4° | 174.1° |
| C17 | N03 | C12 | C13 | 20.9° | 5.9° |
| N03 | C17 | C18 | H17 | 120.0° | 120.0° |
| N03 | C17 | C18 | H17A | 120.0° | 120.0° |
| N03 | C17 | H17 | H17A | 119.9° | 120.0° |
| N03 | C17 | C18 | C19 | 124.7° | 89.9° |
| N03 | C17 | C18 | C21 | 54.4° | 89.9° |
| HN03 | N03 | C12 | C11 | 80.6° | 5.9° |
| HN03 | N03 | C12 | C13 | 99.1° | 174.2° |
| HN03 | N03 | C17 | C18 | 33.9° | 0.0° |
| HN03 | N03 | C17 | H17 | 86.1° | 120.0° |
| HN03 | N03 | C17 | H17A | 153.9° | 120.0° |
| C19 | N04 | C20 | N05 | 0.3° | 0.0° |
| C19 | N04 | C20 | N06 | 179.9° | 179.9° |
| N04 | C19 | C18 | C17 | 179.3° | 180.0° |
| N04 | C19 | C18 | H19 | 180.0° | 179.9° |
| N04 | C19 | C18 | C21 | 0.1° | 0.1° |
| N04 | C20 | N05 | N06 | 179.9° | 180.0° |
| N04 | C20 | N05 | C21 | 0.2° | 0.1° |
| N04 | C20 | N06 | HN06 | 0.0° | 0.1° |
| N04 | C20 | N06 | HN0B | 120.0° | 180.0° |
| C20 | N04 | C19 | C18 | 0.2° | 0.1° |
| C20 | N04 | C19 | H19 | 179.8° | 180.0° |
| N05 | C20 | N06 | HN06 | 179.9° | 179.9° |
| N05 | C20 | N06 | HN0B | 60.1° | 0.0° |
| C20 | N05 | C21 | C18 | 0.2° | 0.1° |
| C20 | N05 | C21 | H21 | 179.8° | 180.0° |
| C21 | N05 | C20 | N06 | 179.9° | 179.9° |
| N05 | C21 | C18 | C17 | 179.3° | 180.0° |
| N05 | C21 | C18 | C19 | 0.1° | 0.1° |
| N05 | C21 | C18 | H21 | 180.0° | 179.9° |
| C20 | N06 | HN06 | HN0B | 120.0° | 179.9° |
| C23 | N07 | C24 | C27 | 179.4° | 123.8° |
| N07 | C23 | C22 | H23 | 120.0° | 120.0° |
| N07 | C23 | C22 | H23A | 120.0° | 120.0° |
| N07 | C23 | C22 | H22 | 94.8° | 60.0° |
| N07 | C23 | C22 | H22A | 25.3° | 60.0° |
| N07 | C23 | H23 | H23A | 119.7° | 120.0° |
| C23 | N07 | C24 | C25 | 124.9° | 176.8° |
| C23 | N07 | C24 | H24 | 4.8° | 63.2° |
| C23 | N07 | C24 | H24A | 115.2° | 56.8° |
| C23 | N07 | C27 | C26 | 123.4° | 176.8° |
| C23 | N07 | C27 | H27 | 116.6° | 56.9° |
| C23 | N07 | C27 | H27A | 3.4° | 63.2° |
| N07 | C24 | C25 | N08 | 57.6° | 58.4° |
| C24 | N07 | C23 | C22 | 100.7° | 170.0° |
| C24 | N07 | C23 | H23 | 19.3° | 70.0° |
| C24 | N07 | C23 | H23A | 139.3° | 50.0° |
| N07 | C24 | C25 | H24 | 120.0° | 120.0° |
| N07 | C24 | C25 | H24A | 120.0° | 120.0° |
| N07 | C24 | H24 | H24A | 119.5° | 120.1° |
| N07 | C24 | C25 | H25 | 177.6° | 61.6° |
| N07 | C24 | C25 | H25A | 62.4° | 178.4° |
| C24 | N07 | C27 | C26 | 57.2° | 59.3° |
| C24 | N07 | C27 | H27 | 62.8° | 179.2° |
| C24 | N07 | C27 | H27A | 177.2° | 60.6° |
| N07 | C27 | C26 | N08 | 60.6° | 58.4° |
| C27 | N07 | C23 | C22 | 78.7° | 46.2° |
| C27 | N07 | C23 | H23 | 161.3° | 166.2° |
| C27 | N07 | C23 | H23A | 41.3° | 73.8° |
| C27 | N07 | C24 | C25 | 55.7° | 59.3° |
| C27 | N07 | C24 | H24 | 175.7° | 60.6° |
| C27 | N07 | C24 | H24A | 64.3° | 179.3° |
| N07 | C27 | C26 | H27 | 120.0° | 119.9° |
| N07 | C27 | C26 | H27A | 120.0° | 120.0° |
| N07 | C27 | C26 | H26 | 59.4° | 178.3° |
| N07 | C27 | C26 | H26A | 179.4° | 61.5° |
| N07 | C27 | H27 | H27A | 119.7° | 120.1° |
| C25 | N08 | C26 | HN08 | 120.0° | 123.8° |
| N08 | C25 | C24 | H25 | 120.0° | 120.0° |
| N08 | C25 | C24 | H25A | 120.0° | 120.0° |
| N08 | C25 | C24 | H24 | 177.6° | 61.6° |
| N08 | C25 | C24 | H24A | 62.4° | 178.4° |
| N08 | C25 | H25 | H25A | 119.9° | 120.1° |
| C25 | N08 | C26 | C27 | 62.1° | 59.3° |
| C25 | N08 | C26 | H26 | 57.9° | 179.3° |
| C25 | N08 | C26 | H26A | 177.9° | 60.7° |
| C26 | N08 | C25 | C24 | 60.6° | 59.3° |
| C26 | N08 | C25 | H25 | 179.4° | 60.6° |
| C26 | N08 | C25 | H25A | 59.4° | 179.3° |
| N08 | C26 | C27 | H26 | 120.0° | 119.9° |
| N08 | C26 | C27 | H26A | 120.0° | 119.9° |
| N08 | C26 | H26 | H26A | 120.2° | 120.0° |
| N08 | C26 | C27 | H27 | 59.4° | 178.3° |
| N08 | C26 | C27 | H27A | 179.4° | 61.6° |
| HN08 | N08 | C25 | C24 | 179.4° | 64.5° |
| HN08 | N08 | C25 | H25 | 59.4° | 175.5° |
| HN08 | N08 | C25 | H25A | 60.6° | 55.4° |
| HN08 | N08 | C26 | C27 | 177.9° | 64.5° |
| HN08 | N08 | C26 | H26 | 62.1° | 55.4° |
| HN08 | N08 | C26 | H26A | 57.9° | 175.5° |
| C15 | N09 | O29 | O30 | 178.7° | 180.0° |
| N09 | C15 | C10 | C11 | 179.9° | 180.0° |
| N09 | C15 | C10 | C14 | 179.8° | 179.9° |
| N09 | C15 | C10 | H10 | 0.1° | 0.3° |
| N09 | C15 | C14 | C13 | 179.7° | 180.0° |
| O29 | N09 | C15 | C10 | 25.2° | 37.9° |
| O29 | N09 | C15 | C14 | 154.6° | 142.0° |
| O30 | N09 | C15 | C10 | 153.5° | 142.1° |
| O30 | N09 | C15 | C14 | 26.7° | 38.0° |
| C11 | C10 | C15 | H10 | 180.0° | 179.7° |
| C10 | C11 | C12 | C16 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.0° |
| C11 | C10 | C15 | C14 | 0.3° | 0.1° |
| C10 | C11 | C16 | O28 | 153.2° | 174.3° |
| C15 | C10 | C11 | C12 | 0.1° | 0.0° |
| C15 | C10 | C11 | C16 | 179.8° | 180.0° |
| C10 | C15 | C14 | C13 | 0.4° | 0.1° |
| H10 | C10 | C11 | C12 | 179.9° | 179.8° |
| H10 | C10 | C11 | C16 | 0.2° | 0.3° |
| H10 | C10 | C15 | C14 | 179.7° | 179.8° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H13 | 179.8° | 180.0° |
| C12 | C11 | C16 | O28 | 26.8° | 5.7° |
| C16 | C11 | C12 | C13 | 179.6° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| H13 | C13 | C14 | C15 | 179.8° | 180.0° |
| C18 | C17 | H17 | H17A | 119.8° | 120.0° |
| C17 | C18 | C19 | C21 | 179.2° | 179.9° |
| C17 | C18 | C19 | H19 | 0.7° | 0.1° |
| C17 | C18 | C21 | H21 | 0.7° | 0.1° |
| H17 | C17 | C18 | C19 | 115.3° | 30.0° |
| H17 | C17 | C18 | C21 | 65.6° | 150.1° |
| H17A | C17 | C18 | C19 | 4.7° | 150.1° |
| H17A | C17 | C18 | C21 | 174.4° | 30.1° |
| C19 | C18 | C21 | H21 | 179.9° | 180.0° |
| C21 | C18 | C19 | H19 | 179.9° | 180.0° |
| C23 | C22 | H22 | H22A | 120.2° | 120.0° |
| C22 | C23 | H23 | H23A | 119.7° | 120.0° |
| H22 | C22 | C23 | H23 | 25.2° | 60.0° |
| H22 | C22 | C23 | H23A | 145.2° | 180.0° |
| H22A | C22 | C23 | H23 | 145.2° | 180.0° |
| H22A | C22 | C23 | H23A | 94.7° | 60.0° |
| C25 | C24 | H24 | H24A | 119.4° | 120.0° |
| C24 | C25 | H25 | H25A | 119.9° | 120.0° |
| H24 | C24 | C25 | H25 | 62.4° | 178.4° |
| H24 | C24 | C25 | H25A | 57.6° | 58.4° |
| H24A | C24 | C25 | H25 | 57.6° | 58.5° |
| H24A | C24 | C25 | H25A | 177.6° | 61.6° |
| C27 | C26 | H26 | H26A | 120.1° | 120.1° |
| C26 | C27 | H27 | H27A | 119.7° | 120.1° |
| H26 | C26 | C27 | H27 | 179.4° | 61.7° |
| H26 | C26 | C27 | H27A | 60.6° | 58.4° |
| H26A | C26 | C27 | H27 | 60.6° | 58.4° |
| H26A | C26 | C27 | H27A | 59.4° | 178.5° |
