26Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | N01 | sing | 1.31Å | 1.40Å | Aromatic |
| N01 | C08 | doub | 1.30Å | 1.31Å | Aromatic |
| C08 | N02 | sing | 1.38Å | 1.32Å | |
| N02 | C09 | sing | 1.40Å | 1.31Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| N03 | C07 | sing | 1.39Å | 1.27Å | |
| N03 | HN03 | sing | 0.97Å | 1.00Å | |
| N03 | HN0A | sing | 0.97Å | 1.00Å | |
| C15 | N04 | sing | 1.40Å | 1.29Å | |
| N04 | HN04 | sing | 0.97Å | 1.00Å | |
| N04 | HN0B | sing | 0.97Å | 1.00Å | |
| S26 | N05 | sing | 1.66Å | 1.69Å | |
| N05 | HN05 | sing | 0.97Å | 1.00Å | |
| N05 | HN0C | sing | 0.97Å | 1.00Å | |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C06 | sing | 1.41Å | 1.41Å | |
| C06 | S25 | sing | 1.76Å | 1.74Å | Aromatic |
| C08 | S25 | sing | 1.71Å | 1.72Å | Aromatic |
| C09 | C21 | doub | 1.39Å | 1.43Å | Aromatic |
| C09 | C17 | sing | 1.39Å | 1.43Å | Aromatic |
| O22 | C10 | doub | 1.22Å | 1.23Å | |
| C10 | C11 | sing | 1.48Å | 1.41Å | |
| C11 | C12 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | C15 | doub | 1.39Å | 1.44Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | S26 | sing | 1.76Å | 1.76Å | |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| O23 | S26 | doub | 1.42Å | 1.45Å | |
| S26 | O24 | doub | 1.42Å | 1.46Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | N01 | C08 | 110.5° | 117.3° |
| N01 | C07 | N03 | 121.4° | 123.2° |
| N01 | C07 | C06 | 116.0° | 113.6° |
| N01 | C08 | N02 | 120.1° | 124.6° |
| N01 | C08 | S25 | 114.6° | 110.8° |
| C08 | N02 | C09 | 129.6° | 120.0° |
| C08 | N02 | HN02 | 115.2° | 120.0° |
| N02 | C08 | S25 | 125.3° | 124.6° |
| C09 | N02 | HN02 | 115.2° | 120.0° |
| N02 | C09 | C21 | 117.1° | 120.1° |
| N02 | C09 | C17 | 124.2° | 120.1° |
| C07 | N03 | HN03 | 109.5° | 120.0° |
| C07 | N03 | HN0A | 109.5° | 120.0° |
| N03 | C07 | C06 | 122.6° | 123.2° |
| HN03 | N03 | HN0A | 109.4° | 120.0° |
| C15 | N04 | HN04 | 109.5° | 120.0° |
| C15 | N04 | HN0B | 109.5° | 120.0° |
| N04 | C15 | C14 | 119.5° | 120.0° |
| N04 | C15 | C16 | 120.7° | 120.0° |
| HN04 | N04 | HN0B | 109.4° | 120.0° |
| S26 | N05 | HN05 | 109.5° | 120.0° |
| S26 | N05 | HN0C | 109.5° | 120.1° |
| N05 | S26 | C19 | 109.7° | 107.2° |
| N05 | S26 | O23 | 109.4° | 106.4° |
| N05 | S26 | O24 | 111.1° | 106.4° |
| HN05 | N05 | HN0C | 109.4° | 119.9° |
| C07 | C06 | C10 | 125.8° | 126.1° |
| C07 | C06 | S25 | 107.5° | 107.7° |
| C10 | C06 | S25 | 126.6° | 126.2° |
| C06 | C10 | O22 | 119.1° | 120.0° |
| C06 | C10 | C11 | 122.3° | 120.0° |
| C06 | S25 | C08 | 91.3° | 90.6° |
| C21 | C09 | C17 | 118.7° | 119.8° |
| C09 | C21 | C20 | 120.9° | 120.0° |
| C09 | C21 | H21 | 119.6° | 120.1° |
| C09 | C17 | C18 | 120.2° | 120.0° |
| C09 | C17 | H17 | 119.9° | 120.0° |
| O22 | C10 | C11 | 118.6° | 120.0° |
| C10 | C11 | C12 | 119.4° | 120.1° |
| C10 | C11 | C16 | 122.1° | 120.2° |
| C12 | C11 | C16 | 118.6° | 119.8° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| C11 | C12 | H12 | 119.7° | 120.0° |
| C11 | C16 | C15 | 120.5° | 119.8° |
| C11 | C16 | H16 | 119.8° | 120.1° |
| C13 | C12 | H12 | 119.7° | 120.0° |
| C12 | C13 | C14 | 120.7° | 120.2° |
| C12 | C13 | H13 | 119.6° | 119.9° |
| C14 | C13 | H13 | 119.7° | 119.9° |
| C13 | C14 | C15 | 119.9° | 120.2° |
| C13 | C14 | H14 | 120.0° | 119.9° |
| C15 | C14 | H14 | 120.0° | 119.9° |
| C14 | C15 | C16 | 119.8° | 120.0° |
| C15 | C16 | H16 | 119.8° | 120.1° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C17 | C18 | C19 | 119.7° | 120.0° |
| C17 | C18 | H18 | 120.2° | 120.0° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.6° | 120.1° |
| C18 | C19 | S26 | 119.7° | 119.9° |
| C20 | C19 | S26 | 119.6° | 120.0° |
| C19 | C20 | C21 | 119.8° | 120.1° |
| C19 | C20 | H20 | 120.1° | 119.9° |
| C19 | S26 | O23 | 106.3° | 106.4° |
| C19 | S26 | O24 | 110.4° | 106.4° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C20 | C21 | H21 | 119.5° | 120.0° |
| O23 | S26 | O24 | 109.9° | 123.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | N01 | C08 | N02 | 179.3° | 180.0° |
| N01 | C07 | N03 | C06 | 180.0° | 180.0° |
| N01 | C07 | N03 | HN03 | 0.0° | 0.0° |
| N01 | C07 | N03 | HN0A | 120.0° | 179.9° |
| N01 | C07 | C06 | C10 | 180.0° | 180.0° |
| N01 | C07 | C06 | S25 | 0.1° | 0.0° |
| C07 | N01 | C08 | S25 | 0.0° | 0.0° |
| N01 | C08 | N02 | S25 | 179.2° | 180.0° |
| N01 | C08 | N02 | C09 | 152.2° | 6.7° |
| N01 | C08 | N02 | HN02 | 27.8° | 173.4° |
| C08 | N01 | C07 | N03 | 180.0° | 180.0° |
| C08 | N01 | C07 | C06 | 0.0° | 0.0° |
| N01 | C08 | S25 | C06 | 0.1° | 0.0° |
| C08 | N02 | C09 | HN02 | 180.0° | 179.9° |
| N02 | C08 | S25 | C06 | 179.3° | 180.0° |
| C08 | N02 | C09 | C21 | 179.3° | 153.2° |
| C08 | N02 | C09 | C17 | 1.1° | 27.0° |
| C09 | N02 | C08 | S25 | 28.5° | 173.3° |
| N02 | C09 | C21 | C17 | 179.6° | 179.8° |
| N02 | C09 | C17 | C18 | 179.4° | 179.9° |
| N02 | C09 | C17 | H17 | 0.5° | 0.0° |
| N02 | C09 | C21 | C20 | 179.5° | 179.7° |
| N02 | C09 | C21 | H21 | 0.5° | 0.1° |
| HN02 | N02 | C08 | S25 | 151.5° | 6.6° |
| HN02 | N02 | C09 | C21 | 0.7° | 26.9° |
| HN02 | N02 | C09 | C17 | 178.9° | 152.9° |
| C07 | N03 | HN03 | HN0A | 120.0° | 179.9° |
| N03 | C07 | C06 | C10 | 0.1° | 0.0° |
| N03 | C07 | C06 | S25 | 179.9° | 180.0° |
| HN03 | N03 | C07 | C06 | 180.0° | 180.0° |
| HN0A | N03 | C07 | C06 | 60.0° | 0.1° |
| C15 | N04 | HN04 | HN0B | 120.0° | 180.0° |
| N04 | C15 | C16 | C11 | 179.6° | 179.7° |
| N04 | C15 | C14 | C13 | 179.9° | 180.0° |
| N04 | C15 | C14 | C16 | 179.7° | 179.7° |
| N04 | C15 | C14 | H14 | 0.1° | 0.0° |
| N04 | C15 | C16 | H16 | 0.4° | 0.0° |
| HN04 | N04 | C15 | C14 | 180.0° | 0.0° |
| HN04 | N04 | C15 | C16 | 0.3° | 179.8° |
| HN0B | N04 | C15 | C14 | 60.0° | 180.0° |
| HN0B | N04 | C15 | C16 | 120.3° | 0.3° |
| S26 | N05 | HN05 | HN0C | 120.0° | 180.0° |
| N05 | S26 | C19 | C18 | 32.5° | 90.0° |
| N05 | S26 | C19 | C20 | 148.2° | 90.0° |
| N05 | S26 | C19 | O23 | 118.2° | 113.5° |
| N05 | S26 | C19 | O24 | 122.7° | 113.5° |
| N05 | S26 | O23 | O24 | 122.2° | 122.9° |
| HN05 | N05 | S26 | C19 | 180.0° | 0.0° |
| HN05 | N05 | S26 | O23 | 63.8° | 113.6° |
| HN05 | N05 | S26 | O24 | 57.7° | 113.5° |
| HN0C | N05 | S26 | C19 | 60.0° | 180.0° |
| HN0C | N05 | S26 | O23 | 56.2° | 66.4° |
| HN0C | N05 | S26 | O24 | 177.7° | 66.5° |
| C07 | C06 | C10 | S25 | 180.0° | 180.0° |
| C07 | C06 | S25 | C08 | 0.1° | 0.0° |
| C07 | C06 | C10 | O22 | 7.2° | 6.7° |
| C07 | C06 | C10 | C11 | 173.4° | 173.3° |
| C10 | C06 | S25 | C08 | 180.0° | 180.0° |
| C06 | C10 | O22 | C11 | 179.4° | 180.0° |
| C06 | C10 | C11 | C12 | 135.8° | 153.1° |
| C06 | C10 | C11 | C16 | 43.9° | 26.6° |
| S25 | C06 | C10 | O22 | 172.7° | 173.4° |
| S25 | C06 | C10 | C11 | 6.6° | 6.7° |
| C21 | C09 | C17 | C18 | 0.2° | 0.3° |
| C21 | C09 | C17 | H17 | 179.9° | 179.8° |
| C09 | C21 | C20 | C19 | 0.1° | 0.6° |
| C09 | C21 | C20 | H21 | 180.0° | 179.7° |
| C09 | C21 | C20 | H20 | 179.9° | 179.7° |
| C09 | C17 | C18 | H17 | 180.0° | 180.0° |
| C09 | C17 | C18 | C19 | 0.0° | 0.0° |
| C09 | C17 | C18 | H18 | 180.0° | 179.9° |
| C17 | C09 | C21 | C20 | 0.1° | 0.6° |
| C17 | C09 | C21 | H21 | 179.9° | 179.7° |
| O22 | C10 | C11 | C12 | 43.5° | 26.9° |
| O22 | C10 | C11 | C16 | 136.7° | 153.4° |
| C10 | C11 | C12 | C16 | 179.8° | 179.7° |
| C10 | C11 | C12 | C13 | 179.6° | 180.0° |
| C10 | C11 | C12 | H12 | 0.4° | 0.1° |
| C10 | C11 | C16 | C15 | 179.5° | 179.7° |
| C10 | C11 | C16 | H16 | 0.5° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C11 | C16 | C15 | 0.2° | 0.6° |
| C12 | C11 | C16 | H16 | 179.8° | 179.7° |
| C16 | C11 | C12 | C13 | 0.2° | 0.4° |
| C16 | C11 | C12 | H12 | 179.8° | 179.7° |
| C11 | C16 | C15 | C14 | 0.1° | 0.6° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| H12 | C12 | C13 | C14 | 179.9° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.3° |
| H13 | C13 | C14 | C15 | 179.8° | 180.0° |
| H13 | C13 | C14 | H14 | 0.2° | 0.0° |
| C14 | C15 | C16 | H16 | 179.9° | 179.7° |
| H14 | C14 | C15 | C16 | 179.9° | 179.8° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C17 | C18 | C19 | S26 | 179.0° | 180.0° |
| H17 | C17 | C18 | C19 | 180.0° | 180.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.1° |
| C18 | C19 | C20 | S26 | 179.2° | 179.9° |
| C18 | C19 | C20 | C21 | 0.2° | 0.3° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| C18 | C19 | S26 | O23 | 85.6° | 23.5° |
| C18 | C19 | S26 | O24 | 155.3° | 156.5° |
| H18 | C18 | C19 | C20 | 179.8° | 180.0° |
| H18 | C18 | C19 | S26 | 1.0° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.7° |
| C19 | C20 | C21 | H21 | 179.9° | 179.7° |
| C20 | C19 | S26 | O23 | 93.6° | 156.4° |
| C20 | C19 | S26 | O24 | 25.5° | 23.5° |
| S26 | C19 | C20 | C21 | 179.0° | 179.8° |
| S26 | C19 | C20 | H20 | 1.0° | 0.1° |
| C19 | S26 | O23 | O24 | 119.5° | 123.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
