884
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N26 | C25 | sing | 1.38Å | 1.34Å | |
| N27 | C25 | doub | 1.30Å | 1.33Å | |
| C25 | C19 | sing | 1.48Å | 1.40Å | |
| C19 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.48Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.34Å | Aromatic |
| C11 | N10 | sing | 1.38Å | 1.34Å | Aromatic |
| C12 | C13 | sing | 1.42Å | 1.34Å | Aromatic |
| N10 | C9 | sing | 1.38Å | 1.32Å | Aromatic |
| C13 | C9 | doub | 1.41Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C4 | sing | 1.48Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C22 | sing | 1.48Å | 1.40Å | |
| C22 | N23 | sing | 1.38Å | 1.34Å | |
| C22 | N24 | doub | 1.30Å | 1.34Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| N23 | HN2A | sing | 0.97Å | 1.00Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| N26 | HN26 | sing | 0.97Å | 1.00Å | |
| N26 | HN2B | sing | 0.97Å | 1.00Å | |
| N27 | HN27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N26 | C25 | N27 | 119.4° | 120.0° |
| N26 | C25 | C19 | 120.4° | 120.0° |
| C25 | N26 | HN26 | 120.0° | 120.0° |
| C25 | N26 | HN2B | 120.0° | 120.0° |
| N27 | C25 | C19 | 120.1° | 120.0° |
| C25 | N27 | HN27 | 112.0° | 120.0° |
| C25 | C19 | C20 | 121.5° | 120.0° |
| C25 | C19 | C18 | 118.8° | 120.0° |
| C20 | C19 | C18 | 119.7° | 120.0° |
| C19 | C20 | C21 | 120.1° | 120.0° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| C19 | C18 | C17 | 120.1° | 120.0° |
| C19 | C18 | H18 | 119.9° | 120.0° |
| C20 | C21 | C16 | 119.3° | 119.9° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C20 | C21 | H21 | 120.4° | 120.0° |
| C18 | C17 | C16 | 121.2° | 120.0° |
| C18 | C17 | H17 | 119.4° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C17 | C16 | C21 | 119.7° | 120.0° |
| C17 | C16 | C11 | 117.9° | 120.0° |
| C16 | C17 | H17 | 119.4° | 120.1° |
| C21 | C16 | C11 | 122.4° | 120.0° |
| C16 | C21 | H21 | 120.4° | 120.0° |
| C16 | C11 | C12 | 128.1° | 125.3° |
| C16 | C11 | N10 | 123.3° | 125.4° |
| C12 | C11 | N10 | 108.5° | 109.3° |
| C11 | C12 | C13 | 107.7° | 107.8° |
| C11 | C12 | H12 | 126.2° | 126.1° |
| C11 | N10 | C9 | 109.2° | 108.8° |
| C11 | N10 | HN10 | 125.4° | 125.6° |
| C12 | C13 | C9 | 107.4° | 106.8° |
| C12 | C13 | C14 | 133.2° | 133.2° |
| C13 | C12 | H12 | 126.1° | 126.1° |
| N10 | C9 | C13 | 107.1° | 107.3° |
| N10 | C9 | C8 | 131.9° | 133.1° |
| C9 | N10 | HN10 | 125.4° | 125.6° |
| C9 | C13 | C14 | 119.3° | 120.0° |
| C13 | C9 | C8 | 121.0° | 119.6° |
| C13 | C14 | C15 | 119.8° | 120.0° |
| C13 | C14 | H14 | 120.1° | 120.1° |
| C9 | C8 | C7 | 120.3° | 119.7° |
| C9 | C8 | H8 | 119.8° | 120.1° |
| C14 | C15 | C7 | 120.7° | 120.4° |
| C15 | C14 | H14 | 120.1° | 119.9° |
| C14 | C15 | H15 | 119.7° | 119.8° |
| C8 | C7 | C15 | 118.9° | 120.4° |
| C8 | C7 | C4 | 120.3° | 119.8° |
| C7 | C8 | H8 | 119.8° | 120.2° |
| C15 | C7 | C4 | 120.7° | 119.8° |
| C7 | C15 | H15 | 119.7° | 119.8° |
| C7 | C4 | C3 | 119.5° | 120.0° |
| C7 | C4 | C5 | 121.2° | 120.0° |
| C3 | C4 | C5 | 119.1° | 120.0° |
| C4 | C3 | C2 | 120.9° | 120.0° |
| C4 | C3 | H3 | 119.5° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C3 | C2 | C1 | 119.9° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | 119.5° | 120.0° |
| C5 | C6 | C1 | 120.6° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 119.7° | 120.0° |
| C2 | C1 | C6 | 119.4° | 120.0° |
| C2 | C1 | C22 | 120.1° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C6 | C1 | C22 | 120.4° | 120.0° |
| C1 | C6 | H6 | 119.7° | 120.0° |
| C1 | C22 | N23 | 120.8° | 120.0° |
| C1 | C22 | N24 | 120.0° | 120.0° |
| N23 | C22 | N24 | 119.0° | 120.0° |
| C22 | N23 | HN23 | 120.0° | 120.0° |
| C22 | N23 | HN2A | 120.0° | 120.0° |
| C22 | N24 | HN24 | 112.0° | 120.0° |
| HN23 | N23 | HN2A | 120.0° | 120.0° |
| HN26 | N26 | HN2B | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N26 | C25 | N27 | C19 | 177.2° | 180.0° |
| N26 | C25 | C19 | C20 | 149.3° | 180.0° |
| N26 | C25 | C19 | C18 | 31.1° | 0.3° |
| C25 | N26 | HN26 | HN2B | 180.0° | 180.0° |
| N26 | C25 | N27 | HN27 | 177.2° | 180.0° |
| N27 | C25 | C19 | C20 | 33.6° | 0.0° |
| N27 | C25 | C19 | C18 | 146.0° | 179.7° |
| N27 | C25 | N26 | HN26 | 177.1° | 180.0° |
| N27 | C25 | N26 | HN2B | 2.9° | 0.0° |
| C25 | C19 | C20 | C18 | 179.7° | 179.7° |
| C25 | C19 | C20 | C21 | 179.7° | 180.0° |
| C25 | C19 | C18 | C17 | 180.0° | 179.7° |
| C25 | C19 | C18 | H18 | 0.0° | 0.3° |
| C25 | C19 | C20 | H20 | 0.2° | 0.3° |
| C19 | C25 | N26 | HN26 | 0.0° | 0.0° |
| C19 | C25 | N26 | HN2B | 180.0° | 180.0° |
| C19 | C25 | N27 | HN27 | 0.0° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 0.3° | 0.0° |
| C19 | C20 | C21 | C16 | 0.8° | 0.6° |
| C20 | C19 | C18 | H18 | 179.7° | 180.0° |
| C19 | C20 | C21 | H21 | 179.2° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.3° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.4° | 0.0° |
| C19 | C18 | C17 | H17 | 179.6° | 179.9° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C20 | C21 | C16 | C17 | 1.4° | 0.6° |
| C20 | C21 | C16 | H21 | 180.0° | 179.4° |
| C20 | C21 | C16 | C11 | 179.2° | 179.7° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C18 | C17 | C16 | C21 | 1.2° | 0.3° |
| C18 | C17 | C16 | C11 | 179.1° | 180.0° |
| C17 | C16 | C21 | C11 | 177.8° | 179.7° |
| C17 | C16 | C11 | C12 | 165.0° | 0.0° |
| C17 | C16 | C11 | N10 | 15.3° | 180.0° |
| C16 | C17 | C18 | H18 | 179.6° | 180.0° |
| C17 | C16 | C21 | H21 | 178.6° | 180.0° |
| C21 | C16 | C11 | C12 | 17.2° | 179.7° |
| C21 | C16 | C11 | N10 | 162.5° | 0.3° |
| C21 | C16 | C17 | H17 | 178.8° | 179.8° |
| C16 | C21 | C20 | H20 | 179.3° | 179.7° |
| C16 | C11 | C12 | N10 | 179.8° | 180.0° |
| C16 | C11 | C12 | C13 | 179.7° | 180.0° |
| C16 | C11 | N10 | C9 | 179.9° | 180.0° |
| C16 | C11 | N10 | HN10 | 0.1° | 0.0° |
| C16 | C11 | C12 | H12 | 0.3° | 0.0° |
| C11 | C16 | C17 | H17 | 0.9° | 0.1° |
| C11 | C16 | C21 | H21 | 0.8° | 0.3° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C12 | C11 | N10 | C9 | 0.1° | 0.0° |
| C11 | C12 | C13 | C9 | 0.2° | 0.0° |
| C11 | C12 | C13 | C14 | 179.8° | 179.9° |
| C12 | C11 | N10 | HN10 | 179.9° | 180.0° |
| N10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | N10 | C9 | HN10 | 180.0° | 180.0° |
| C11 | N10 | C9 | C13 | 0.2° | 0.0° |
| C11 | N10 | C9 | C8 | 179.8° | 180.0° |
| N10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C12 | C13 | C9 | N10 | 0.3° | 0.0° |
| C12 | C13 | C9 | C14 | 179.6° | 180.0° |
| C12 | C13 | C9 | C8 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 180.0° | 179.7° |
| C12 | C13 | C14 | H14 | 0.0° | 0.1° |
| N10 | C9 | C13 | C8 | 179.7° | 180.0° |
| N10 | C9 | C13 | C14 | 179.9° | 180.0° |
| N10 | C9 | C8 | C7 | 179.3° | 180.0° |
| N10 | C9 | C8 | H8 | 0.7° | 0.0° |
| C9 | C13 | C14 | C15 | 0.5° | 0.3° |
| C13 | C9 | C8 | C7 | 1.1° | 0.0° |
| C13 | C9 | C8 | H8 | 178.9° | 180.0° |
| C13 | C9 | N10 | HN10 | 179.7° | 180.0° |
| C9 | C13 | C12 | H12 | 179.7° | 180.0° |
| C9 | C13 | C14 | H14 | 179.5° | 180.0° |
| C14 | C13 | C9 | C8 | 0.4° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.7° |
| C13 | C14 | C15 | C7 | 1.3° | 0.6° |
| C14 | C13 | C12 | H12 | 0.2° | 0.0° |
| C13 | C14 | C15 | H15 | 178.7° | 180.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C15 | 1.8° | 0.3° |
| C9 | C8 | C7 | C4 | 177.2° | 180.0° |
| C8 | C9 | N10 | HN10 | 0.2° | 0.0° |
| C14 | C15 | C7 | C8 | 1.9° | 0.6° |
| C14 | C15 | C7 | H15 | 180.0° | 179.5° |
| C14 | C15 | C7 | C4 | 177.3° | 179.7° |
| C8 | C7 | C15 | C4 | 175.4° | 179.7° |
| C8 | C7 | C4 | C3 | 18.0° | 180.0° |
| C8 | C7 | C4 | C5 | 167.3° | 0.0° |
| C8 | C7 | C15 | H15 | 178.1° | 179.9° |
| C15 | C7 | C4 | C3 | 157.3° | 0.3° |
| C15 | C7 | C4 | C5 | 17.4° | 179.7° |
| C15 | C7 | C8 | H8 | 178.1° | 179.8° |
| C7 | C15 | C14 | H14 | 178.7° | 179.8° |
| C7 | C4 | C3 | C5 | 174.8° | 180.0° |
| C7 | C4 | C3 | C2 | 177.8° | 180.0° |
| C7 | C4 | C5 | C6 | 177.1° | 179.7° |
| C7 | C4 | C3 | H3 | 2.2° | 0.0° |
| C7 | C4 | C5 | H5 | 2.9° | 0.0° |
| C4 | C7 | C8 | H8 | 2.8° | 0.0° |
| C4 | C7 | C15 | H15 | 2.7° | 0.2° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 2.4° | 0.3° |
| C4 | C3 | C2 | C1 | 1.7° | 0.0° |
| C4 | C3 | C2 | H2 | 178.3° | 180.0° |
| C3 | C4 | C5 | H5 | 177.6° | 180.0° |
| C5 | C4 | C3 | C2 | 2.9° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 0.7° | 0.6° |
| C5 | C4 | C3 | H3 | 177.1° | 180.0° |
| C4 | C5 | C6 | H6 | 179.3° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.0° | 0.3° |
| C3 | C2 | C1 | C22 | 178.5° | 180.0° |
| C5 | C6 | C1 | C2 | 0.5° | 0.6° |
| C5 | C6 | C1 | H6 | 180.0° | 179.4° |
| C5 | C6 | C1 | C22 | 179.0° | 179.7° |
| C2 | C1 | C6 | C22 | 178.5° | 179.7° |
| C2 | C1 | C22 | N23 | 147.1° | 180.0° |
| C2 | C1 | C22 | N24 | 38.1° | 0.0° |
| C1 | C2 | C3 | H3 | 178.3° | 180.0° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C6 | C1 | C22 | N23 | 34.4° | 0.3° |
| C6 | C1 | C22 | N24 | 140.3° | 179.7° |
| C6 | C1 | C2 | H2 | 180.0° | 179.7° |
| C1 | C6 | C5 | H5 | 179.3° | 179.7° |
| C1 | C22 | N23 | N24 | 174.8° | 179.9° |
| C22 | C1 | C2 | H2 | 1.5° | 0.0° |
| C22 | C1 | C6 | H6 | 1.0° | 0.3° |
| C1 | C22 | N23 | HN23 | 174.8° | 0.1° |
| C1 | C22 | N23 | HN2A | 5.2° | 180.0° |
| C1 | C22 | N24 | HN24 | 174.8° | 180.0° |
| C22 | N23 | HN23 | HN2A | 180.0° | 179.9° |
| N23 | C22 | N24 | HN24 | 0.0° | 0.1° |
| N24 | C22 | N23 | HN23 | 0.0° | 180.0° |
| N24 | C22 | N23 | HN2A | 180.0° | 0.1° |
| H2 | C2 | C3 | H3 | 1.7° | 0.0° |
| H5 | C5 | C6 | H6 | 0.7° | 0.3° |
| H14 | C14 | C15 | H15 | 1.3° | 0.3° |
| H17 | C17 | C18 | H18 | 0.4° | 0.1° |
| H20 | C20 | C21 | H21 | 0.7° | 0.3° |
