N4D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C19 | sing | 1.51Å | 1.51Å | |
| C13 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C12 | sing | 1.48Å | 1.49Å | |
| C18 | N26 | sing | 1.35Å | 1.38Å | |
| C18 | O27 | doub | 1.22Å | 1.22Å | |
| C17 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C17 | N23 | sing | 1.33Å | 1.35Å | Aromatic |
| C17 | N25 | sing | 1.38Å | 1.39Å | |
| C16 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C16 | N22 | doub | 1.33Å | 1.35Å | Aromatic |
| C16 | N24 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | N25 | sing | 1.40Å | 1.40Å | |
| C20 | N26 | sing | 1.47Å | 1.44Å | |
| C11 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N21 | doub | 1.30Å | 1.33Å | Aromatic |
| C10 | N22 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | N23 | doub | 1.32Å | 1.35Å | Aromatic |
| C14 | N24 | sing | 1.40Å | 1.43Å | Aromatic |
| N21 | N24 | sing | 1.40Å | 1.36Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| N26 | HN26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C13 | C19 | 121.7° | 119.9° |
| C15 | C13 | C5 | 119.4° | 120.2° |
| C13 | C15 | C8 | 119.6° | 120.0° |
| C13 | C15 | N25 | 120.0° | 120.0° |
| C19 | C13 | C5 | 118.9° | 119.9° |
| C13 | C19 | H19 | 109.5° | 109.5° |
| C13 | C19 | H19A | 109.4° | 109.5° |
| C13 | C19 | H19B | 109.5° | 109.4° |
| C13 | C5 | C4 | 120.7° | 120.3° |
| C13 | C5 | H5 | 119.6° | 119.9° |
| C12 | C18 | N26 | 117.8° | 120.0° |
| C12 | C18 | O27 | 119.2° | 120.0° |
| C18 | C12 | C4 | 120.9° | 120.1° |
| C18 | C12 | C8 | 119.3° | 120.1° |
| N26 | C18 | O27 | 123.0° | 120.0° |
| C18 | N26 | C20 | 119.1° | 120.0° |
| C18 | N26 | HN26 | 120.4° | 120.0° |
| C11 | C17 | N23 | 117.3° | 118.4° |
| C11 | C17 | N25 | 120.6° | 120.8° |
| C17 | C11 | C16 | 118.8° | 118.3° |
| C17 | C11 | C9 | 136.9° | 134.7° |
| N23 | C17 | N25 | 122.1° | 120.8° |
| C17 | N23 | C10 | 118.4° | 121.2° |
| C17 | N25 | C15 | 129.3° | 120.0° |
| C17 | N25 | HN25 | 115.3° | 120.0° |
| C11 | C16 | N22 | 124.9° | 118.8° |
| C11 | C16 | N24 | 106.9° | 106.5° |
| C16 | C11 | C9 | 104.3° | 107.1° |
| N22 | C16 | N24 | 128.2° | 134.7° |
| C16 | N22 | C10 | 111.6° | 120.7° |
| C16 | N24 | C14 | 129.5° | 125.9° |
| C16 | N24 | N21 | 110.7° | 108.2° |
| C8 | C15 | N25 | 120.4° | 120.0° |
| C15 | C8 | C12 | 120.2° | 119.8° |
| C15 | C8 | H8 | 119.9° | 120.1° |
| C15 | N25 | HN25 | 115.4° | 120.0° |
| N26 | C20 | H20 | 109.5° | 109.4° |
| N26 | C20 | H20A | 109.5° | 109.5° |
| N26 | C20 | H20B | 109.4° | 109.4° |
| C20 | N26 | HN26 | 120.5° | 120.0° |
| C11 | C9 | N21 | 112.7° | 108.5° |
| C11 | C9 | H9 | 123.6° | 125.8° |
| C4 | C12 | C8 | 119.8° | 119.8° |
| C12 | C4 | C5 | 120.3° | 120.0° |
| C12 | C4 | H4 | 119.9° | 120.0° |
| C12 | C8 | H8 | 119.9° | 120.1° |
| C2 | C1 | C3 | 118.8° | 120.2° |
| C1 | C2 | C6 | 120.9° | 120.0° |
| C2 | C1 | H1 | 120.6° | 119.9° |
| C1 | C2 | H2 | 119.6° | 120.0° |
| C1 | C3 | C7 | 120.7° | 120.1° |
| C3 | C1 | H1 | 120.6° | 119.9° |
| C1 | C3 | H3 | 119.7° | 119.9° |
| C2 | C6 | C14 | 120.6° | 119.9° |
| C6 | C2 | H2 | 119.6° | 120.0° |
| C2 | C6 | H6 | 119.7° | 120.0° |
| C3 | C7 | C14 | 120.9° | 119.9° |
| C7 | C3 | H3 | 119.6° | 120.0° |
| C3 | C7 | H7 | 119.6° | 120.0° |
| C5 | C4 | H4 | 119.8° | 120.0° |
| C4 | C5 | H5 | 119.6° | 119.8° |
| C6 | C14 | C7 | 118.2° | 119.9° |
| C6 | C14 | N24 | 122.6° | 120.1° |
| C14 | C6 | H6 | 119.7° | 120.0° |
| C7 | C14 | N24 | 119.3° | 120.1° |
| C14 | C7 | H7 | 119.6° | 120.1° |
| C9 | N21 | N24 | 105.4° | 109.7° |
| N21 | C9 | H9 | 123.7° | 125.7° |
| N22 | C10 | N23 | 129.0° | 122.6° |
| N22 | C10 | H10 | 115.5° | 118.7° |
| N23 | C10 | H10 | 115.5° | 118.7° |
| C14 | N24 | N21 | 119.8° | 125.9° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.4° | 109.5° |
| H20 | C20 | H20B | 109.5° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C13 | C19 | C5 | 179.9° | 179.8° |
| C13 | C15 | N25 | C17 | 91.2° | 155.4° |
| C13 | C15 | C8 | N25 | 179.7° | 179.9° |
| C13 | C15 | C8 | C12 | 0.3° | 0.0° |
| C15 | C13 | C5 | C4 | 0.2° | 0.1° |
| C15 | C13 | C19 | H19 | 41.4° | 90.0° |
| C15 | C13 | C19 | H19A | 161.3° | 149.9° |
| C15 | C13 | C19 | H19B | 78.6° | 30.0° |
| C15 | C13 | C5 | H5 | 179.9° | 179.9° |
| C13 | C15 | C8 | H8 | 179.7° | 179.9° |
| C13 | C15 | N25 | HN25 | 88.8° | 24.6° |
| C19 | C13 | C15 | C8 | 180.0° | 180.0° |
| C19 | C13 | C15 | N25 | 0.2° | 0.0° |
| C19 | C13 | C5 | C4 | 179.7° | 179.7° |
| C13 | C19 | H19 | H19A | 120.0° | 120.0° |
| C13 | C19 | H19 | H19B | 120.0° | 120.0° |
| C13 | C19 | H19A | H19B | 120.0° | 119.9° |
| C19 | C13 | C5 | H5 | 0.2° | 0.3° |
| C5 | C13 | C15 | C8 | 0.1° | 0.2° |
| C5 | C13 | C15 | N25 | 179.7° | 179.8° |
| C13 | C5 | C4 | C12 | 0.2° | 0.6° |
| C13 | C5 | C4 | H5 | 180.0° | 179.9° |
| C5 | C13 | C19 | H19 | 138.7° | 89.8° |
| C5 | C13 | C19 | H19A | 18.7° | 30.3° |
| C5 | C13 | C19 | H19B | 101.3° | 150.2° |
| C13 | C5 | C4 | H4 | 179.8° | 179.5° |
| C12 | C18 | N26 | O27 | 179.4° | 180.0° |
| C18 | C12 | C8 | C15 | 179.5° | 179.7° |
| C12 | C18 | N26 | C20 | 163.8° | 180.0° |
| C18 | C12 | C4 | C8 | 179.2° | 179.2° |
| C18 | C12 | C4 | C5 | 179.3° | 180.0° |
| C18 | C12 | C4 | H4 | 0.7° | 0.1° |
| C18 | C12 | C8 | H8 | 0.5° | 0.2° |
| C12 | C18 | N26 | HN26 | 16.2° | 0.0° |
| C18 | N26 | C20 | HN26 | 180.0° | 180.0° |
| N26 | C18 | C12 | C4 | 2.7° | 0.0° |
| N26 | C18 | C12 | C8 | 178.1° | 179.2° |
| C18 | N26 | C20 | H20 | 144.7° | 60.0° |
| C18 | N26 | C20 | H20A | 95.3° | 60.0° |
| C18 | N26 | C20 | H20B | 24.7° | 180.0° |
| O27 | C18 | N26 | C20 | 15.6° | 0.0° |
| O27 | C18 | C12 | C4 | 176.7° | 179.9° |
| O27 | C18 | C12 | C8 | 2.5° | 0.8° |
| O27 | C18 | N26 | HN26 | 164.4° | 180.0° |
| C11 | C17 | N23 | N25 | 179.1° | 179.8° |
| C17 | C11 | C16 | C9 | 179.6° | 180.0° |
| C17 | C11 | C16 | N22 | 0.6° | 0.0° |
| C17 | C11 | C16 | N24 | 179.6° | 180.0° |
| C11 | C17 | N25 | C15 | 174.5° | 174.0° |
| C17 | C11 | C9 | N21 | 179.9° | 180.0° |
| C11 | C17 | N23 | C10 | 1.0° | 0.1° |
| C17 | C11 | C9 | H9 | 0.2° | 0.1° |
| C11 | C17 | N25 | HN25 | 5.5° | 6.0° |
| N23 | C17 | C11 | C16 | 0.4° | 0.0° |
| N23 | C17 | N25 | C15 | 6.4° | 6.2° |
| N23 | C17 | C11 | C9 | 179.0° | 180.0° |
| C17 | N23 | C10 | N22 | 0.7° | 0.1° |
| C17 | N23 | C10 | H10 | 179.3° | 180.0° |
| N23 | C17 | N25 | HN25 | 173.6° | 173.8° |
| N25 | C17 | C11 | C16 | 179.6° | 179.7° |
| C17 | N25 | C15 | C8 | 89.0° | 24.6° |
| C17 | N25 | C15 | HN25 | 180.0° | 180.0° |
| N25 | C17 | C11 | C9 | 0.2° | 0.2° |
| N25 | C17 | N23 | C10 | 179.9° | 179.7° |
| C11 | C16 | N22 | N24 | 179.8° | 180.0° |
| C16 | C11 | C9 | N21 | 0.4° | 0.0° |
| C11 | C16 | N22 | C10 | 0.9° | 0.0° |
| C11 | C16 | N24 | C14 | 178.4° | 180.0° |
| C11 | C16 | N24 | N21 | 0.4° | 0.0° |
| C16 | C11 | C9 | H9 | 179.6° | 179.9° |
| N22 | C16 | C11 | C9 | 179.8° | 180.0° |
| C16 | N22 | C10 | N23 | 0.3° | 0.1° |
| N22 | C16 | N24 | C14 | 1.4° | 0.0° |
| N22 | C16 | N24 | N21 | 179.4° | 180.0° |
| C16 | N22 | C10 | H10 | 179.7° | 180.0° |
| N24 | C16 | C11 | C9 | 0.0° | 0.0° |
| C16 | N24 | C14 | C6 | 24.1° | 145.0° |
| C16 | N24 | C14 | C7 | 154.8° | 35.0° |
| C16 | N24 | N21 | C9 | 0.6° | 0.0° |
| N24 | C16 | N22 | C10 | 179.3° | 179.9° |
| C16 | N24 | C14 | N21 | 177.8° | 179.9° |
| C15 | C8 | C12 | C4 | 0.3° | 0.6° |
| C15 | C8 | C12 | H8 | 180.0° | 180.0° |
| C8 | C15 | N25 | HN25 | 91.0° | 155.3° |
| N25 | C15 | C8 | C12 | 179.4° | 180.0° |
| N25 | C15 | C8 | H8 | 0.6° | 0.0° |
| N26 | C20 | H20 | H20A | 120.0° | 120.0° |
| N26 | C20 | H20 | H20B | 120.0° | 120.0° |
| N26 | C20 | H20A | H20B | 120.0° | 120.0° |
| C11 | C9 | N21 | H9 | 180.0° | 179.9° |
| C11 | C9 | N21 | N24 | 0.7° | 0.0° |
| C12 | C4 | C5 | H4 | 180.0° | 179.9° |
| C12 | C4 | C5 | H5 | 179.9° | 179.4° |
| C4 | C12 | C8 | H8 | 179.7° | 179.4° |
| C8 | C12 | C4 | C5 | 0.1° | 0.8° |
| C8 | C12 | C4 | H4 | 179.9° | 179.3° |
| C2 | C1 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C6 | H2 | 180.0° | 179.9° |
| C2 | C1 | C3 | C7 | 0.1° | 0.0° |
| C1 | C2 | C6 | C14 | 0.3° | 0.1° |
| C2 | C1 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | C6 | H6 | 179.7° | 180.0° |
| C3 | C1 | C2 | C6 | 0.1° | 0.0° |
| C1 | C3 | C7 | H3 | 180.0° | 180.0° |
| C1 | C3 | C7 | C14 | 0.2° | 0.0° |
| C3 | C1 | C2 | H2 | 179.9° | 179.9° |
| C1 | C3 | C7 | H7 | 179.8° | 180.0° |
| C2 | C6 | C14 | H6 | 180.0° | 180.0° |
| C2 | C6 | C14 | C7 | 0.4° | 0.0° |
| C2 | C6 | C14 | N24 | 179.4° | 180.0° |
| C6 | C2 | C1 | H1 | 179.9° | 179.7° |
| C3 | C7 | C14 | C6 | 0.4° | 0.0° |
| C3 | C7 | C14 | H7 | 180.0° | 180.0° |
| C3 | C7 | C14 | N24 | 179.4° | 180.0° |
| C7 | C3 | C1 | H1 | 179.9° | 179.7° |
| C6 | C14 | C7 | N24 | 179.0° | 180.0° |
| C6 | C14 | N24 | N21 | 158.0° | 34.9° |
| C14 | C6 | C2 | H2 | 179.7° | 179.9° |
| C6 | C14 | C7 | H7 | 179.6° | 180.0° |
| C7 | C14 | N24 | N21 | 23.0° | 145.0° |
| C14 | C7 | C3 | H3 | 179.8° | 180.0° |
| C7 | C14 | C6 | H6 | 179.5° | 180.0° |
| C9 | N21 | N24 | C14 | 178.9° | 180.0° |
| N22 | C10 | N23 | H10 | 180.0° | 179.9° |
| N24 | C14 | C6 | H6 | 0.6° | 0.0° |
| N24 | C14 | C7 | H7 | 0.6° | 0.1° |
| N24 | N21 | C9 | H9 | 179.4° | 180.0° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H20 | C20 | H20A | H20B | 120.0° | 120.1° |
| H20 | C20 | N26 | HN26 | 35.3° | 120.0° |
| H20A | C20 | N26 | HN26 | 84.7° | 120.0° |
| H20B | C20 | N26 | HN26 | 155.3° | 0.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.4° |
| H1 | C1 | C3 | H3 | 0.1° | 0.3° |
| H2 | C2 | C6 | H6 | 0.3° | 0.1° |
| H3 | C3 | C7 | H7 | 0.2° | 0.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.5° |
