74Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C21 | sing | 1.51Å | 1.49Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C9 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C21 | C19 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | C18 | sing | 1.51Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| C13 | C12 | sing | 1.41Å | 1.38Å | Aromatic |
| C13 | N29 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | N24 | sing | 1.35Å | 1.37Å | Aromatic |
| C18 | N26 | doub | 1.31Å | 1.32Å | Aromatic |
| C18 | N30 | sing | 1.35Å | 1.37Å | Aromatic |
| N26 | C17 | sing | 1.34Å | 1.37Å | Aromatic |
| N30 | C22 | sing | 1.46Å | 1.45Å | |
| N30 | N27 | sing | 1.40Å | 1.34Å | Aromatic |
| N29 | C15 | sing | 1.40Å | 1.41Å | |
| N29 | N28 | sing | 1.40Å | 1.34Å | Aromatic |
| N24 | N28 | doub | 1.29Å | 1.33Å | Aromatic |
| C17 | N27 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | C14 | sing | 1.48Å | 1.45Å | |
| N25 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| N25 | C14 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | N31 | sing | 1.39Å | 1.39Å | |
| C16 | N23 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | N23 | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C6 | H17 | sing | 1.08Å | 1.08Å | |
| N31 | H18 | sing | 0.97Å | 1.00Å | |
| N31 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C2 | 119.4° | 120.0° |
| C1 | C3 | C7 | 120.5° | 120.0° |
| C3 | C1 | H1 | 120.3° | 120.0° |
| C1 | C3 | H3 | 119.8° | 120.0° |
| C1 | C2 | C6 | 119.1° | 120.0° |
| C2 | C1 | H1 | 120.3° | 120.0° |
| C1 | C2 | H2 | 120.4° | 120.0° |
| C3 | C7 | C11 | 121.7° | 120.0° |
| C7 | C3 | H3 | 119.8° | 120.0° |
| C3 | C7 | H4 | 119.2° | 120.0° |
| C2 | C6 | C11 | 123.0° | 120.0° |
| C6 | C2 | H2 | 120.5° | 120.0° |
| C2 | C6 | H17 | 118.5° | 120.0° |
| C7 | C11 | C6 | 116.3° | 120.0° |
| C7 | C11 | C21 | 122.8° | 120.0° |
| C11 | C7 | H4 | 119.2° | 120.0° |
| C6 | C11 | C21 | 120.9° | 120.0° |
| C11 | C6 | H17 | 118.5° | 120.0° |
| C11 | C21 | C19 | 119.4° | 117.5° |
| C11 | C21 | C20 | 120.0° | 117.5° |
| C11 | C21 | C18 | 114.0° | 115.6° |
| C4 | C5 | C9 | 122.8° | 120.4° |
| C5 | C4 | C8 | 121.9° | 120.8° |
| C5 | C4 | H15 | 119.1° | 119.6° |
| C4 | C5 | H16 | 118.6° | 119.8° |
| C5 | C9 | C13 | 115.0° | 119.7° |
| C5 | C9 | H6 | 122.5° | 120.2° |
| C9 | C5 | H16 | 118.6° | 119.7° |
| C4 | C8 | C12 | 116.1° | 119.9° |
| C4 | C8 | H5 | 121.9° | 120.1° |
| C8 | C4 | H15 | 119.0° | 119.7° |
| C9 | C13 | C12 | 122.9° | 119.9° |
| C9 | C13 | N29 | 132.8° | 134.0° |
| C13 | C9 | H6 | 122.5° | 120.2° |
| C8 | C12 | C13 | 121.3° | 119.3° |
| C8 | C12 | N24 | 129.1° | 133.1° |
| C12 | C8 | H5 | 121.9° | 120.0° |
| C19 | C21 | C20 | 59.4° | 60.0° |
| C19 | C21 | C18 | 115.8° | 117.5° |
| C21 | C19 | C20 | 60.3° | 60.0° |
| C21 | C19 | H8 | 119.9° | 117.5° |
| C21 | C19 | H9 | 120.0° | 117.5° |
| C20 | C21 | C18 | 117.6° | 117.6° |
| C21 | C20 | C19 | 60.3° | 60.0° |
| C21 | C20 | H10 | 120.0° | 117.5° |
| C21 | C20 | H11 | 119.9° | 117.5° |
| C21 | C18 | N26 | 123.8° | 125.8° |
| C21 | C18 | N30 | 127.8° | 125.9° |
| C20 | C19 | H8 | 119.9° | 117.5° |
| C20 | C19 | H9 | 119.9° | 117.5° |
| C19 | C20 | H10 | 120.0° | 117.5° |
| C19 | C20 | H11 | 119.9° | 117.5° |
| C12 | C13 | N29 | 104.3° | 106.1° |
| C13 | C12 | N24 | 109.7° | 107.6° |
| C13 | N29 | C15 | 127.9° | 126.7° |
| C13 | N29 | N28 | 109.5° | 106.5° |
| C12 | N24 | N28 | 106.9° | 110.3° |
| N26 | C18 | N30 | 108.3° | 108.3° |
| C18 | N26 | C17 | 104.0° | 109.8° |
| C18 | N30 | C22 | 129.3° | 126.7° |
| C18 | N30 | N27 | 111.7° | 106.5° |
| N26 | C17 | N27 | 114.1° | 108.7° |
| N26 | C17 | C14 | 122.8° | 125.7° |
| C22 | N30 | N27 | 119.0° | 126.8° |
| N30 | C22 | H12 | 109.5° | 109.4° |
| N30 | C22 | H13 | 109.5° | 109.5° |
| N30 | C22 | H14 | 109.5° | 109.5° |
| N30 | N27 | C17 | 101.9° | 106.7° |
| C15 | N29 | N28 | 122.7° | 126.8° |
| N29 | C15 | N25 | 116.8° | 120.0° |
| N29 | C15 | C16 | 120.7° | 120.1° |
| N29 | N28 | N24 | 109.7° | 109.5° |
| N27 | C17 | C14 | 123.2° | 125.6° |
| C17 | C14 | N25 | 118.6° | 120.0° |
| C17 | C14 | C10 | 120.1° | 120.0° |
| C15 | N25 | C14 | 115.9° | 119.9° |
| N25 | C15 | C16 | 122.5° | 119.9° |
| N25 | C14 | C10 | 121.3° | 120.1° |
| C15 | C16 | N31 | 122.9° | 120.0° |
| C15 | C16 | N23 | 121.1° | 120.0° |
| C14 | C10 | N23 | 123.2° | 120.1° |
| C14 | C10 | H7 | 118.4° | 119.9° |
| N31 | C16 | N23 | 115.9° | 120.0° |
| C16 | N31 | H18 | 109.5° | 120.0° |
| C16 | N31 | H19 | 109.5° | 120.0° |
| C16 | N23 | C10 | 116.1° | 120.1° |
| N23 | C10 | H7 | 118.4° | 120.0° |
| H8 | C19 | H9 | 109.5° | 115.5° |
| H10 | C20 | H11 | 109.4° | 115.5° |
| H12 | C22 | H13 | 109.5° | 109.4° |
| H12 | C22 | H14 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.4° | 109.5° |
| H18 | N31 | H19 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C3 | C7 | H3 | 180.0° | 180.0° |
| C3 | C1 | C2 | C6 | 0.3° | 0.0° |
| C1 | C3 | C7 | C11 | 0.3° | 0.0° |
| C3 | C1 | C2 | H2 | 179.7° | 180.0° |
| C1 | C3 | C7 | H4 | 179.7° | 179.9° |
| C2 | C1 | C3 | C7 | 0.0° | 0.0° |
| C1 | C2 | C6 | H2 | 180.0° | 180.0° |
| C1 | C2 | C6 | C11 | 0.3° | 0.0° |
| C2 | C1 | C3 | H3 | 179.9° | 180.0° |
| C1 | C2 | C6 | H17 | 179.6° | 180.0° |
| C3 | C7 | C11 | H4 | 180.0° | 180.0° |
| C3 | C7 | C11 | C6 | 0.2° | 0.0° |
| C3 | C7 | C11 | C21 | 179.8° | 180.0° |
| C7 | C3 | C1 | H1 | 179.9° | 179.7° |
| C2 | C6 | C11 | C7 | 0.1° | 0.0° |
| C2 | C6 | C11 | H17 | 180.0° | 180.0° |
| C2 | C6 | C11 | C21 | 179.9° | 180.0° |
| C6 | C2 | C1 | H1 | 179.8° | 179.7° |
| C7 | C11 | C6 | C21 | 179.9° | 179.9° |
| C7 | C11 | C21 | C19 | 25.2° | 173.7° |
| C7 | C11 | C21 | C20 | 44.3° | 105.1° |
| C7 | C11 | C21 | C18 | 168.3° | 40.6° |
| C11 | C7 | C3 | H3 | 179.7° | 180.0° |
| C7 | C11 | C6 | H17 | 179.9° | 180.0° |
| C6 | C11 | C21 | C19 | 154.7° | 6.2° |
| C6 | C11 | C21 | C20 | 135.8° | 74.8° |
| C6 | C11 | C21 | C18 | 11.6° | 139.4° |
| C11 | C6 | C2 | H2 | 179.7° | 180.0° |
| C6 | C11 | C7 | H4 | 179.8° | 179.9° |
| C11 | C21 | C19 | C20 | 109.4° | 107.5° |
| C11 | C21 | C19 | C18 | 142.5° | 144.9° |
| C11 | C21 | C20 | C18 | 146.3° | 145.1° |
| C11 | C21 | C18 | N26 | 93.1° | 113.7° |
| C11 | C21 | C18 | N30 | 85.9° | 66.2° |
| C21 | C11 | C7 | H4 | 0.2° | 0.0° |
| C11 | C21 | C19 | H8 | 141.0° | 0.0° |
| C11 | C21 | C19 | H9 | 0.1° | 145.0° |
| C11 | C21 | C20 | H10 | 1.0° | 145.0° |
| C11 | C21 | C20 | H11 | 141.9° | 0.0° |
| C21 | C11 | C6 | H17 | 0.1° | 0.1° |
| C4 | C5 | C9 | H16 | 180.0° | 179.5° |
| C5 | C4 | C8 | H15 | 180.0° | 179.9° |
| C4 | C5 | C9 | C13 | 0.6° | 0.8° |
| C5 | C4 | C8 | C12 | 0.2° | 0.0° |
| C5 | C4 | C8 | H5 | 179.9° | 179.8° |
| C4 | C5 | C9 | H6 | 179.4° | 179.7° |
| C9 | C5 | C4 | C8 | 0.3° | 0.5° |
| C5 | C9 | C13 | H6 | 180.0° | 179.5° |
| C5 | C9 | C13 | C12 | 0.4° | 0.5° |
| C5 | C9 | C13 | N29 | 179.3° | 179.4° |
| C9 | C5 | C4 | H15 | 179.7° | 179.4° |
| C4 | C8 | C12 | H5 | 180.0° | 179.8° |
| C4 | C8 | C12 | C13 | 0.3° | 0.2° |
| C4 | C8 | C12 | N24 | 179.2° | 179.7° |
| C8 | C4 | C5 | H16 | 179.7° | 180.0° |
| C9 | C13 | C12 | C8 | 0.0° | 0.0° |
| C9 | C13 | C12 | N29 | 179.8° | 180.0° |
| C9 | C13 | C12 | N24 | 179.6° | 179.9° |
| C9 | C13 | N29 | C15 | 0.4° | 0.1° |
| C9 | C13 | N29 | N28 | 179.3° | 179.9° |
| C13 | C9 | C5 | H16 | 179.4° | 179.8° |
| C8 | C12 | C13 | N24 | 179.6° | 179.9° |
| C8 | C12 | C13 | N29 | 179.8° | 179.9° |
| C8 | C12 | N24 | N28 | 179.5° | 179.9° |
| C12 | C8 | C4 | H15 | 179.9° | 179.9° |
| C19 | C21 | C20 | C18 | 105.2° | 107.5° |
| C21 | C19 | C20 | H8 | 109.5° | 107.5° |
| C21 | C19 | C20 | H9 | 109.6° | 107.5° |
| C19 | C21 | C18 | N26 | 51.4° | 100.7° |
| C19 | C21 | C18 | N30 | 129.6° | 79.4° |
| C21 | C19 | H8 | H9 | 144.6° | 145.7° |
| C19 | C21 | C20 | H10 | 109.6° | 107.5° |
| C19 | C21 | C20 | H11 | 109.5° | 107.5° |
| C20 | C21 | C18 | N26 | 118.7° | 32.0° |
| C20 | C21 | C18 | N30 | 62.3° | 148.1° |
| C21 | C20 | H10 | H11 | 144.6° | 145.7° |
| C21 | C18 | N26 | N30 | 179.2° | 179.9° |
| C21 | C18 | N26 | C17 | 179.3° | 180.0° |
| C21 | C18 | N30 | C22 | 0.9° | 0.1° |
| C21 | C18 | N30 | N27 | 179.0° | 180.0° |
| C18 | C21 | C19 | H8 | 1.4° | 145.0° |
| C18 | C21 | C19 | H9 | 142.3° | 0.1° |
| C18 | C21 | C20 | H10 | 145.2° | 0.0° |
| C18 | C21 | C20 | H11 | 4.3° | 145.0° |
| C20 | C19 | H8 | H9 | 144.6° | 145.7° |
| C19 | C20 | H10 | H11 | 144.5° | 145.7° |
| C12 | C13 | N29 | C15 | 179.9° | 180.0° |
| C12 | C13 | N29 | N28 | 0.5° | 0.0° |
| C13 | C12 | N24 | N28 | 0.1° | 0.0° |
| C13 | C12 | C8 | H5 | 179.7° | 180.0° |
| C12 | C13 | C9 | H6 | 179.6° | 180.0° |
| N29 | C13 | C12 | N24 | 0.2° | 0.0° |
| C13 | N29 | C15 | N28 | 179.6° | 180.0° |
| C13 | N29 | N28 | N24 | 0.6° | 0.0° |
| C13 | N29 | C15 | N25 | 26.9° | 47.1° |
| C13 | N29 | C15 | C16 | 150.7° | 133.6° |
| N29 | C13 | C9 | H6 | 0.7° | 0.1° |
| C12 | N24 | N28 | N29 | 0.4° | 0.0° |
| N24 | C12 | C8 | H5 | 0.8° | 0.1° |
| N26 | C18 | N30 | C22 | 178.2° | 180.0° |
| N26 | C18 | N30 | N27 | 0.1° | 0.1° |
| C18 | N26 | C17 | N27 | 0.3° | 0.0° |
| C18 | N26 | C17 | C14 | 178.1° | 179.9° |
| N30 | C18 | N26 | C17 | 0.1° | 0.0° |
| C18 | N30 | C22 | N27 | 178.0° | 179.9° |
| C18 | N30 | N27 | C17 | 0.3° | 0.0° |
| C18 | N30 | C22 | H12 | 177.9° | 93.7° |
| C18 | N30 | C22 | H13 | 62.0° | 146.4° |
| C18 | N30 | C22 | H14 | 57.9° | 26.3° |
| N26 | C17 | N27 | N30 | 0.3° | 0.0° |
| N26 | C17 | N27 | C14 | 177.8° | 179.9° |
| N26 | C17 | C14 | N25 | 4.7° | 180.0° |
| N26 | C17 | C14 | C10 | 173.4° | 0.0° |
| C22 | N30 | N27 | C17 | 178.6° | 180.0° |
| N30 | C22 | H12 | H13 | 120.0° | 119.9° |
| N30 | C22 | H12 | H14 | 120.0° | 120.0° |
| N30 | C22 | H13 | H14 | 120.0° | 120.0° |
| N30 | N27 | C17 | C14 | 178.2° | 180.0° |
| N27 | N30 | C22 | H12 | 0.0° | 86.2° |
| N27 | N30 | C22 | H13 | 120.0° | 33.7° |
| N27 | N30 | C22 | H14 | 120.0° | 153.7° |
| C15 | N29 | N28 | N24 | 179.7° | 180.0° |
| N29 | C15 | N25 | C16 | 177.6° | 179.4° |
| N29 | C15 | N25 | C14 | 177.9° | 179.7° |
| N29 | C15 | C16 | N31 | 1.5° | 0.6° |
| N29 | C15 | C16 | N23 | 178.6° | 180.0° |
| N28 | N29 | C15 | N25 | 152.7° | 132.9° |
| N28 | N29 | C15 | C16 | 29.7° | 46.4° |
| N27 | C17 | C14 | N25 | 177.7° | 0.1° |
| N27 | C17 | C14 | C10 | 4.2° | 179.9° |
| C17 | C14 | N25 | C15 | 177.7° | 180.0° |
| C17 | C14 | N25 | C10 | 178.1° | 179.9° |
| C17 | C14 | C10 | N23 | 177.8° | 180.0° |
| C17 | C14 | C10 | H7 | 2.2° | 0.3° |
| C15 | N25 | C14 | C10 | 0.4° | 0.0° |
| N25 | C15 | C16 | N31 | 179.0° | 180.0° |
| N25 | C15 | C16 | N23 | 1.1° | 0.6° |
| C14 | N25 | C15 | C16 | 0.3° | 0.3° |
| N25 | C14 | C10 | N23 | 0.3° | 0.0° |
| N25 | C14 | C10 | H7 | 179.7° | 179.8° |
| C15 | C16 | N31 | N23 | 179.9° | 179.4° |
| C15 | C16 | N23 | C10 | 1.2° | 0.6° |
| C15 | C16 | N31 | H18 | 179.9° | 6.9° |
| C15 | C16 | N31 | H19 | 60.1° | 173.0° |
| C14 | C10 | N23 | C16 | 0.5° | 0.3° |
| C14 | C10 | N23 | H7 | 180.0° | 179.7° |
| N31 | C16 | N23 | C10 | 178.9° | 180.0° |
| C16 | N31 | H18 | H19 | 120.0° | 179.9° |
| C16 | N23 | C10 | H7 | 179.5° | 179.9° |
| N23 | C16 | N31 | H18 | 0.0° | 172.5° |
| N23 | C16 | N31 | H19 | 120.0° | 7.6° |
| H1 | C1 | C2 | H2 | 0.2° | 0.3° |
| H1 | C1 | C3 | H3 | 0.1° | 0.3° |
| H2 | C2 | C6 | H17 | 0.4° | 0.0° |
| H3 | C3 | C7 | H4 | 0.3° | 0.0° |
| H5 | C8 | C4 | H15 | 0.1° | 0.3° |
| H6 | C9 | C5 | H16 | 0.6° | 0.3° |
| H8 | C19 | C20 | H10 | 140.9° | 145.0° |
| H8 | C19 | C20 | H11 | 0.0° | 0.0° |
| H9 | C19 | C20 | H10 | 0.0° | 0.0° |
| H9 | C19 | C20 | H11 | 140.9° | 145.0° |
| H12 | C22 | H13 | H14 | 120.0° | 120.1° |
| H15 | C4 | C5 | H16 | 0.3° | 0.0° |
