74H
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 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C19 | sing | 1.51Å | 1.49Å | |
| C19 | C17 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | C15 | sing | 1.51Å | 1.55Å | |
| C6 | C8 | doub | 1.35Å | 1.37Å | Aromatic |
| C6 | C11 | sing | 1.42Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| O30 | C16 | doub | 1.22Å | 1.22Å | |
| C8 | N26 | sing | 1.36Å | 1.37Å | Aromatic |
| C15 | N24 | doub | 1.31Å | 1.32Å | Aromatic |
| C15 | N27 | sing | 1.35Å | 1.37Å | Aromatic |
| N24 | C14 | sing | 1.34Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.48Å | 1.45Å | |
| C11 | N23 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | N29 | sing | 1.35Å | 1.37Å | |
| N26 | N23 | sing | 1.28Å | 1.34Å | Aromatic |
| N26 | C12 | sing | 1.40Å | 1.40Å | |
| N27 | C20 | sing | 1.46Å | 1.45Å | |
| N27 | N25 | sing | 1.40Å | 1.34Å | Aromatic |
| N22 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| N22 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| C14 | C10 | sing | 1.48Å | 1.45Å | |
| C14 | N25 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | N28 | sing | 1.39Å | 1.40Å | |
| C13 | N21 | doub | 1.33Å | 1.34Å | Aromatic |
| C7 | N21 | sing | 1.32Å | 1.34Å | 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 | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| N29 | H9 | sing | 0.97Å | 1.00Å | |
| N29 | H10 | sing | 0.97Å | 1.00Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| N28 | H18 | sing | 0.97Å | 1.00Å | |
| N28 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C2 | 119.5° | 120.0° |
| C1 | C3 | C5 | 120.7° | 120.0° |
| C3 | C1 | H1 | 120.3° | 120.0° |
| C1 | C3 | H3 | 119.7° | 120.0° |
| C1 | C2 | C4 | 118.6° | 120.0° |
| C2 | C1 | H1 | 120.3° | 120.0° |
| C1 | C2 | H2 | 120.7° | 120.0° |
| C3 | C5 | C9 | 121.6° | 120.0° |
| C5 | C3 | H3 | 119.6° | 120.0° |
| C3 | C5 | H12 | 119.2° | 120.0° |
| C2 | C4 | C9 | 123.6° | 120.0° |
| C4 | C2 | H2 | 120.7° | 120.0° |
| C2 | C4 | H11 | 118.2° | 120.0° |
| C5 | C9 | C4 | 116.0° | 120.0° |
| C5 | C9 | C19 | 122.8° | 120.0° |
| C9 | C5 | H12 | 119.2° | 120.0° |
| C4 | C9 | C19 | 121.2° | 120.0° |
| C9 | C4 | H11 | 118.2° | 120.0° |
| C9 | C19 | C17 | 117.3° | 117.5° |
| C9 | C19 | C18 | 121.4° | 117.5° |
| C9 | C19 | C15 | 114.5° | 115.5° |
| C17 | C19 | C18 | 59.4° | 60.0° |
| C17 | C19 | C15 | 116.0° | 117.5° |
| C19 | C17 | C18 | 60.3° | 60.0° |
| C19 | C17 | H14 | 119.9° | 117.5° |
| C19 | C17 | H15 | 120.0° | 117.5° |
| C18 | C19 | C15 | 117.1° | 117.6° |
| C19 | C18 | C17 | 60.2° | 60.0° |
| C19 | C18 | H16 | 119.9° | 117.5° |
| C19 | C18 | H17 | 119.9° | 117.5° |
| C19 | C15 | N24 | 123.3° | 125.8° |
| C19 | C15 | N27 | 128.3° | 125.9° |
| C8 | C6 | C11 | 105.2° | 105.6° |
| C6 | C8 | N26 | 106.8° | 107.1° |
| C6 | C8 | H5 | 126.6° | 126.4° |
| C8 | C6 | H13 | 127.4° | 127.3° |
| C6 | C11 | C16 | 126.2° | 126.4° |
| C6 | C11 | N23 | 110.7° | 107.1° |
| C11 | C6 | H13 | 127.4° | 127.2° |
| C18 | C17 | H14 | 120.0° | 117.5° |
| C18 | C17 | H15 | 120.0° | 117.5° |
| C17 | C18 | H16 | 119.9° | 117.5° |
| C17 | C18 | H17 | 120.0° | 117.5° |
| O30 | C16 | C11 | 122.0° | 120.0° |
| O30 | C16 | N29 | 122.7° | 120.0° |
| C8 | N26 | N23 | 111.9° | 110.1° |
| C8 | N26 | C12 | 122.6° | 124.9° |
| N26 | C8 | H5 | 126.6° | 126.5° |
| N24 | C15 | N27 | 108.3° | 108.3° |
| C15 | N24 | C14 | 104.4° | 109.8° |
| C15 | N27 | C20 | 129.5° | 126.8° |
| C15 | N27 | N25 | 111.4° | 106.5° |
| N24 | C14 | C10 | 122.0° | 125.7° |
| N24 | C14 | N25 | 113.7° | 108.7° |
| C16 | C11 | N23 | 123.1° | 126.4° |
| C11 | C16 | N29 | 115.2° | 120.0° |
| C11 | N23 | N26 | 105.4° | 110.1° |
| C16 | N29 | H9 | 120.0° | 120.1° |
| C16 | N29 | H10 | 120.0° | 120.0° |
| N23 | N26 | C12 | 125.5° | 125.0° |
| N26 | C12 | N22 | 112.9° | 120.1° |
| N26 | C12 | C13 | 123.9° | 120.0° |
| C20 | N27 | N25 | 119.1° | 126.8° |
| N27 | C20 | H6 | 109.5° | 109.5° |
| N27 | C20 | H7 | 109.5° | 109.5° |
| N27 | C20 | H8 | 109.5° | 109.4° |
| N27 | N25 | C14 | 102.2° | 106.7° |
| C12 | N22 | C10 | 116.6° | 120.0° |
| N22 | C12 | C13 | 123.1° | 119.9° |
| N22 | C10 | C14 | 116.5° | 120.0° |
| N22 | C10 | C7 | 120.6° | 120.1° |
| C10 | C14 | N25 | 124.2° | 125.7° |
| C14 | C10 | C7 | 122.9° | 120.0° |
| C12 | C13 | N28 | 122.4° | 120.0° |
| C12 | C13 | N21 | 120.0° | 120.0° |
| C10 | C7 | N21 | 122.9° | 120.1° |
| C10 | C7 | H4 | 118.6° | 120.0° |
| N28 | C13 | N21 | 117.6° | 120.0° |
| C13 | N28 | H18 | 109.5° | 120.0° |
| C13 | N28 | H19 | 109.5° | 120.0° |
| C13 | N21 | C7 | 116.9° | 120.0° |
| N21 | C7 | H4 | 118.6° | 120.0° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H6 | C20 | H8 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.4° | 109.5° |
| H9 | N29 | H10 | 120.0° | 119.9° |
| H14 | C17 | H15 | 109.5° | 115.5° |
| H16 | C18 | H17 | 109.5° | 115.6° |
| H18 | N28 | H19 | 109.5° | 120.1° |
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 | C5 | H3 | 180.0° | 180.0° |
| C3 | C1 | C2 | C4 | 0.4° | 0.0° |
| C1 | C3 | C5 | C9 | 0.2° | 0.1° |
| C3 | C1 | C2 | H2 | 179.6° | 180.0° |
| C1 | C3 | C5 | H12 | 179.8° | 179.9° |
| C2 | C1 | C3 | C5 | 0.8° | 0.0° |
| C1 | C2 | C4 | H2 | 180.0° | 179.9° |
| C1 | C2 | C4 | C9 | 0.5° | 0.1° |
| C2 | C1 | C3 | H3 | 179.2° | 180.0° |
| C1 | C2 | C4 | H11 | 179.5° | 180.0° |
| C3 | C5 | C9 | H12 | 180.0° | 179.8° |
| C3 | C5 | C9 | C4 | 0.6° | 0.2° |
| C3 | C5 | C9 | C19 | 179.0° | 180.0° |
| C5 | C3 | C1 | H1 | 179.3° | 179.8° |
| C2 | C4 | C9 | C5 | 1.0° | 0.2° |
| C2 | C4 | C9 | H11 | 180.0° | 179.9° |
| C2 | C4 | C9 | C19 | 178.6° | 180.0° |
| C4 | C2 | C1 | H1 | 179.6° | 179.8° |
| C5 | C9 | C4 | C19 | 179.6° | 179.8° |
| C5 | C9 | C19 | C17 | 35.2° | 4.6° |
| C5 | C9 | C19 | C18 | 34.0° | 64.0° |
| C5 | C9 | C19 | C15 | 176.1° | 150.2° |
| C9 | C5 | C3 | H3 | 179.8° | 179.9° |
| C5 | C9 | C4 | H11 | 179.0° | 179.9° |
| C4 | C9 | C19 | C17 | 144.4° | 175.6° |
| C4 | C9 | C19 | C18 | 146.4° | 115.8° |
| C4 | C9 | C19 | C15 | 3.5° | 30.0° |
| C9 | C4 | C2 | H2 | 179.5° | 180.0° |
| C4 | C9 | C5 | H12 | 179.4° | 180.0° |
| C9 | C19 | C17 | C18 | 112.1° | 107.5° |
| C9 | C19 | C17 | C15 | 140.3° | 144.9° |
| C9 | C19 | C18 | C15 | 149.2° | 145.1° |
| C9 | C19 | C15 | N24 | 90.6° | 114.0° |
| C9 | C19 | C15 | N27 | 88.9° | 65.8° |
| C19 | C9 | C4 | H11 | 1.4° | 0.1° |
| C19 | C9 | C5 | H12 | 1.0° | 0.2° |
| C9 | C19 | C17 | H14 | 138.3° | 145.0° |
| C9 | C19 | C17 | H15 | 2.5° | 0.0° |
| C9 | C19 | C18 | H16 | 4.3° | 0.0° |
| C9 | C19 | C18 | H17 | 145.2° | 145.1° |
| C17 | C19 | C18 | C15 | 105.6° | 107.5° |
| C19 | C17 | C18 | H14 | 109.6° | 107.5° |
| C19 | C17 | C18 | H15 | 109.6° | 107.5° |
| C17 | C19 | C15 | N24 | 50.8° | 100.4° |
| C17 | C19 | C15 | N27 | 129.7° | 79.8° |
| C19 | C17 | H14 | H15 | 144.5° | 145.7° |
| C17 | C19 | C18 | H16 | 109.5° | 107.5° |
| C17 | C19 | C18 | H17 | 109.5° | 107.5° |
| C18 | C19 | C15 | N24 | 118.1° | 31.8° |
| C18 | C19 | C15 | N27 | 62.4° | 148.5° |
| C19 | C18 | H16 | H17 | 144.6° | 145.7° |
| C19 | C15 | N24 | N27 | 179.6° | 179.8° |
| C19 | C15 | N24 | C14 | 178.4° | 180.0° |
| C19 | C15 | N27 | C20 | 0.1° | 0.2° |
| C19 | C15 | N27 | N25 | 178.4° | 179.8° |
| C15 | C19 | C17 | H14 | 2.0° | 0.1° |
| C15 | C19 | C17 | H15 | 142.9° | 145.0° |
| C15 | C19 | C18 | H16 | 144.9° | 145.0° |
| C15 | C19 | C18 | H17 | 3.9° | 0.0° |
| C8 | C6 | C11 | H13 | 180.0° | 180.0° |
| C6 | C8 | N26 | H5 | 180.0° | 179.7° |
| C8 | C6 | C11 | C16 | 179.3° | 179.8° |
| C8 | C6 | C11 | N23 | 0.4° | 0.2° |
| C6 | C8 | N26 | N23 | 0.2° | 0.3° |
| C6 | C8 | N26 | C12 | 179.1° | 179.8° |
| C6 | C11 | C16 | O30 | 1.1° | 0.5° |
| C11 | C6 | C8 | N26 | 0.3° | 0.0° |
| C6 | C11 | C16 | N23 | 179.8° | 179.5° |
| C6 | C11 | C16 | N29 | 179.8° | 179.6° |
| C6 | C11 | N23 | N26 | 0.3° | 0.4° |
| C11 | C6 | C8 | H5 | 179.7° | 179.7° |
| C18 | C17 | H14 | H15 | 144.6° | 145.6° |
| C17 | C18 | H16 | H17 | 144.7° | 145.7° |
| O30 | C16 | C11 | N29 | 178.8° | 179.9° |
| O30 | C16 | C11 | N23 | 178.7° | 180.0° |
| O30 | C16 | N29 | H9 | 0.0° | 180.0° |
| O30 | C16 | N29 | H10 | 180.0° | 0.1° |
| C8 | N26 | N23 | C11 | 0.1° | 0.4° |
| C8 | N26 | N23 | C12 | 178.9° | 180.0° |
| C8 | N26 | C12 | N22 | 17.6° | 24.4° |
| C8 | N26 | C12 | C13 | 158.8° | 155.1° |
| N26 | C8 | C6 | H13 | 179.7° | 180.0° |
| N24 | C15 | N27 | C20 | 179.6° | 180.0° |
| N24 | C15 | N27 | N25 | 1.2° | 0.1° |
| C15 | N24 | C14 | C10 | 176.5° | 180.0° |
| C15 | N24 | C14 | N25 | 0.9° | 0.2° |
| N27 | C15 | N24 | C14 | 1.2° | 0.2° |
| C15 | N27 | C20 | N25 | 178.3° | 179.9° |
| C15 | N27 | N25 | C14 | 0.6° | 0.1° |
| C15 | N27 | C20 | H6 | 178.3° | 94.8° |
| C15 | N27 | C20 | H7 | 61.7° | 145.1° |
| C15 | N27 | C20 | H8 | 58.3° | 25.2° |
| N24 | C14 | N25 | N27 | 0.2° | 0.2° |
| N24 | C14 | C10 | N22 | 3.3° | 179.7° |
| N24 | C14 | C10 | N25 | 177.1° | 179.7° |
| N24 | C14 | C10 | C7 | 176.1° | 0.3° |
| C16 | C11 | N23 | N26 | 179.5° | 180.0° |
| C11 | C16 | N29 | H9 | 178.7° | 0.0° |
| C11 | C16 | N29 | H10 | 1.3° | 180.0° |
| C16 | C11 | C6 | H13 | 0.6° | 0.2° |
| N23 | C11 | C16 | N29 | 0.1° | 0.1° |
| C11 | N23 | N26 | C12 | 178.8° | 179.6° |
| N23 | C11 | C6 | H13 | 179.6° | 179.8° |
| C16 | N29 | H9 | H10 | 180.0° | 180.0° |
| N23 | N26 | C12 | N22 | 163.6° | 155.5° |
| N23 | N26 | C12 | C13 | 20.0° | 25.0° |
| N23 | N26 | C8 | H5 | 179.9° | 179.9° |
| N26 | C12 | N22 | C13 | 176.5° | 179.5° |
| N26 | C12 | N22 | C10 | 176.4° | 179.7° |
| N26 | C12 | C13 | N28 | 3.1° | 0.0° |
| N26 | C12 | C13 | N21 | 176.1° | 180.0° |
| C12 | N26 | C8 | H5 | 0.9° | 0.1° |
| C20 | N27 | N25 | C14 | 179.2° | 179.8° |
| N27 | C20 | H6 | H7 | 120.0° | 120.0° |
| N27 | C20 | H6 | H8 | 120.0° | 120.0° |
| N27 | C20 | H7 | H8 | 120.0° | 120.0° |
| N27 | N25 | C14 | C10 | 177.1° | 179.9° |
| N25 | N27 | C20 | H6 | 0.0° | 85.1° |
| N25 | N27 | C20 | H7 | 120.0° | 35.0° |
| N25 | N27 | C20 | H8 | 120.0° | 154.9° |
| C12 | N22 | C10 | C14 | 179.9° | 180.0° |
| C12 | N22 | C10 | C7 | 0.5° | 0.0° |
| N22 | C12 | C13 | N28 | 179.1° | 179.5° |
| N22 | C12 | C13 | N21 | 0.0° | 0.5° |
| N22 | C10 | C14 | C7 | 179.4° | 180.0° |
| N22 | C10 | C14 | N25 | 179.5° | 0.0° |
| C10 | N22 | C12 | C13 | 0.1° | 0.2° |
| N22 | C10 | C7 | N21 | 1.3° | 0.0° |
| N22 | C10 | C7 | H4 | 178.7° | 179.8° |
| C14 | C10 | C7 | N21 | 179.3° | 180.0° |
| C14 | C10 | C7 | H4 | 0.7° | 0.2° |
| N25 | C14 | C10 | C7 | 1.0° | 180.0° |
| C12 | C13 | N28 | N21 | 179.2° | 179.9° |
| C12 | C13 | N21 | C7 | 0.7° | 0.4° |
| C12 | C13 | N28 | H18 | 179.2° | 0.0° |
| C12 | C13 | N28 | H19 | 59.2° | 180.0° |
| C10 | C7 | N21 | C13 | 1.4° | 0.2° |
| C10 | C7 | N21 | H4 | 180.0° | 179.8° |
| N28 | C13 | N21 | C7 | 178.5° | 179.5° |
| C13 | N28 | H18 | H19 | 120.0° | 180.0° |
| C13 | N21 | C7 | H4 | 178.6° | 180.0° |
| N21 | C13 | N28 | H18 | 0.0° | 180.0° |
| N21 | C13 | N28 | H19 | 120.0° | 0.0° |
| H1 | C1 | C2 | H2 | 0.4° | 0.3° |
| H1 | C1 | C3 | H3 | 0.8° | 0.2° |
| H2 | C2 | C4 | H11 | 0.5° | 0.1° |
| H3 | C3 | C5 | H12 | 0.2° | 0.1° |
| H5 | C8 | C6 | H13 | 0.3° | 0.3° |
| H6 | C20 | H7 | H8 | 120.0° | 120.0° |
| H14 | C17 | C18 | H16 | 140.9° | 145.0° |
| H14 | C17 | C18 | H17 | 0.0° | 0.0° |
| H15 | C17 | C18 | H16 | 0.1° | 0.0° |
| H15 | C17 | C18 | H17 | 140.9° | 145.0° |
