8P6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | N25 | trip | 1.14Å | 1.15Å | |
| N7 | C8 | sing | 1.39Å | 1.28Å | Aromatic |
| N7 | C4 | sing | 1.36Å | 1.28Å | Aromatic |
| C8 | C9 | doub | 1.32Å | 1.35Å | Aromatic |
| N25 | C13 | sing | 1.43Å | 1.50Å | |
| C4 | C3 | doub | 1.39Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.35Å | Aromatic |
| C9 | C5 | sing | 1.46Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C13 | C10 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C17 | C23 | doub | 1.31Å | 1.35Å | |
| C17 | C14 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.40Å | 1.34Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C21 | sing | 1.53Å | 1.55Å | |
| C6 | C1 | sing | 1.36Å | 1.35Å | Aromatic |
| C6 | C12 | sing | 1.50Å | 1.54Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C11 | C16 | sing | 1.53Å | 1.54Å | |
| C12 | C18 | sing | 1.53Å | 1.55Å | |
| C12 | C19 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H25 | sing | 1.08Å | 1.08Å | |
| C8 | H26 | sing | 1.08Å | 1.08Å | |
| N7 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N25 | C13 | 177.2° | 180.0° |
| C8 | N7 | C4 | 109.9° | 110.4° |
| N7 | C8 | C9 | 109.0° | 110.3° |
| N7 | C8 | H26 | 125.5° | 124.8° |
| C8 | N7 | H29 | 125.0° | 124.9° |
| N7 | C4 | C3 | 132.6° | 137.1° |
| N7 | C4 | C5 | 108.3° | 105.6° |
| C4 | N7 | H29 | 125.0° | 124.8° |
| C8 | C9 | C5 | 105.4° | 105.6° |
| C8 | C9 | C10 | 133.2° | 136.1° |
| C9 | C8 | H26 | 125.5° | 124.9° |
| N25 | C13 | C10 | 108.3° | 109.5° |
| N25 | C13 | C14 | 111.6° | 109.5° |
| N25 | C13 | H4 | 108.4° | 109.5° |
| C3 | C4 | C5 | 119.1° | 117.3° |
| C4 | C3 | C2 | 117.7° | 116.8° |
| C4 | C3 | H25 | 121.1° | 121.6° |
| C4 | C5 | C9 | 107.3° | 108.2° |
| C4 | C5 | C6 | 125.1° | 126.0° |
| C3 | C2 | C1 | 121.7° | 124.3° |
| C3 | C2 | H16 | 119.1° | 117.8° |
| C2 | C3 | H25 | 121.1° | 121.6° |
| C5 | C9 | C10 | 121.4° | 118.4° |
| C9 | C5 | C6 | 127.6° | 125.8° |
| C9 | C10 | C13 | 113.9° | 111.0° |
| C9 | C10 | C11 | 107.9° | 107.7° |
| C9 | C10 | H2 | 107.6° | 109.6° |
| C10 | C13 | C14 | 112.7° | 109.3° |
| C13 | C10 | C11 | 113.0° | 109.1° |
| C13 | C10 | H2 | 107.1° | 109.7° |
| C10 | C13 | H4 | 107.9° | 109.5° |
| C13 | C14 | C17 | 112.1° | 109.5° |
| C13 | C14 | C15 | 108.4° | 109.7° |
| C13 | C14 | C21 | 109.4° | 109.5° |
| C14 | C13 | H4 | 107.8° | 109.5° |
| C23 | C17 | C14 | 124.3° | 120.0° |
| C23 | C17 | H9 | 117.9° | 120.1° |
| C17 | C23 | H20 | 120.0° | 119.9° |
| C17 | C23 | H21 | 120.0° | 120.0° |
| C17 | C14 | C15 | 109.1° | 109.4° |
| C17 | C14 | C21 | 107.8° | 109.4° |
| C14 | C17 | H9 | 117.9° | 119.9° |
| C5 | C6 | C1 | 114.8° | 115.4° |
| C5 | C6 | C12 | 118.5° | 116.4° |
| C2 | C1 | C6 | 121.5° | 120.3° |
| C2 | C1 | H1 | 119.2° | 119.9° |
| C1 | C2 | H16 | 119.2° | 117.9° |
| C10 | C11 | C12 | 113.0° | 113.6° |
| C10 | C11 | C16 | 110.4° | 109.2° |
| C11 | C10 | H2 | 107.0° | 109.7° |
| C10 | C11 | H3 | 105.6° | 108.1° |
| C15 | C14 | C21 | 110.0° | 109.4° |
| C14 | C15 | C16 | 111.7° | 109.9° |
| C14 | C15 | H5 | 109.0° | 109.5° |
| C14 | C15 | H6 | 108.9° | 109.4° |
| C14 | C21 | H17 | 109.5° | 109.4° |
| C14 | C21 | H18 | 109.4° | 109.5° |
| C14 | C21 | H19 | 109.5° | 109.4° |
| C1 | C6 | C12 | 126.7° | 128.2° |
| C6 | C1 | H1 | 119.2° | 119.8° |
| C6 | C12 | C11 | 108.6° | 110.5° |
| C6 | C12 | C18 | 114.1° | 109.3° |
| C6 | C12 | C19 | 103.8° | 109.2° |
| C15 | C16 | C11 | 111.2° | 110.2° |
| C16 | C15 | H5 | 108.9° | 109.7° |
| C16 | C15 | H6 | 108.9° | 109.0° |
| C15 | C16 | H7 | 109.0° | 109.7° |
| C15 | C16 | H8 | 109.1° | 108.3° |
| C12 | C11 | C16 | 115.7° | 110.1° |
| C11 | C12 | C18 | 110.6° | 109.2° |
| C11 | C12 | C19 | 112.1° | 109.3° |
| C12 | C11 | H3 | 105.5° | 108.1° |
| C16 | C11 | H3 | 105.7° | 107.5° |
| C11 | C16 | H7 | 109.0° | 109.5° |
| C11 | C16 | H8 | 109.0° | 109.5° |
| C18 | C12 | C19 | 107.5° | 109.3° |
| C12 | C18 | H10 | 109.5° | 109.5° |
| C12 | C18 | H11 | 109.5° | 109.5° |
| C12 | C18 | H12 | 109.5° | 109.5° |
| C12 | C19 | H13 | 109.5° | 109.5° |
| C12 | C19 | H14 | 109.4° | 109.4° |
| C12 | C19 | H15 | 109.4° | 109.5° |
| H5 | C15 | H6 | 109.4° | 109.4° |
| H7 | C16 | H8 | 109.5° | 109.6° |
| H10 | C18 | H11 | 109.4° | 109.5° |
| H10 | C18 | H12 | 109.5° | 109.4° |
| H11 | C18 | H12 | 109.5° | 109.4° |
| H13 | C19 | H14 | 109.5° | 109.4° |
| H13 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H17 | C21 | H19 | 109.4° | 109.4° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | N25 | C13 | C10 | 36.6° | 125.5° |
| C26 | N25 | C13 | C14 | 161.2° | 114.7° |
| C26 | N25 | C13 | H4 | 80.3° | 5.4° |
| C8 | N7 | C4 | H29 | 180.0° | 179.9° |
| N7 | C8 | C9 | H26 | 180.0° | 180.0° |
| C8 | N7 | C4 | C3 | 179.7° | 179.7° |
| C8 | N7 | C4 | C5 | 0.1° | 0.4° |
| N7 | C8 | C9 | C5 | 0.0° | 0.1° |
| N7 | C8 | C9 | C10 | 179.9° | 179.5° |
| C4 | N7 | C8 | C9 | 0.1° | 0.2° |
| N7 | C4 | C3 | C5 | 179.8° | 180.0° |
| N7 | C4 | C3 | C2 | 179.9° | 179.9° |
| N7 | C4 | C5 | C9 | 0.1° | 0.4° |
| N7 | C4 | C5 | C6 | 179.6° | 179.9° |
| N7 | C4 | C3 | H25 | 0.1° | 0.1° |
| C4 | N7 | C8 | H26 | 179.9° | 179.8° |
| C8 | C9 | C5 | C4 | 0.1° | 0.3° |
| C8 | C9 | C5 | C10 | 180.0° | 179.7° |
| C8 | C9 | C10 | C13 | 28.4° | 34.3° |
| C8 | C9 | C5 | C6 | 179.5° | 180.0° |
| C8 | C9 | C10 | C11 | 154.8° | 153.6° |
| C8 | C9 | C10 | H2 | 90.1° | 87.1° |
| C9 | C8 | N7 | H29 | 180.0° | 179.9° |
| N25 | C13 | C10 | C9 | 52.4° | 59.3° |
| N25 | C13 | C10 | C14 | 123.9° | 119.9° |
| N25 | C13 | C10 | H4 | 117.2° | 120.1° |
| N25 | C13 | C14 | H4 | 118.9° | 120.1° |
| N25 | C13 | C14 | C17 | 53.6° | 60.0° |
| N25 | C13 | C10 | C11 | 71.3° | 59.3° |
| N25 | C13 | C14 | C15 | 67.0° | 60.0° |
| N25 | C13 | C14 | C21 | 173.1° | 179.9° |
| N25 | C13 | C10 | H2 | 171.2° | 179.4° |
| C4 | C3 | C2 | H25 | 180.0° | 180.0° |
| C3 | C4 | C5 | C9 | 179.8° | 179.6° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C4 | C3 | C2 | H16 | 179.8° | 179.9° |
| C3 | C4 | N7 | H29 | 0.2° | 0.3° |
| C5 | C4 | C3 | C2 | 0.3° | 0.1° |
| C4 | C5 | C9 | C6 | 179.5° | 179.7° |
| C4 | C5 | C9 | C10 | 180.0° | 179.4° |
| C4 | C5 | C6 | C1 | 0.9° | 0.1° |
| C4 | C5 | C6 | C12 | 179.2° | 179.2° |
| C5 | C4 | C3 | H25 | 179.7° | 179.9° |
| C5 | C4 | N7 | H29 | 179.9° | 179.7° |
| C3 | C2 | C1 | H16 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.4° | 0.3° |
| C3 | C2 | C1 | H1 | 179.6° | 180.0° |
| C5 | C9 | C10 | C13 | 151.6° | 145.3° |
| C5 | C9 | C10 | C11 | 25.3° | 26.0° |
| C9 | C5 | C6 | C1 | 179.8° | 179.7° |
| C9 | C5 | C6 | C12 | 1.4° | 1.2° |
| C5 | C9 | C10 | H2 | 89.8° | 93.3° |
| C5 | C9 | C8 | H26 | 180.0° | 179.9° |
| C9 | C10 | C13 | C11 | 123.6° | 118.5° |
| C9 | C10 | C13 | H2 | 118.8° | 121.3° |
| C9 | C10 | C13 | C14 | 176.3° | 179.2° |
| C10 | C9 | C5 | C6 | 0.5° | 0.3° |
| C9 | C10 | C11 | H2 | 115.5° | 119.3° |
| C9 | C10 | C11 | C12 | 50.9° | 55.8° |
| C9 | C10 | C11 | C16 | 177.7° | 179.1° |
| C9 | C10 | C11 | H3 | 63.9° | 64.2° |
| C9 | C10 | C13 | H4 | 64.8° | 60.8° |
| C10 | C9 | C8 | H26 | 0.1° | 0.5° |
| C10 | C13 | C14 | H4 | 119.0° | 120.0° |
| C10 | C13 | C14 | C17 | 175.7° | 179.9° |
| C13 | C10 | C11 | H2 | 117.7° | 120.1° |
| C10 | C13 | C14 | C15 | 55.1° | 59.9° |
| C10 | C13 | C14 | C21 | 64.8° | 60.1° |
| C13 | C10 | C11 | C12 | 177.7° | 176.4° |
| C13 | C10 | C11 | C16 | 50.9° | 60.3° |
| C13 | C10 | C11 | H3 | 62.9° | 56.3° |
| C13 | C14 | C17 | C23 | 172.4° | 120.0° |
| C13 | C14 | C17 | C15 | 120.2° | 120.2° |
| C13 | C14 | C17 | C21 | 120.4° | 119.9° |
| C14 | C13 | C10 | C11 | 52.7° | 60.7° |
| C13 | C14 | C15 | C21 | 119.5° | 120.1° |
| C13 | C14 | C15 | C16 | 58.9° | 59.0° |
| C14 | C13 | C10 | H2 | 64.9° | 59.5° |
| C13 | C14 | C15 | H5 | 179.2° | 179.5° |
| C13 | C14 | C15 | H6 | 61.4° | 60.7° |
| C13 | C14 | C17 | H9 | 7.6° | 60.0° |
| C13 | C14 | C21 | H17 | 180.0° | 60.0° |
| C13 | C14 | C21 | H18 | 60.0° | 180.0° |
| C13 | C14 | C21 | H19 | 60.0° | 59.9° |
| C23 | C17 | C14 | H9 | 180.0° | 180.0° |
| C23 | C17 | C14 | C15 | 67.4° | 0.2° |
| C23 | C17 | C14 | C21 | 52.0° | 120.1° |
| C17 | C23 | H20 | H21 | 180.0° | 180.0° |
| C17 | C14 | C15 | C21 | 118.0° | 119.8° |
| C17 | C14 | C15 | C16 | 178.7° | 179.1° |
| C17 | C14 | C13 | H4 | 65.3° | 60.1° |
| C17 | C14 | C15 | H5 | 58.3° | 60.4° |
| C17 | C14 | C15 | H6 | 61.0° | 59.4° |
| C17 | C14 | C21 | H17 | 57.8° | 60.0° |
| C17 | C14 | C21 | H18 | 177.9° | 60.1° |
| C17 | C14 | C21 | H19 | 62.1° | 179.9° |
| C14 | C17 | C23 | H20 | 180.0° | 180.0° |
| C14 | C17 | C23 | H21 | 0.0° | 0.0° |
| C5 | C6 | C1 | C2 | 0.9° | 0.3° |
| C5 | C6 | C1 | C12 | 178.2° | 179.0° |
| C5 | C6 | C12 | C11 | 26.8° | 29.3° |
| C5 | C6 | C12 | C18 | 150.7° | 149.6° |
| C5 | C6 | C12 | C19 | 92.6° | 90.9° |
| C5 | C6 | C1 | H1 | 179.1° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | C12 | 179.1° | 179.3° |
| C1 | C2 | C3 | H25 | 179.7° | 179.9° |
| C10 | C11 | C12 | C6 | 52.0° | 58.8° |
| C10 | C11 | C16 | C15 | 54.1° | 59.8° |
| C10 | C11 | C12 | C16 | 128.7° | 122.8° |
| C10 | C11 | C12 | H3 | 114.8° | 120.0° |
| C10 | C11 | C16 | H3 | 113.7° | 117.1° |
| C10 | C11 | C12 | C18 | 178.0° | 179.1° |
| C10 | C11 | C12 | C19 | 62.0° | 61.3° |
| C11 | C10 | C13 | H4 | 171.6° | 179.3° |
| C10 | C11 | C16 | H7 | 66.1° | 179.4° |
| C10 | C11 | C16 | H8 | 174.4° | 59.3° |
| C14 | C15 | C16 | H5 | 120.4° | 120.4° |
| C14 | C15 | C16 | H6 | 120.4° | 119.9° |
| C14 | C15 | C16 | C11 | 59.9° | 59.0° |
| C15 | C14 | C13 | H4 | 174.1° | 179.9° |
| C14 | C15 | H5 | H6 | 119.0° | 119.9° |
| C14 | C15 | C16 | H7 | 60.3° | 179.7° |
| C14 | C15 | C16 | H8 | 179.8° | 60.7° |
| C15 | C14 | C17 | H9 | 112.6° | 179.8° |
| C15 | C14 | C21 | H17 | 61.1° | 179.8° |
| C15 | C14 | C21 | H18 | 59.0° | 59.8° |
| C15 | C14 | C21 | H19 | 179.0° | 60.3° |
| C21 | C14 | C15 | C16 | 60.6° | 61.1° |
| C21 | C14 | C13 | H4 | 54.2° | 59.8° |
| C21 | C14 | C15 | H5 | 59.7° | 59.4° |
| C21 | C14 | C15 | H6 | 179.0° | 179.3° |
| C21 | C14 | C17 | H9 | 128.0° | 59.9° |
| C14 | C21 | H17 | H18 | 120.0° | 120.0° |
| C14 | C21 | H17 | H19 | 120.0° | 119.9° |
| C14 | C21 | H18 | H19 | 120.0° | 120.0° |
| C1 | C6 | C12 | C11 | 155.1° | 151.7° |
| C1 | C6 | C12 | C18 | 31.2° | 31.4° |
| C1 | C6 | C12 | C19 | 85.6° | 88.1° |
| C6 | C1 | C2 | H16 | 179.6° | 179.7° |
| C6 | C12 | C11 | C18 | 125.9° | 120.3° |
| C6 | C12 | C11 | C19 | 114.0° | 120.2° |
| C6 | C12 | C11 | C16 | 179.3° | 178.4° |
| C6 | C12 | C18 | C19 | 114.5° | 119.5° |
| C12 | C6 | C1 | H1 | 0.9° | 1.0° |
| C6 | C12 | C11 | H3 | 62.8° | 61.2° |
| C6 | C12 | C18 | H10 | 180.0° | 61.1° |
| C6 | C12 | C18 | H11 | 60.0° | 59.0° |
| C6 | C12 | C18 | H12 | 60.0° | 178.9° |
| C6 | C12 | C19 | H13 | 180.0° | 179.0° |
| C6 | C12 | C19 | H14 | 60.0° | 59.0° |
| C6 | C12 | C19 | H15 | 60.0° | 61.0° |
| C15 | C16 | C11 | C12 | 175.9° | 174.9° |
| C15 | C16 | C11 | H7 | 120.2° | 120.8° |
| C15 | C16 | C11 | H8 | 120.3° | 119.0° |
| C15 | C16 | C11 | H3 | 59.6° | 57.3° |
| C16 | C15 | H5 | H6 | 119.0° | 119.5° |
| C15 | C16 | H7 | H8 | 119.2° | 118.7° |
| C12 | C11 | C16 | H3 | 116.3° | 117.6° |
| C11 | C12 | C18 | C19 | 122.7° | 119.5° |
| C12 | C11 | C10 | H2 | 64.6° | 63.5° |
| C12 | C11 | C16 | H7 | 63.9° | 54.1° |
| C12 | C11 | C16 | H8 | 55.6° | 66.1° |
| C11 | C12 | C18 | H10 | 57.2° | 59.9° |
| C11 | C12 | C18 | H11 | 62.8° | 180.0° |
| C11 | C12 | C18 | H12 | 177.2° | 60.0° |
| C11 | C12 | C19 | H13 | 63.0° | 60.0° |
| C11 | C12 | C19 | H14 | 176.9° | 180.0° |
| C11 | C12 | C19 | H15 | 56.9° | 60.0° |
| C16 | C11 | C12 | C18 | 53.3° | 58.1° |
| C16 | C11 | C12 | C19 | 66.7° | 61.5° |
| C16 | C11 | C10 | H2 | 66.7° | 59.8° |
| C11 | C16 | C15 | H5 | 179.7° | 179.4° |
| C11 | C16 | C15 | H6 | 60.4° | 60.8° |
| C11 | C16 | H7 | H8 | 119.2° | 120.1° |
| C18 | C12 | C11 | H3 | 63.2° | 59.1° |
| C12 | C18 | H10 | H11 | 120.0° | 120.0° |
| C12 | C18 | H10 | H12 | 120.0° | 120.0° |
| C12 | C18 | H11 | H12 | 120.0° | 120.0° |
| C18 | C12 | C19 | H13 | 58.7° | 59.4° |
| C18 | C12 | C19 | H14 | 61.3° | 60.5° |
| C18 | C12 | C19 | H15 | 178.7° | 179.4° |
| C19 | C12 | C11 | H3 | 176.8° | 178.6° |
| C19 | C12 | C18 | H10 | 65.5° | 179.4° |
| C19 | C12 | C18 | H11 | 174.6° | 60.5° |
| C19 | C12 | C18 | H12 | 54.5° | 59.5° |
| C12 | C19 | H13 | H14 | 120.0° | 120.0° |
| C12 | C19 | H13 | H15 | 120.0° | 120.0° |
| C12 | C19 | H14 | H15 | 120.0° | 120.0° |
| H1 | C1 | C2 | H16 | 0.4° | 0.0° |
| H2 | C10 | C11 | H3 | 179.4° | 176.5° |
| H2 | C10 | C13 | H4 | 54.0° | 60.5° |
| H3 | C11 | C16 | H7 | 179.8° | 63.5° |
| H3 | C11 | C16 | H8 | 60.7° | 176.3° |
| H5 | C15 | C16 | H7 | 60.1° | 59.9° |
| H5 | C15 | C16 | H8 | 59.5° | 59.6° |
| H6 | C15 | C16 | H7 | 179.3° | 59.8° |
| H6 | C15 | C16 | H8 | 59.8° | 179.4° |
| H9 | C17 | C23 | H20 | 0.0° | 0.0° |
| H9 | C17 | C23 | H21 | 180.0° | 180.0° |
| H10 | C18 | H11 | H12 | 120.0° | 120.0° |
| H13 | C19 | H14 | H15 | 120.0° | 120.0° |
| H16 | C2 | C3 | H25 | 0.3° | 0.1° |
| H17 | C21 | H18 | H19 | 120.0° | 120.0° |
| H26 | C8 | N7 | H29 | 0.0° | 0.1° |
