57P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.48Å | |
| C24 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.41Å | 1.50Å | Aromatic |
| C8 | C7 | sing | 1.47Å | 1.46Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.43Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | N | sing | 1.38Å | 1.35Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.50Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C14 | doub | 1.38Å | 1.45Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| N | C14 | sing | 1.37Å | 1.36Å | Aromatic |
| N | C21 | sing | 1.46Å | 1.49Å | |
| C14 | C15 | sing | 1.48Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| O1 | C23 | doub | 1.21Å | 1.27Å | |
| C23 | O2 | sing | 1.34Å | 1.29Å | |
| C15 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C26 | C24 | 57.9° | 60.0° |
| C26 | C25 | C24 | 61.5° | 60.0° |
| C26 | C25 | H11 | 119.8° | 117.6° |
| C26 | C25 | H12 | 119.7° | 117.5° |
| C25 | C26 | H22 | 120.3° | 117.6° |
| C25 | C26 | H23 | 120.3° | 117.5° |
| C26 | C24 | C25 | 60.6° | 60.0° |
| C26 | C24 | C10 | 110.8° | 117.5° |
| C26 | C24 | H10 | 123.7° | 117.5° |
| C24 | C26 | H22 | 120.3° | 117.5° |
| C24 | C26 | H23 | 120.3° | 117.5° |
| C25 | C24 | C10 | 92.3° | 117.5° |
| C25 | C24 | H10 | 125.1° | 117.5° |
| C24 | C25 | H11 | 119.8° | 117.5° |
| C24 | C25 | H12 | 119.8° | 117.5° |
| C24 | C10 | C11 | 125.4° | 119.7° |
| C24 | C10 | C9 | 114.1° | 119.8° |
| C10 | C24 | H10 | 123.6° | 115.5° |
| C11 | C10 | C9 | 120.4° | 120.4° |
| C10 | C11 | C12 | 123.8° | 120.6° |
| C10 | C11 | H4 | 118.1° | 119.7° |
| C10 | C9 | C8 | 118.4° | 119.8° |
| C10 | C9 | H20 | 120.9° | 120.1° |
| C11 | C12 | C13 | 116.4° | 119.8° |
| C12 | C11 | H4 | 118.1° | 119.7° |
| C11 | C12 | H21 | 121.8° | 120.1° |
| C9 | C8 | C13 | 121.6° | 120.1° |
| C9 | C8 | C7 | 132.2° | 133.6° |
| C8 | C9 | H20 | 120.8° | 120.2° |
| C12 | C13 | C8 | 119.3° | 119.2° |
| C12 | C13 | N | 133.3° | 132.9° |
| C13 | C12 | H21 | 121.8° | 120.1° |
| C13 | C8 | C7 | 106.1° | 106.3° |
| C8 | C13 | N | 107.4° | 107.9° |
| C8 | C7 | C4 | 126.0° | 126.8° |
| C8 | C7 | C14 | 104.6° | 106.5° |
| C3 | C2 | C1 | 119.7° | 120.2° |
| C2 | C3 | C4 | 118.2° | 119.8° |
| C3 | C2 | H1 | 120.2° | 119.9° |
| C2 | C3 | H19 | 120.9° | 120.1° |
| C2 | C1 | C6 | 120.1° | 120.3° |
| C1 | C2 | H1 | 120.2° | 120.0° |
| C2 | C1 | H5 | 119.9° | 119.8° |
| C3 | C4 | C7 | 113.6° | 120.1° |
| C3 | C4 | C5 | 122.6° | 119.7° |
| C4 | C3 | H19 | 120.9° | 120.1° |
| C13 | N | C14 | 111.3° | 110.1° |
| C13 | N | C21 | 120.6° | 125.0° |
| C1 | C6 | C5 | 120.2° | 120.1° |
| C1 | C6 | H3 | 119.9° | 119.9° |
| C6 | C1 | H5 | 120.0° | 119.9° |
| C7 | C4 | C5 | 123.6° | 120.1° |
| C4 | C7 | C14 | 129.4° | 126.7° |
| C4 | C5 | C6 | 119.0° | 119.9° |
| C4 | C5 | H2 | 120.5° | 120.1° |
| C7 | C14 | N | 110.7° | 109.2° |
| C7 | C14 | C15 | 124.9° | 125.4° |
| C6 | C5 | H2 | 120.5° | 120.0° |
| C5 | C6 | H3 | 119.9° | 120.0° |
| C14 | N | C21 | 127.9° | 124.9° |
| N | C14 | C15 | 124.5° | 125.4° |
| N | C21 | C22 | 101.6° | 109.5° |
| N | C21 | H6 | 111.4° | 109.5° |
| N | C21 | H7 | 111.4° | 109.4° |
| C14 | C15 | C16 | 112.5° | 120.2° |
| C14 | C15 | C20 | 124.6° | 120.2° |
| C21 | C22 | C23 | 116.2° | 109.5° |
| C22 | C21 | H6 | 111.4° | 109.4° |
| C22 | C21 | H7 | 111.4° | 109.4° |
| C21 | C22 | H8 | 107.7° | 109.5° |
| C21 | C22 | H9 | 107.8° | 109.5° |
| C22 | C23 | O1 | 126.2° | 120.0° |
| C22 | C23 | O2 | 117.9° | 120.0° |
| C23 | C22 | H8 | 107.8° | 109.5° |
| C23 | C22 | H9 | 107.7° | 109.4° |
| O1 | C23 | O2 | 115.0° | 119.9° |
| C23 | O2 | H13 | 109.5° | 117.0° |
| C16 | C15 | C20 | 122.9° | 119.7° |
| C15 | C16 | C17 | 120.0° | 119.9° |
| C15 | C16 | H14 | 120.0° | 120.0° |
| C15 | C20 | C19 | 117.8° | 119.8° |
| C15 | C20 | H18 | 121.1° | 120.1° |
| C16 | C17 | C18 | 118.6° | 120.2° |
| C17 | C16 | H14 | 120.0° | 120.1° |
| C16 | C17 | H15 | 120.7° | 119.9° |
| C20 | C19 | C18 | 120.7° | 120.1° |
| C20 | C19 | H17 | 119.6° | 119.9° |
| C19 | C20 | H18 | 121.1° | 120.1° |
| C17 | C18 | C19 | 119.9° | 120.3° |
| C18 | C17 | H15 | 120.7° | 119.9° |
| C17 | C18 | H16 | 120.0° | 119.9° |
| C19 | C18 | H16 | 120.1° | 119.8° |
| C18 | C19 | H17 | 119.7° | 120.0° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H11 | C25 | H12 | 109.4° | 115.5° |
| H22 | C26 | H23 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C26 | C24 | H22 | 108.9° | 107.6° |
| C25 | C26 | C24 | H23 | 108.9° | 107.5° |
| C26 | C25 | C24 | H11 | 109.9° | 107.6° |
| C26 | C25 | C24 | H12 | 109.8° | 107.5° |
| C25 | C26 | C24 | C10 | 80.6° | 107.5° |
| C25 | C26 | C24 | H10 | 114.7° | 107.5° |
| C26 | C25 | H11 | H12 | 143.9° | 145.7° |
| C25 | C26 | H22 | H23 | 145.9° | 145.7° |
| C26 | C24 | C10 | H10 | 164.8° | 145.7° |
| C26 | C24 | C10 | C11 | 6.1° | 8.8° |
| C26 | C24 | C10 | C9 | 173.7° | 171.3° |
| C24 | C26 | H22 | H23 | 145.8° | 145.6° |
| C25 | C24 | C10 | H10 | 135.9° | 145.7° |
| C25 | C24 | C10 | C11 | 65.4° | 59.9° |
| C25 | C24 | C10 | C9 | 114.4° | 120.1° |
| C24 | C25 | H11 | H12 | 144.0° | 145.7° |
| C24 | C10 | C11 | C9 | 179.8° | 180.0° |
| C24 | C10 | C11 | C12 | 179.7° | 179.8° |
| C24 | C10 | C9 | C8 | 178.1° | 180.0° |
| C24 | C10 | C11 | H4 | 0.3° | 0.3° |
| C10 | C24 | C25 | H11 | 137.5° | 0.0° |
| C10 | C24 | C25 | H12 | 2.8° | 145.0° |
| C24 | C10 | C9 | H20 | 1.9° | 0.0° |
| C10 | C24 | C26 | H22 | 28.3° | 144.9° |
| C10 | C24 | C26 | H23 | 170.5° | 0.0° |
| C10 | C11 | C12 | H4 | 180.0° | 179.5° |
| C11 | C10 | C9 | C8 | 2.0° | 0.0° |
| C10 | C11 | C12 | C13 | 0.8° | 0.5° |
| C11 | C10 | C24 | H10 | 158.7° | 154.4° |
| C11 | C10 | C9 | H20 | 178.0° | 180.0° |
| C10 | C11 | C12 | H21 | 179.2° | 180.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.3° |
| C10 | C9 | C8 | H20 | 180.0° | 180.0° |
| C10 | C9 | C8 | C13 | 4.0° | 0.0° |
| C10 | C9 | C8 | C7 | 179.2° | 179.7° |
| C9 | C10 | C11 | H4 | 179.5° | 179.8° |
| C9 | C10 | C24 | H10 | 21.5° | 25.6° |
| C11 | C12 | C13 | H21 | 180.0° | 179.6° |
| C11 | C12 | C13 | C8 | 2.6° | 0.4° |
| C11 | C12 | C13 | N | 180.0° | 179.5° |
| C9 | C8 | C13 | C12 | 4.4° | 0.2° |
| C9 | C8 | C13 | C7 | 176.3° | 179.8° |
| C9 | C8 | C13 | N | 177.6° | 179.8° |
| C9 | C8 | C7 | C4 | 4.3° | 0.3° |
| C9 | C8 | C7 | C14 | 176.0° | 179.7° |
| C12 | C13 | C8 | N | 178.0° | 179.9° |
| C12 | C13 | C8 | C7 | 179.3° | 179.9° |
| C12 | C13 | N | C14 | 179.5° | 179.9° |
| C12 | C13 | N | C21 | 4.6° | 0.1° |
| C13 | C12 | C11 | H4 | 179.2° | 180.0° |
| C13 | C8 | C7 | C4 | 180.0° | 180.0° |
| C13 | C8 | C7 | C14 | 0.3° | 0.0° |
| C8 | C13 | N | C14 | 1.9° | 0.0° |
| C8 | C13 | N | C21 | 173.0° | 180.0° |
| C13 | C8 | C9 | H20 | 176.1° | 180.0° |
| C8 | C13 | C12 | H21 | 177.4° | 180.0° |
| C8 | C7 | C4 | C3 | 48.0° | 113.0° |
| C7 | C8 | C13 | N | 1.3° | 0.0° |
| C8 | C7 | C4 | C14 | 179.6° | 180.0° |
| C8 | C7 | C4 | C5 | 137.0° | 67.0° |
| C8 | C7 | C14 | N | 0.8° | 0.0° |
| C8 | C7 | C14 | C15 | 178.8° | 179.9° |
| C7 | C8 | C9 | H20 | 0.9° | 0.3° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C2 | C3 | C4 | H19 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.6° | 0.0° |
| C2 | C3 | C4 | C7 | 178.6° | 180.0° |
| C2 | C3 | C4 | C5 | 3.5° | 0.0° |
| C3 | C2 | C1 | H5 | 179.5° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | C1 | C6 | H5 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 3.0° | 0.0° |
| C2 | C1 | C6 | H3 | 177.0° | 180.0° |
| C1 | C2 | C3 | H19 | 179.2° | 180.0° |
| C3 | C4 | C7 | C5 | 175.0° | 180.0° |
| C3 | C4 | C7 | C14 | 131.5° | 67.0° |
| C3 | C4 | C5 | C6 | 6.0° | 0.0° |
| C4 | C3 | C2 | H1 | 179.2° | 179.7° |
| C3 | C4 | C5 | H2 | 174.1° | 180.0° |
| C13 | N | C14 | C7 | 1.8° | 0.0° |
| C13 | N | C14 | C21 | 174.4° | 180.0° |
| C13 | N | C14 | C15 | 177.8° | 179.9° |
| C13 | N | C21 | C22 | 73.2° | 92.9° |
| C13 | N | C21 | H6 | 168.1° | 147.1° |
| C13 | N | C21 | H7 | 45.5° | 27.0° |
| N | C13 | C12 | H21 | 0.0° | 0.1° |
| C1 | C6 | C5 | C4 | 5.5° | 0.0° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C6 | C1 | C2 | H1 | 179.4° | 179.8° |
| C1 | C6 | C5 | H2 | 174.5° | 180.0° |
| C7 | C4 | C5 | C6 | 179.5° | 180.0° |
| C4 | C7 | C14 | N | 178.8° | 180.0° |
| C4 | C7 | C14 | C15 | 1.6° | 0.1° |
| C7 | C4 | C5 | H2 | 0.5° | 0.0° |
| C7 | C4 | C3 | H19 | 1.4° | 0.0° |
| C5 | C4 | C7 | C14 | 43.4° | 113.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | H3 | 174.4° | 179.9° |
| C5 | C4 | C3 | H19 | 176.5° | 180.0° |
| C7 | C14 | N | C15 | 179.6° | 179.9° |
| C7 | C14 | N | C21 | 172.6° | 180.0° |
| C7 | C14 | C15 | C16 | 117.7° | 55.0° |
| C7 | C14 | C15 | C20 | 63.3° | 125.3° |
| C5 | C6 | C1 | H5 | 177.0° | 180.0° |
| C14 | N | C21 | C22 | 100.7° | 87.1° |
| N | C14 | C15 | C16 | 61.9° | 125.1° |
| N | C14 | C15 | C20 | 117.1° | 54.6° |
| C14 | N | C21 | H6 | 18.0° | 32.9° |
| C14 | N | C21 | H7 | 140.6° | 153.0° |
| C21 | N | C14 | C15 | 7.8° | 0.1° |
| N | C21 | C22 | H6 | 118.7° | 120.0° |
| N | C21 | C22 | H7 | 118.7° | 119.9° |
| N | C21 | C22 | C23 | 62.5° | 179.7° |
| N | C21 | H6 | H7 | 123.7° | 120.0° |
| N | C21 | C22 | H8 | 176.5° | 59.7° |
| N | C21 | C22 | H9 | 58.5° | 60.3° |
| C14 | C15 | C16 | C20 | 179.0° | 179.7° |
| C14 | C15 | C16 | C17 | 179.7° | 180.0° |
| C14 | C15 | C20 | C19 | 179.9° | 179.8° |
| C14 | C15 | C16 | H14 | 0.3° | 0.1° |
| C14 | C15 | C20 | H18 | 0.1° | 0.0° |
| C21 | C22 | C23 | H8 | 121.0° | 120.0° |
| C21 | C22 | C23 | H9 | 121.0° | 120.0° |
| C21 | C22 | C23 | O1 | 93.5° | 0.0° |
| C21 | C22 | C23 | O2 | 75.1° | 180.0° |
| C22 | C21 | H6 | H7 | 123.7° | 120.0° |
| C21 | C22 | H8 | H9 | 117.0° | 120.0° |
| C22 | C23 | O1 | O2 | 168.9° | 180.0° |
| C23 | C22 | C21 | H6 | 56.2° | 59.7° |
| C23 | C22 | C21 | H7 | 178.8° | 60.3° |
| C23 | C22 | H8 | H9 | 116.9° | 120.0° |
| C22 | C23 | O2 | H13 | 169.9° | 179.9° |
| O1 | C23 | C22 | H8 | 145.5° | 120.0° |
| O1 | C23 | C22 | H9 | 27.4° | 120.0° |
| O1 | C23 | O2 | H13 | 0.0° | 0.0° |
| O2 | C23 | C22 | H8 | 45.8° | 60.0° |
| O2 | C23 | C22 | H9 | 163.9° | 60.0° |
| C15 | C16 | C17 | H14 | 180.0° | 179.9° |
| C16 | C15 | C20 | C19 | 1.0° | 0.5° |
| C15 | C16 | C17 | C18 | 2.4° | 0.0° |
| C15 | C16 | C17 | H15 | 177.5° | 180.0° |
| C16 | C15 | C20 | H18 | 179.0° | 179.7° |
| C20 | C15 | C16 | C17 | 0.7° | 0.3° |
| C15 | C20 | C19 | H18 | 180.0° | 179.8° |
| C15 | C20 | C19 | C18 | 3.1° | 0.5° |
| C20 | C15 | C16 | H14 | 179.4° | 179.8° |
| C15 | C20 | C19 | H17 | 176.9° | 179.7° |
| C16 | C17 | C18 | H15 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 4.5° | 0.0° |
| C16 | C17 | C18 | H16 | 175.4° | 180.0° |
| C20 | C19 | C18 | C17 | 5.0° | 0.3° |
| C20 | C19 | C18 | H17 | 180.0° | 179.8° |
| C20 | C19 | C18 | H16 | 175.0° | 179.8° |
| C17 | C18 | C19 | H16 | 180.0° | 179.9° |
| C18 | C17 | C16 | H14 | 177.6° | 180.0° |
| C17 | C18 | C19 | H17 | 175.0° | 180.0° |
| C19 | C18 | C17 | H15 | 175.4° | 180.0° |
| C18 | C19 | C20 | H18 | 176.9° | 179.7° |
| H1 | C2 | C1 | H5 | 0.6° | 0.3° |
| H1 | C2 | C3 | H19 | 0.8° | 0.2° |
| H2 | C5 | C6 | H3 | 5.5° | 0.0° |
| H3 | C6 | C1 | H5 | 3.0° | 0.1° |
| H4 | C11 | C12 | H21 | 0.8° | 0.5° |
| H6 | C21 | C22 | H8 | 64.8° | 60.3° |
| H6 | C21 | C22 | H9 | 177.2° | 179.6° |
| H7 | C21 | C22 | H8 | 57.8° | 179.6° |
| H7 | C21 | C22 | H9 | 60.2° | 59.6° |
| H10 | C24 | C25 | H11 | 2.6° | 145.0° |
| H10 | C24 | C25 | H12 | 137.6° | 0.0° |
| H10 | C24 | C26 | H22 | 136.4° | 0.0° |
| H10 | C24 | C26 | H23 | 5.7° | 145.0° |
| H11 | C25 | C26 | H22 | 141.2° | 145.0° |
| H11 | C25 | C26 | H23 | 1.0° | 0.0° |
| H12 | C25 | C26 | H22 | 1.0° | 0.0° |
| H12 | C25 | C26 | H23 | 141.2° | 145.0° |
| H14 | C16 | C17 | H15 | 2.4° | 0.1° |
| H15 | C17 | C18 | H16 | 4.6° | 0.1° |
| H16 | C18 | C19 | H17 | 5.0° | 0.0° |
| H17 | C19 | C20 | H18 | 3.1° | 0.1° |
