5C5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.37Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.37Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | C17 | doub | 1.33Å | 1.49Å | Aromatic |
| C11 | C10 | sing | 1.50Å | 1.52Å | |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | sing | 1.41Å | 1.40Å | Aromatic |
| C17 | C3 | sing | 1.48Å | 1.50Å | |
| C8 | C9 | doub | 1.42Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | C4 | sing | 1.33Å | 1.50Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.51Å | |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C18 | sing | 1.51Å | 1.50Å | |
| C3 | S | sing | 1.81Å | 1.82Å | |
| C6 | C5 | sing | 1.37Å | 1.40Å | Aromatic |
| C24 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| S | C2 | sing | 1.81Å | 1.75Å | |
| O2 | C | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | O1 | sing | 1.36Å | 1.36Å | |
| C | C1 | sing | 1.51Å | 1.49Å | |
| C | O | sing | 1.34Å | 1.32Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| O1 | C22 | sing | 1.43Å | 1.42Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å | |
| C7 | H22 | sing | 1.08Å | 1.08Å | |
| C6 | H23 | sing | 1.08Å | 1.08Å | |
| C5 | H24 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 120.8° | 119.0° |
| C14 | C13 | C12 | 121.1° | 122.1° |
| C13 | C14 | H17 | 119.6° | 120.5° |
| C14 | C13 | H18 | 119.4° | 118.9° |
| C14 | C15 | C16 | 120.6° | 118.7° |
| C14 | C15 | H16 | 119.7° | 120.7° |
| C15 | C14 | H17 | 119.6° | 120.5° |
| C13 | C12 | C11 | 115.6° | 109.5° |
| C13 | C12 | C17 | 118.3° | 118.6° |
| C12 | C13 | H18 | 119.5° | 119.0° |
| C15 | C16 | C17 | 121.3° | 121.7° |
| C15 | C16 | H15 | 119.3° | 119.2° |
| C16 | C15 | H16 | 119.7° | 120.6° |
| C11 | C12 | C17 | 125.9° | 131.8° |
| C12 | C11 | C10 | 119.1° | 115.0° |
| C12 | C11 | H19 | 107.0° | 108.3° |
| C12 | C11 | H5 | 107.0° | 108.4° |
| C12 | C17 | C16 | 117.8° | 119.7° |
| C12 | C17 | C3 | 123.2° | 128.0° |
| C11 | C10 | C9 | 117.1° | 114.9° |
| C10 | C11 | H19 | 107.0° | 108.4° |
| C11 | C10 | H20 | 107.5° | 108.5° |
| C10 | C11 | H5 | 107.0° | 108.4° |
| C11 | C10 | H25 | 107.5° | 108.4° |
| C10 | C9 | C8 | 115.4° | 109.5° |
| C10 | C9 | C4 | 124.0° | 132.0° |
| C9 | C10 | H20 | 107.5° | 108.4° |
| C9 | C10 | H25 | 107.5° | 108.4° |
| C16 | C17 | C3 | 118.8° | 112.3° |
| C17 | C16 | H15 | 119.3° | 119.1° |
| C17 | C3 | C4 | 100.9° | 125.0° |
| C17 | C3 | C18 | 118.6° | 106.3° |
| C17 | C3 | S | 109.1° | 106.3° |
| C9 | C8 | C7 | 119.9° | 122.0° |
| C8 | C9 | C4 | 120.5° | 118.5° |
| C9 | C8 | H21 | 120.1° | 119.0° |
| C8 | C7 | C6 | 120.7° | 119.1° |
| C7 | C8 | H21 | 120.1° | 119.0° |
| C8 | C7 | H22 | 119.6° | 120.4° |
| C9 | C4 | C3 | 122.8° | 127.9° |
| C9 | C4 | C5 | 116.8° | 119.9° |
| C7 | C6 | C5 | 122.0° | 118.7° |
| C6 | C7 | H22 | 119.7° | 120.5° |
| C7 | C6 | H23 | 119.0° | 120.6° |
| C3 | C4 | C5 | 120.3° | 112.3° |
| C4 | C3 | C18 | 113.3° | 106.3° |
| C4 | C3 | S | 114.5° | 106.2° |
| C4 | C5 | C6 | 120.2° | 121.6° |
| C4 | C5 | H24 | 119.9° | 119.2° |
| C18 | C3 | S | 101.0° | 105.4° |
| C3 | C18 | C24 | 121.6° | 119.9° |
| C3 | C18 | C19 | 118.8° | 119.9° |
| C3 | S | C2 | 111.6° | 103.0° |
| C5 | C6 | H23 | 119.0° | 120.6° |
| C6 | C5 | H24 | 119.9° | 119.2° |
| C18 | C24 | C23 | 119.7° | 120.0° |
| C24 | C18 | C19 | 119.3° | 120.1° |
| C18 | C24 | H8 | 120.1° | 120.0° |
| C24 | C23 | C21 | 121.2° | 120.0° |
| C23 | C24 | H8 | 120.2° | 119.9° |
| C24 | C23 | H9 | 119.4° | 120.0° |
| C18 | C19 | C20 | 120.6° | 120.0° |
| C18 | C19 | H14 | 119.7° | 120.0° |
| C23 | C21 | C20 | 120.0° | 119.9° |
| C23 | C21 | O1 | 121.7° | 120.1° |
| C21 | C23 | H9 | 119.4° | 120.1° |
| S | C2 | C1 | 109.3° | 109.5° |
| S | C2 | H6 | 109.5° | 109.5° |
| S | C2 | H7 | 109.5° | 109.4° |
| O2 | C | C1 | 120.5° | 120.0° |
| O2 | C | O | 119.5° | 120.0° |
| C2 | C1 | C | 106.4° | 109.5° |
| C2 | C1 | N | 109.7° | 109.5° |
| C2 | C1 | H2 | 109.7° | 109.5° |
| C1 | C2 | H6 | 109.5° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C19 | C20 | C21 | 119.1° | 120.0° |
| C19 | C20 | H13 | 120.5° | 120.0° |
| C20 | C19 | H14 | 119.7° | 120.0° |
| C20 | C21 | O1 | 118.3° | 120.1° |
| C21 | C20 | H13 | 120.4° | 120.0° |
| C21 | O1 | C22 | 123.0° | 117.0° |
| C1 | C | O | 120.1° | 120.0° |
| C | C1 | N | 111.0° | 109.5° |
| C | C1 | H2 | 109.8° | 109.4° |
| C | O | H1 | 109.5° | 117.0° |
| N | C1 | H2 | 110.2° | 109.4° |
| C1 | N | H3 | 109.5° | 110.9° |
| C1 | N | H4 | 109.5° | 111.0° |
| O1 | C22 | H10 | 109.5° | 109.5° |
| O1 | C22 | H11 | 109.5° | 109.5° |
| O1 | C22 | H12 | 109.4° | 109.5° |
| H3 | N | H4 | 109.5° | 111.0° |
| H6 | C2 | H7 | 109.5° | 109.4° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H10 | C22 | H12 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.5° | 109.4° |
| H19 | C11 | H5 | 109.4° | 108.1° |
| H20 | C10 | H25 | 109.5° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H17 | 180.0° | 180.0° |
| C14 | C13 | C12 | H18 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.5° | 1.9° |
| C14 | C13 | C12 | C11 | 177.7° | 175.7° |
| C14 | C13 | C12 | C17 | 1.6° | 1.7° |
| C13 | C14 | C15 | H16 | 179.4° | 178.0° |
| C15 | C14 | C13 | C12 | 0.1° | 1.1° |
| C14 | C15 | C16 | H16 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.1° |
| C14 | C15 | C16 | H15 | 179.7° | 180.0° |
| C15 | C14 | C13 | H18 | 179.8° | 178.8° |
| C13 | C12 | C11 | C17 | 175.8° | 176.9° |
| C13 | C12 | C11 | C10 | 141.1° | 137.5° |
| C13 | C12 | C17 | C16 | 2.3° | 3.6° |
| C13 | C12 | C17 | C3 | 177.7° | 175.0° |
| C12 | C13 | C14 | H17 | 179.9° | 178.9° |
| C13 | C12 | C11 | H19 | 97.5° | 101.1° |
| C13 | C12 | C11 | H5 | 19.8° | 16.0° |
| C15 | C16 | C17 | C12 | 1.7° | 2.8° |
| C15 | C16 | C17 | H15 | 180.0° | 180.0° |
| C15 | C16 | C17 | C3 | 177.3° | 176.0° |
| C16 | C15 | C14 | H17 | 179.5° | 178.1° |
| C12 | C11 | C10 | H19 | 121.4° | 121.4° |
| C12 | C11 | C10 | H5 | 121.4° | 121.5° |
| C12 | C11 | C10 | C9 | 8.6° | 61.8° |
| C11 | C12 | C17 | C16 | 178.0° | 173.1° |
| C11 | C12 | C17 | C3 | 6.6° | 8.3° |
| C11 | C12 | C13 | H18 | 2.3° | 4.2° |
| C12 | C11 | H19 | H5 | 115.7° | 117.3° |
| C12 | C11 | C10 | H20 | 112.5° | 176.7° |
| C12 | C11 | C10 | H25 | 129.7° | 59.6° |
| C17 | C12 | C11 | C10 | 43.1° | 45.6° |
| C12 | C17 | C16 | C3 | 175.6° | 178.8° |
| C12 | C17 | C3 | C4 | 64.8° | 4.8° |
| C12 | C17 | C3 | C18 | 59.6° | 119.2° |
| C12 | C17 | C3 | S | 174.3° | 128.8° |
| C12 | C17 | C16 | H15 | 178.2° | 177.2° |
| C17 | C12 | C13 | H18 | 178.4° | 178.4° |
| C17 | C12 | C11 | H19 | 78.3° | 75.8° |
| C17 | C12 | C11 | H5 | 164.5° | 167.1° |
| C11 | C10 | C9 | H20 | 121.1° | 121.5° |
| C11 | C10 | C9 | H25 | 121.1° | 121.3° |
| C11 | C10 | C9 | C8 | 129.7° | 134.8° |
| C11 | C10 | C9 | C4 | 53.0° | 45.7° |
| C10 | C11 | H19 | H5 | 115.6° | 117.4° |
| C11 | C10 | H20 | H25 | 116.6° | 117.3° |
| C10 | C9 | C8 | C4 | 177.4° | 179.5° |
| C10 | C9 | C8 | C7 | 178.4° | 176.5° |
| C10 | C9 | C4 | C3 | 4.1° | 8.4° |
| C10 | C9 | C4 | C5 | 179.2° | 174.0° |
| C9 | C10 | C11 | H19 | 130.0° | 59.6° |
| C9 | C10 | H20 | H25 | 116.5° | 117.3° |
| C10 | C9 | C8 | H21 | 1.6° | 3.6° |
| C9 | C10 | C11 | H5 | 112.8° | 176.8° |
| C16 | C17 | C3 | C4 | 110.6° | 173.9° |
| C16 | C17 | C3 | C18 | 125.1° | 62.1° |
| C16 | C17 | C3 | S | 10.3° | 49.9° |
| C17 | C16 | C15 | H16 | 179.7° | 179.9° |
| C17 | C3 | C4 | C9 | 68.6° | 4.9° |
| C17 | C3 | C4 | C18 | 127.9° | 124.0° |
| C17 | C3 | C4 | S | 117.0° | 124.0° |
| C17 | C3 | C4 | C5 | 107.9° | 172.9° |
| C17 | C3 | C18 | S | 119.1° | 112.6° |
| C17 | C3 | C18 | C24 | 24.8° | 95.4° |
| C17 | C3 | C18 | C19 | 161.7° | 84.3° |
| C17 | C3 | S | C2 | 80.8° | 72.6° |
| C3 | C17 | C16 | H15 | 2.6° | 4.0° |
| C9 | C8 | C7 | H21 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.1° | 0.8° |
| C8 | C9 | C4 | C3 | 178.7° | 172.2° |
| C8 | C9 | C4 | C5 | 2.1° | 5.4° |
| C8 | C9 | C10 | H20 | 109.2° | 13.3° |
| C9 | C8 | C7 | H22 | 179.9° | 179.2° |
| C8 | C9 | C10 | H25 | 8.6° | 103.8° |
| C7 | C8 | C9 | C4 | 1.0° | 3.0° |
| C8 | C7 | C6 | H22 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.0° | 2.1° |
| C8 | C7 | C6 | H23 | 179.9° | 178.1° |
| C9 | C4 | C3 | C5 | 176.5° | 177.7° |
| C9 | C4 | C3 | C18 | 59.3° | 128.9° |
| C9 | C4 | C3 | S | 174.4° | 119.2° |
| C9 | C4 | C5 | C6 | 2.1° | 4.2° |
| C4 | C9 | C10 | H20 | 68.1° | 167.2° |
| C4 | C9 | C8 | H21 | 179.0° | 176.9° |
| C9 | C4 | C5 | H24 | 177.8° | 175.7° |
| C4 | C9 | C10 | H25 | 174.1° | 75.6° |
| C7 | C6 | C5 | C4 | 1.2° | 0.3° |
| C7 | C6 | C5 | H23 | 180.0° | 179.9° |
| C6 | C7 | C8 | H21 | 179.9° | 179.3° |
| C7 | C6 | C5 | H24 | 178.8° | 179.6° |
| C4 | C3 | C18 | S | 123.0° | 112.5° |
| C3 | C4 | C5 | C6 | 178.8° | 173.7° |
| C4 | C3 | C18 | C24 | 142.8° | 129.6° |
| C4 | C3 | C18 | C19 | 43.8° | 50.6° |
| C4 | C3 | S | C2 | 167.1° | 62.3° |
| C3 | C4 | C5 | H24 | 1.1° | 6.4° |
| C5 | C4 | C3 | C18 | 124.2° | 48.8° |
| C5 | C4 | C3 | S | 9.1° | 63.1° |
| C4 | C5 | C6 | H24 | 180.0° | 179.9° |
| C4 | C5 | C6 | H23 | 178.9° | 179.5° |
| C3 | C18 | C24 | C19 | 173.4° | 179.8° |
| C3 | C18 | C24 | C23 | 176.0° | 180.0° |
| C18 | C3 | S | C2 | 45.0° | 174.9° |
| C3 | C18 | C19 | C20 | 175.6° | 179.8° |
| C3 | C18 | C24 | H8 | 4.1° | 0.0° |
| C3 | C18 | C19 | H14 | 4.5° | 0.0° |
| S | C3 | C18 | C24 | 94.2° | 17.1° |
| S | C3 | C18 | C19 | 79.2° | 163.1° |
| C3 | S | C2 | C1 | 173.5° | 176.3° |
| C3 | S | C2 | H6 | 53.5° | 56.2° |
| C3 | S | C2 | H7 | 66.6° | 63.7° |
| C5 | C6 | C7 | H22 | 180.0° | 178.0° |
| C18 | C24 | C23 | H8 | 180.0° | 180.0° |
| C18 | C24 | C23 | C21 | 2.2° | 0.1° |
| C24 | C18 | C19 | C20 | 2.0° | 0.5° |
| C18 | C24 | C23 | H9 | 177.8° | 180.0° |
| C24 | C18 | C19 | H14 | 178.0° | 179.8° |
| C23 | C24 | C18 | C19 | 2.6° | 0.3° |
| C24 | C23 | C21 | H9 | 180.0° | 179.9° |
| C24 | C23 | C21 | C20 | 1.2° | 0.1° |
| C24 | C23 | C21 | O1 | 179.6° | 180.0° |
| C18 | C19 | C20 | H14 | 180.0° | 179.8° |
| C18 | C19 | C20 | C21 | 1.0° | 0.5° |
| C19 | C18 | C24 | H8 | 177.5° | 179.8° |
| C18 | C19 | C20 | H13 | 179.0° | 179.7° |
| C23 | C21 | C20 | C19 | 0.6° | 0.3° |
| C23 | C21 | C20 | O1 | 178.4° | 179.9° |
| C23 | C21 | O1 | C22 | 31.6° | 180.0° |
| C21 | C23 | C24 | H8 | 177.8° | 180.0° |
| C23 | C21 | C20 | H13 | 179.4° | 179.9° |
| S | C2 | C1 | H6 | 120.0° | 120.1° |
| S | C2 | C1 | H7 | 120.0° | 120.0° |
| S | C2 | C1 | C | 156.1° | 179.9° |
| S | C2 | C1 | N | 83.7° | 60.0° |
| S | C2 | C1 | H2 | 37.5° | 60.0° |
| S | C2 | H6 | H7 | 120.0° | 119.9° |
| O2 | C | C1 | C2 | 65.1° | 100.0° |
| O2 | C | C1 | O | 179.8° | 179.8° |
| O2 | C | C1 | N | 175.6° | 20.1° |
| O2 | C | O | H1 | 0.0° | 0.1° |
| O2 | C | C1 | H2 | 53.5° | 140.0° |
| C2 | C1 | C | N | 119.3° | 120.1° |
| C2 | C1 | C | H2 | 118.6° | 120.0° |
| C2 | C1 | C | O | 114.7° | 80.2° |
| C2 | C1 | N | H2 | 120.9° | 120.0° |
| C2 | C1 | N | H3 | 180.0° | 60.0° |
| C2 | C1 | N | H4 | 60.0° | 63.9° |
| C1 | C2 | H6 | H7 | 120.1° | 120.0° |
| C19 | C20 | C21 | H13 | 180.0° | 179.8° |
| C19 | C20 | C21 | O1 | 179.0° | 179.8° |
| C20 | C21 | O1 | C22 | 150.0° | 0.0° |
| C20 | C21 | C23 | H9 | 178.8° | 180.0° |
| C21 | C20 | C19 | H14 | 179.0° | 179.8° |
| O1 | C21 | C23 | H9 | 0.4° | 0.1° |
| C21 | O1 | C22 | H10 | 180.0° | 60.0° |
| C21 | O1 | C22 | H11 | 60.0° | 60.1° |
| C21 | O1 | C22 | H12 | 60.0° | 180.0° |
| O1 | C21 | C20 | H13 | 1.0° | 0.0° |
| C | C1 | N | H2 | 121.8° | 119.9° |
| C1 | C | O | H1 | 179.8° | 179.7° |
| C | C1 | N | H3 | 62.7° | 60.0° |
| C | C1 | N | H4 | 57.4° | 176.0° |
| C | C1 | C2 | H6 | 36.2° | 60.0° |
| C | C1 | C2 | H7 | 83.9° | 60.0° |
| O | C | C1 | N | 4.6° | 159.7° |
| O | C | C1 | H2 | 126.7° | 39.8° |
| C1 | N | H3 | H4 | 120.0° | 124.0° |
| N | C1 | C2 | H6 | 156.3° | 60.1° |
| N | C1 | C2 | H7 | 36.2° | 180.0° |
| O1 | C22 | H10 | H11 | 120.0° | 120.0° |
| O1 | C22 | H10 | H12 | 120.0° | 120.0° |
| O1 | C22 | H11 | H12 | 120.0° | 120.0° |
| H2 | C1 | N | H3 | 59.1° | 180.0° |
| H2 | C1 | N | H4 | 179.1° | 56.1° |
| H2 | C1 | C2 | H6 | 82.5° | 180.0° |
| H2 | C1 | C2 | H7 | 157.4° | 60.0° |
| H8 | C24 | C23 | H9 | 2.2° | 0.0° |
| H10 | C22 | H11 | H12 | 120.0° | 120.0° |
| H13 | C20 | C19 | H14 | 1.0° | 0.0° |
| H15 | C16 | C15 | H16 | 0.3° | 0.1° |
| H16 | C15 | C14 | H17 | 0.6° | 1.9° |
| H17 | C14 | C13 | H18 | 0.2° | 1.2° |
| H19 | C11 | C10 | H20 | 8.9° | 61.9° |
| H19 | C11 | C10 | H25 | 108.9° | 179.0° |
| H20 | C10 | C11 | H5 | 126.2° | 55.3° |
| H21 | C8 | C7 | H22 | 0.0° | 0.7° |
| H22 | C7 | C6 | H23 | 0.0° | 1.9° |
| H23 | C6 | C5 | H24 | 1.2° | 0.5° |
| H5 | C11 | C10 | H25 | 8.3° | 61.9° |
