H8X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| O01 | C02 | sing | 1.43Å | 1.41Å | |
| O13 | S11 | doub | 1.42Å | 1.42Å | |
| C28 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.56Å | |
| C03 | N04 | sing | 1.47Å | 1.49Å | |
| O14 | S11 | doub | 1.42Å | 1.43Å | |
| C02 | C15 | sing | 1.53Å | 1.63Å | |
| C24 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | N16 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.47Å | 1.44Å | Aromatic |
| S11 | N04 | sing | 1.66Å | 1.70Å | |
| S11 | C12 | sing | 1.81Å | 1.68Å | |
| C09 | O10 | sing | 1.34Å | 1.37Å | Aromatic |
| C09 | C08 | doub | 1.35Å | 1.37Å | Aromatic |
| O10 | C06 | sing | 1.34Å | 1.37Å | Aromatic |
| N04 | C05 | sing | 1.46Å | 1.45Å | |
| N16 | C15 | sing | 1.46Å | 1.43Å | |
| N16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C22 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.41Å | 1.45Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.34Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.47Å | |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| O01 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 120.6° | 120.3° |
| C27 | C26 | C25 | 121.6° | 120.5° |
| C27 | C26 | H5 | 119.2° | 119.7° |
| C26 | C27 | H21 | 119.7° | 119.8° |
| C27 | C28 | C23 | 118.6° | 119.8° |
| C27 | C28 | H6 | 120.7° | 120.1° |
| C28 | C27 | H21 | 119.7° | 119.9° |
| C26 | C25 | C24 | 116.9° | 120.0° |
| C25 | C26 | H5 | 119.2° | 119.7° |
| C26 | C25 | H20 | 121.5° | 120.0° |
| O01 | C02 | C03 | 108.0° | 109.5° |
| O01 | C02 | C15 | 107.2° | 109.5° |
| O01 | C02 | H7 | 108.7° | 109.5° |
| C02 | O01 | H22 | 109.5° | 114.0° |
| O13 | S11 | O14 | 116.1° | 121.0° |
| O13 | S11 | N04 | 108.4° | 104.3° |
| O13 | S11 | C12 | 111.8° | 110.5° |
| C28 | C23 | C24 | 119.5° | 120.0° |
| C28 | C23 | C22 | 133.8° | 133.5° |
| C23 | C28 | H6 | 120.7° | 120.1° |
| C25 | C24 | C23 | 122.8° | 119.3° |
| C25 | C24 | N16 | 127.8° | 132.3° |
| C24 | C25 | H20 | 121.6° | 120.0° |
| C02 | C03 | N04 | 118.6° | 109.4° |
| C03 | C02 | C15 | 119.8° | 109.4° |
| C03 | C02 | H7 | 106.8° | 109.5° |
| C02 | C03 | H8 | 107.1° | 109.5° |
| C02 | C03 | H9 | 107.2° | 109.5° |
| C03 | N04 | S11 | 123.7° | 120.0° |
| C03 | N04 | C05 | 111.5° | 120.0° |
| N04 | C03 | H8 | 107.2° | 109.5° |
| N04 | C03 | H9 | 107.1° | 109.4° |
| O14 | S11 | N04 | 110.0° | 104.3° |
| O14 | S11 | C12 | 106.8° | 110.6° |
| C02 | C15 | N16 | 106.8° | 109.4° |
| C02 | C15 | H1 | 110.1° | 109.4° |
| C02 | C15 | H2 | 110.1° | 109.5° |
| C15 | C02 | H7 | 106.1° | 109.5° |
| C23 | C24 | N16 | 109.4° | 108.4° |
| C24 | C23 | C22 | 106.7° | 106.5° |
| C24 | N16 | C15 | 126.1° | 124.9° |
| C24 | N16 | C17 | 107.3° | 110.3° |
| C23 | C22 | C21 | 133.2° | 133.5° |
| C23 | C22 | C17 | 107.3° | 106.5° |
| N04 | S11 | C12 | 103.0° | 104.4° |
| S11 | N04 | C05 | 124.6° | 120.0° |
| S11 | C12 | H15 | 109.5° | 109.5° |
| S11 | C12 | H16 | 109.5° | 109.5° |
| S11 | C12 | H17 | 109.5° | 109.5° |
| O10 | C09 | C08 | 109.9° | 108.4° |
| C09 | O10 | C06 | 107.6° | 109.5° |
| O10 | C09 | H14 | 125.0° | 125.8° |
| C09 | C08 | C07 | 106.9° | 106.9° |
| C09 | C08 | H13 | 126.5° | 126.6° |
| C08 | C09 | H14 | 125.1° | 125.8° |
| O10 | C06 | C07 | 110.0° | 108.4° |
| O10 | C06 | C05 | 118.5° | 125.8° |
| N04 | C05 | C06 | 110.2° | 109.5° |
| N04 | C05 | H10 | 109.3° | 109.5° |
| N04 | C05 | H11 | 109.3° | 109.5° |
| C15 | N16 | C17 | 126.4° | 124.8° |
| N16 | C15 | H1 | 110.1° | 109.5° |
| N16 | C15 | H2 | 110.2° | 109.5° |
| N16 | C17 | C22 | 109.3° | 108.4° |
| N16 | C17 | C18 | 128.2° | 132.3° |
| C21 | C22 | C17 | 119.5° | 120.1° |
| C22 | C21 | C20 | 118.9° | 119.8° |
| C22 | C21 | H4 | 120.5° | 120.1° |
| C22 | C17 | C18 | 122.6° | 119.3° |
| C08 | C07 | C06 | 105.6° | 106.8° |
| C08 | C07 | H12 | 127.2° | 126.6° |
| C07 | C08 | H13 | 126.6° | 126.6° |
| C21 | C20 | C19 | 121.0° | 120.2° |
| C21 | C20 | H3 | 119.5° | 119.9° |
| C20 | C21 | H4 | 120.6° | 120.1° |
| C17 | C18 | C19 | 117.1° | 120.0° |
| C17 | C18 | H18 | 121.5° | 120.0° |
| C07 | C06 | C05 | 131.4° | 125.8° |
| C06 | C07 | H12 | 127.2° | 126.5° |
| C06 | C05 | H10 | 109.3° | 109.5° |
| C06 | C05 | H11 | 109.3° | 109.5° |
| C20 | C19 | C18 | 120.9° | 120.6° |
| C19 | C20 | H3 | 119.5° | 119.8° |
| C20 | C19 | H19 | 119.5° | 119.7° |
| C19 | C18 | H18 | 121.4° | 120.0° |
| C18 | C19 | H19 | 119.6° | 119.8° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H8 | C03 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.4° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H21 | 180.0° | 179.9° |
| C27 | C26 | C25 | H5 | 180.0° | 180.0° |
| C26 | C27 | C28 | C23 | 0.6° | 0.1° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C26 | C27 | C28 | H6 | 179.4° | 180.0° |
| C27 | C26 | C25 | H20 | 179.9° | 180.0° |
| C28 | C27 | C26 | C25 | 0.3° | 0.1° |
| C27 | C28 | C23 | H6 | 180.0° | 179.9° |
| C27 | C28 | C23 | C24 | 0.6° | 0.0° |
| C27 | C28 | C23 | C22 | 179.5° | 179.7° |
| C28 | C27 | C26 | H5 | 179.7° | 179.9° |
| C26 | C25 | C24 | H20 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.1° |
| C26 | C25 | C24 | N16 | 178.9° | 180.0° |
| C25 | C26 | C27 | H21 | 179.7° | 180.0° |
| O01 | C02 | C03 | C15 | 122.9° | 120.0° |
| O01 | C02 | C03 | H7 | 116.7° | 120.0° |
| O01 | C02 | C03 | N04 | 135.4° | 60.0° |
| O01 | C02 | C15 | H7 | 116.0° | 120.0° |
| O01 | C02 | C15 | N16 | 54.2° | 65.0° |
| O01 | C02 | C15 | H1 | 173.8° | 175.0° |
| O01 | C02 | C15 | H2 | 65.4° | 55.0° |
| O01 | C02 | C03 | H8 | 14.1° | 60.0° |
| O01 | C02 | C03 | H9 | 103.3° | 180.0° |
| O13 | S11 | N04 | C03 | 68.1° | 150.0° |
| O13 | S11 | O14 | N04 | 123.6° | 116.7° |
| O13 | S11 | O14 | C12 | 125.4° | 131.5° |
| O13 | S11 | N04 | C12 | 118.5° | 116.1° |
| O13 | S11 | N04 | C05 | 107.6° | 30.0° |
| O13 | S11 | C12 | H15 | 180.0° | 60.0° |
| O13 | S11 | C12 | H16 | 60.0° | 180.0° |
| O13 | S11 | C12 | H17 | 60.0° | 60.0° |
| C28 | C23 | C24 | C25 | 0.4° | 0.1° |
| C28 | C23 | C24 | C22 | 179.9° | 179.8° |
| C28 | C23 | C24 | N16 | 178.8° | 180.0° |
| C28 | C23 | C22 | C21 | 0.3° | 0.3° |
| C28 | C23 | C22 | C17 | 179.6° | 179.7° |
| C23 | C28 | C27 | H21 | 179.4° | 180.0° |
| C25 | C24 | C23 | N16 | 179.2° | 179.9° |
| C25 | C24 | C23 | C22 | 179.7° | 179.8° |
| C25 | C24 | N16 | C15 | 3.9° | 0.1° |
| C25 | C24 | N16 | C17 | 179.3° | 179.7° |
| C24 | C25 | C26 | H5 | 179.9° | 180.0° |
| C02 | C03 | N04 | H8 | 121.3° | 120.0° |
| C02 | C03 | N04 | H9 | 121.3° | 120.0° |
| C03 | C02 | C15 | H7 | 120.7° | 120.0° |
| C02 | C03 | N04 | S11 | 74.7° | 95.0° |
| C02 | C03 | N04 | C05 | 109.1° | 85.0° |
| C03 | C02 | C15 | N16 | 177.5° | 175.0° |
| C03 | C02 | C15 | H1 | 62.9° | 55.0° |
| C03 | C02 | C15 | H2 | 57.9° | 65.0° |
| C02 | C03 | H8 | H9 | 115.9° | 120.0° |
| C03 | C02 | O01 | H22 | 180.0° | 59.9° |
| C03 | N04 | S11 | O14 | 59.9° | 22.1° |
| N04 | C03 | C02 | C15 | 101.7° | 180.0° |
| C03 | N04 | S11 | C05 | 175.7° | 180.0° |
| C03 | N04 | S11 | C12 | 173.4° | 94.0° |
| C03 | N04 | C05 | C06 | 63.5° | 85.0° |
| N04 | C03 | C02 | H7 | 18.8° | 60.0° |
| N04 | C03 | H8 | H9 | 115.9° | 120.0° |
| C03 | N04 | C05 | H10 | 56.5° | 35.0° |
| C03 | N04 | C05 | H11 | 176.3° | 155.0° |
| O14 | S11 | N04 | C12 | 113.5° | 116.1° |
| O14 | S11 | N04 | C05 | 124.5° | 157.8° |
| O14 | S11 | C12 | H15 | 52.0° | 163.2° |
| O14 | S11 | C12 | H16 | 68.0° | 43.2° |
| O14 | S11 | C12 | H17 | 172.0° | 76.7° |
| C02 | C15 | N16 | C24 | 97.4° | 90.1° |
| C02 | C15 | N16 | H1 | 119.6° | 120.0° |
| C02 | C15 | N16 | H2 | 119.6° | 120.0° |
| C02 | C15 | N16 | C17 | 77.2° | 90.4° |
| C02 | C15 | H1 | H2 | 121.2° | 120.0° |
| C15 | C02 | C03 | H8 | 137.0° | 60.0° |
| C15 | C02 | C03 | H9 | 19.6° | 60.0° |
| C15 | C02 | O01 | H22 | 49.7° | 60.0° |
| C23 | C24 | N16 | C15 | 176.9° | 180.0° |
| C23 | C24 | N16 | C17 | 1.5° | 0.4° |
| C24 | C23 | C22 | C21 | 179.8° | 180.0° |
| C24 | C23 | C22 | C17 | 0.3° | 0.0° |
| C24 | C23 | C28 | H6 | 179.4° | 179.9° |
| C23 | C24 | C25 | H20 | 179.9° | 180.0° |
| N16 | C24 | C23 | C22 | 1.1° | 0.3° |
| C24 | N16 | C15 | C17 | 174.5° | 179.6° |
| C24 | N16 | C17 | C22 | 1.3° | 0.4° |
| C24 | N16 | C17 | C18 | 179.4° | 179.8° |
| C24 | N16 | C15 | H1 | 143.1° | 29.9° |
| C24 | N16 | C15 | H2 | 22.2° | 150.0° |
| N16 | C24 | C25 | H20 | 1.0° | 0.1° |
| C23 | C22 | C17 | N16 | 0.6° | 0.2° |
| C23 | C22 | C21 | C17 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 179.1° | 180.0° |
| C23 | C22 | C17 | C18 | 179.9° | 180.0° |
| C23 | C22 | C21 | H4 | 0.9° | 0.0° |
| C22 | C23 | C28 | H6 | 0.5° | 0.2° |
| S11 | N04 | C05 | C06 | 112.6° | 95.0° |
| S11 | N04 | C03 | H8 | 46.6° | 145.0° |
| S11 | N04 | C03 | H9 | 164.0° | 25.0° |
| S11 | N04 | C05 | H10 | 127.3° | 145.0° |
| S11 | N04 | C05 | H11 | 7.6° | 25.0° |
| N04 | S11 | C12 | H15 | 63.8° | 51.6° |
| N04 | S11 | C12 | H16 | 176.2° | 68.4° |
| N04 | S11 | C12 | H17 | 56.2° | 171.6° |
| C12 | S11 | N04 | C05 | 10.9° | 86.1° |
| S11 | C12 | H15 | H16 | 120.0° | 120.0° |
| S11 | C12 | H15 | H17 | 120.0° | 120.0° |
| S11 | C12 | H16 | H17 | 120.0° | 120.0° |
| O10 | C09 | C08 | H14 | 180.0° | 179.6° |
| O10 | C09 | C08 | C07 | 0.2° | 0.2° |
| C09 | O10 | C06 | C07 | 1.5° | 0.4° |
| C09 | O10 | C06 | C05 | 178.7° | 179.8° |
| O10 | C09 | C08 | H13 | 179.8° | 179.8° |
| C08 | C09 | O10 | C06 | 1.1° | 0.4° |
| C09 | C08 | C07 | H13 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.7° | 0.0° |
| C09 | C08 | C07 | H12 | 179.3° | 180.0° |
| O10 | C06 | C05 | N04 | 63.6° | 90.3° |
| O10 | C06 | C07 | C08 | 1.4° | 0.3° |
| O10 | C06 | C07 | C05 | 176.6° | 179.8° |
| O10 | C06 | C05 | H10 | 176.2° | 29.7° |
| O10 | C06 | C05 | H11 | 56.5° | 149.7° |
| O10 | C06 | C07 | H12 | 178.6° | 179.7° |
| C06 | O10 | C09 | H14 | 178.9° | 180.0° |
| N04 | C05 | C06 | C07 | 112.8° | 90.0° |
| N04 | C05 | C06 | H10 | 120.1° | 120.0° |
| N04 | C05 | C06 | H11 | 120.1° | 120.0° |
| C05 | N04 | C03 | H8 | 129.6° | 35.0° |
| C05 | N04 | C03 | H9 | 12.2° | 155.0° |
| N04 | C05 | H10 | H11 | 119.7° | 120.0° |
| C15 | N16 | C17 | C22 | 176.6° | 180.0° |
| C15 | N16 | C17 | C18 | 4.0° | 0.2° |
| N16 | C15 | H1 | H2 | 121.3° | 120.0° |
| N16 | C15 | C02 | H7 | 61.7° | 55.0° |
| N16 | C17 | C22 | C21 | 179.3° | 179.8° |
| N16 | C17 | C22 | C18 | 179.4° | 179.8° |
| N16 | C17 | C18 | C19 | 178.6° | 179.7° |
| C17 | N16 | C15 | H1 | 42.4° | 149.6° |
| C17 | N16 | C15 | H2 | 163.2° | 29.6° |
| N16 | C17 | C18 | H18 | 1.4° | 0.2° |
| C22 | C21 | C20 | H4 | 180.0° | 180.0° |
| C21 | C22 | C17 | C18 | 0.0° | 0.0° |
| C22 | C21 | C20 | C19 | 1.0° | 0.0° |
| C22 | C21 | C20 | H3 | 179.0° | 180.0° |
| C17 | C22 | C21 | C20 | 0.8° | 0.0° |
| C22 | C17 | C18 | C19 | 0.6° | 0.1° |
| C17 | C22 | C21 | H4 | 179.2° | 180.0° |
| C22 | C17 | C18 | H18 | 179.3° | 180.0° |
| C08 | C07 | C06 | H12 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 178.0° | 180.0° |
| C07 | C08 | C09 | H14 | 179.8° | 179.9° |
| C21 | C20 | C19 | H3 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.4° | 0.0° |
| C21 | C20 | C19 | H19 | 179.6° | 180.0° |
| C17 | C18 | C19 | C20 | 0.5° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | H19 | 179.6° | 180.0° |
| C07 | C06 | C05 | H10 | 7.4° | 150.0° |
| C07 | C06 | C05 | H11 | 127.1° | 30.1° |
| C06 | C07 | C08 | H13 | 179.3° | 180.0° |
| C06 | C05 | H10 | H11 | 119.7° | 120.0° |
| C05 | C06 | C07 | H12 | 2.0° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C20 | C21 | H4 | 179.0° | 180.0° |
| C20 | C19 | C18 | H18 | 179.5° | 180.0° |
| C18 | C19 | C20 | H3 | 179.7° | 179.9° |
| H1 | C15 | C02 | H7 | 57.8° | 65.0° |
| H2 | C15 | C02 | H7 | 178.7° | 175.0° |
| H3 | C20 | C21 | H4 | 1.0° | 0.0° |
| H3 | C20 | C19 | H19 | 0.4° | 0.0° |
| H5 | C26 | C25 | H20 | 0.1° | 0.0° |
| H5 | C26 | C27 | H21 | 0.3° | 0.1° |
| H6 | C28 | C27 | H21 | 0.6° | 0.1° |
| H7 | C02 | C03 | H8 | 102.5° | 180.0° |
| H7 | C02 | C03 | H9 | 140.0° | 59.9° |
| H7 | C02 | O01 | H22 | 64.6° | 180.0° |
| H12 | C07 | C08 | H13 | 0.7° | 0.0° |
| H13 | C08 | C09 | H14 | 0.2° | 0.1° |
| H15 | C12 | H16 | H17 | 120.0° | 120.0° |
| H18 | C18 | C19 | H19 | 0.5° | 0.0° |
