H5X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | O04 | sing | 1.45Å | 1.44Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C22 | C18 | doub | 1.32Å | 1.52Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C24 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.36Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| O07 | S01 | doub | 1.42Å | 1.51Å | |
| O04 | C13 | sing | 1.35Å | 1.45Å | |
| C08 | S01 | sing | 1.76Å | 1.80Å | |
| C08 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.48Å | 1.52Å | |
| C18 | C19 | sing | 1.51Å | 1.49Å | |
| C17 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.47Å | 1.55Å | |
| C13 | O05 | doub | 1.22Å | 1.21Å | |
| C12 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| S01 | O | doub | 1.42Å | 1.52Å | |
| C20 | C19 | sing | 1.55Å | 1.51Å | |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | S | sing | 1.76Å | 1.81Å | |
| C23 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | N | sing | 1.39Å | 1.47Å | |
| N | S | sing | 1.66Å | 1.66Å | |
| S | O03 | doub | 1.42Å | 1.44Å | |
| S | O06 | doub | 1.42Å | 1.43Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| S01 | O1 | sing | 1.52Å | 1.56Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 120.5° | 120.1° |
| C25 | C26 | C08 | 119.4° | 119.9° |
| C25 | C26 | H9 | 120.3° | 120.1° |
| C26 | C25 | H21 | 119.7° | 120.0° |
| C25 | C24 | C10 | 119.3° | 119.9° |
| C25 | C24 | H8 | 120.3° | 120.0° |
| C24 | C25 | H21 | 119.7° | 120.0° |
| C26 | C08 | S01 | 122.7° | 120.0° |
| C26 | C08 | C09 | 120.1° | 120.0° |
| C08 | C26 | H9 | 120.3° | 120.0° |
| C14 | O04 | C13 | 115.2° | 117.0° |
| O04 | C14 | H13 | 109.5° | 109.5° |
| O04 | C14 | H14 | 109.5° | 109.5° |
| O04 | C14 | H15 | 109.4° | 109.5° |
| C21 | C22 | C18 | 105.0° | 110.8° |
| C22 | C21 | C20 | 105.9° | 104.8° |
| C22 | C21 | H4 | 110.4° | 110.4° |
| C22 | C21 | H5 | 110.3° | 110.5° |
| C21 | C22 | H6 | 127.5° | 124.5° |
| C22 | C18 | C17 | 124.1° | 124.5° |
| C22 | C18 | C19 | 109.0° | 110.8° |
| C18 | C22 | H6 | 127.5° | 124.7° |
| C21 | C20 | C19 | 106.4° | 101.6° |
| C21 | C20 | H2 | 110.2° | 111.0° |
| C21 | C20 | H3 | 110.2° | 111.0° |
| C20 | C21 | H4 | 110.4° | 110.3° |
| C20 | C21 | H5 | 110.4° | 110.4° |
| C24 | C10 | C09 | 120.5° | 120.0° |
| C24 | C10 | S | 122.3° | 120.0° |
| C10 | C24 | H8 | 120.4° | 120.1° |
| C15 | C16 | C17 | 119.9° | 120.3° |
| C16 | C15 | C12 | 119.7° | 120.2° |
| C16 | C15 | H1 | 120.1° | 119.9° |
| C15 | C16 | H16 | 120.1° | 119.8° |
| C16 | C17 | C18 | 116.8° | 119.9° |
| C16 | C17 | C23 | 120.9° | 120.1° |
| C17 | C16 | H16 | 120.0° | 119.8° |
| C15 | C12 | C13 | 117.8° | 120.0° |
| C15 | C12 | C11 | 120.9° | 119.9° |
| C12 | C15 | H1 | 120.2° | 119.9° |
| O07 | S01 | C08 | 112.4° | 106.4° |
| O07 | S01 | O | 100.4° | 123.2° |
| O07 | S01 | O1 | 112.6° | 106.4° |
| O04 | C13 | C12 | 117.8° | 120.0° |
| O04 | C13 | O05 | 120.5° | 120.0° |
| S01 | C08 | C09 | 117.1° | 120.0° |
| C08 | S01 | O | 108.7° | 106.4° |
| C08 | S01 | O1 | 109.6° | 107.2° |
| C08 | C09 | C10 | 120.2° | 120.0° |
| C08 | C09 | H12 | 119.9° | 120.1° |
| C17 | C18 | C19 | 126.9° | 124.7° |
| C18 | C17 | C23 | 122.3° | 119.9° |
| C18 | C19 | C20 | 107.4° | 104.9° |
| C18 | C19 | H18 | 110.0° | 110.4° |
| C18 | C19 | H19 | 110.0° | 110.4° |
| C17 | C23 | C11 | 119.3° | 119.8° |
| C17 | C23 | H20 | 120.4° | 120.1° |
| C12 | C13 | O05 | 119.1° | 120.0° |
| C13 | C12 | C11 | 121.3° | 120.1° |
| C12 | C11 | C23 | 119.3° | 119.7° |
| C12 | C11 | N | 119.5° | 120.1° |
| O | S01 | O1 | 112.7° | 106.4° |
| C19 | C20 | H2 | 110.2° | 111.0° |
| C19 | C20 | H3 | 110.2° | 111.0° |
| C20 | C19 | H18 | 110.0° | 110.4° |
| C20 | C19 | H19 | 110.0° | 110.4° |
| C09 | C10 | S | 117.3° | 120.0° |
| C10 | C09 | H12 | 119.9° | 120.0° |
| C10 | S | N | 111.2° | 107.2° |
| C10 | S | O03 | 111.1° | 106.4° |
| C10 | S | O06 | 109.4° | 106.4° |
| C23 | C11 | N | 121.3° | 120.2° |
| C11 | C23 | H20 | 120.3° | 120.1° |
| C11 | N | S | 120.8° | 120.0° |
| C11 | N | H10 | 106.6° | 120.0° |
| N | S | O03 | 113.5° | 106.4° |
| N | S | O06 | 109.8° | 106.4° |
| S | N | H10 | 106.6° | 120.0° |
| O03 | S | O06 | 101.3° | 123.2° |
| H2 | C20 | H3 | 109.5° | 110.9° |
| H4 | C21 | H5 | 109.5° | 110.3° |
| H13 | C14 | H14 | 109.4° | 109.5° |
| H13 | C14 | H15 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 110.4° |
| S01 | O1 | H7 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H21 | 180.0° | 179.7° |
| C25 | C26 | C08 | H9 | 180.0° | 179.4° |
| C26 | C25 | C24 | C10 | 0.4° | 0.1° |
| C25 | C26 | C08 | S01 | 179.5° | 179.4° |
| C25 | C26 | C08 | C09 | 0.1° | 0.6° |
| C26 | C25 | C24 | H8 | 179.6° | 180.0° |
| C24 | C25 | C26 | C08 | 0.2° | 0.3° |
| C25 | C24 | C10 | H8 | 180.0° | 179.9° |
| C25 | C24 | C10 | C09 | 0.4° | 0.1° |
| C25 | C24 | C10 | S | 180.0° | 179.8° |
| C24 | C25 | C26 | H9 | 179.9° | 179.8° |
| C26 | C08 | S01 | O07 | 28.9° | 156.5° |
| C26 | C08 | S01 | C09 | 179.6° | 180.0° |
| C26 | C08 | S01 | O | 139.2° | 23.5° |
| C26 | C08 | C09 | C10 | 0.0° | 0.6° |
| C26 | C08 | C09 | H12 | 180.0° | 179.4° |
| C08 | C26 | C25 | H21 | 179.8° | 180.0° |
| C26 | C08 | S01 | O1 | 97.2° | 90.0° |
| C14 | O04 | C13 | C12 | 147.3° | 180.0° |
| C14 | O04 | C13 | O05 | 51.0° | 0.0° |
| O04 | C14 | H13 | H14 | 120.0° | 120.0° |
| O04 | C14 | H13 | H15 | 120.0° | 120.0° |
| O04 | C14 | H14 | H15 | 120.0° | 120.0° |
| C21 | C22 | C18 | H6 | 180.0° | 180.0° |
| C22 | C21 | C20 | H4 | 119.4° | 118.8° |
| C22 | C21 | C20 | H5 | 119.4° | 118.9° |
| C21 | C22 | C18 | C17 | 165.1° | 180.0° |
| C21 | C22 | C18 | C19 | 15.2° | 0.0° |
| C22 | C21 | C20 | C19 | 24.7° | 24.9° |
| C22 | C21 | C20 | H2 | 94.8° | 93.1° |
| C22 | C21 | C20 | H3 | 144.2° | 143.0° |
| C22 | C21 | H4 | H5 | 121.6° | 122.4° |
| C18 | C22 | C21 | C20 | 24.3° | 16.6° |
| C22 | C18 | C17 | C16 | 15.5° | 114.8° |
| C22 | C18 | C17 | C19 | 179.7° | 179.9° |
| C22 | C18 | C17 | C23 | 164.4° | 65.1° |
| C22 | C18 | C19 | C20 | 0.0° | 16.6° |
| C18 | C22 | C21 | H4 | 143.7° | 102.3° |
| C18 | C22 | C21 | H5 | 95.2° | 135.4° |
| C22 | C18 | C19 | H18 | 119.6° | 135.4° |
| C22 | C18 | C19 | H19 | 119.7° | 102.3° |
| C21 | C20 | C19 | C18 | 15.3° | 25.0° |
| C21 | C20 | C19 | H2 | 119.5° | 118.0° |
| C21 | C20 | C19 | H3 | 119.5° | 118.1° |
| C21 | C20 | H2 | H3 | 121.4° | 123.9° |
| C20 | C21 | H4 | H5 | 121.7° | 122.2° |
| C20 | C21 | C22 | H6 | 155.7° | 163.4° |
| C21 | C20 | C19 | H18 | 104.4° | 143.8° |
| C21 | C20 | C19 | H19 | 135.0° | 93.9° |
| C24 | C10 | C09 | C08 | 0.2° | 0.3° |
| C24 | C10 | C09 | S | 179.6° | 179.7° |
| C24 | C10 | S | N | 42.0° | 89.7° |
| C24 | C10 | S | O03 | 85.5° | 23.8° |
| C24 | C10 | S | O06 | 163.5° | 156.8° |
| C24 | C10 | C09 | H12 | 179.8° | 179.6° |
| C10 | C24 | C25 | H21 | 179.6° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C16 | C15 | C12 | H1 | 180.0° | 179.7° |
| C15 | C16 | C17 | C18 | 179.7° | 179.8° |
| C15 | C16 | C17 | C23 | 0.2° | 0.0° |
| C16 | C15 | C12 | C13 | 179.6° | 179.8° |
| C16 | C15 | C12 | C11 | 0.2° | 0.2° |
| C17 | C16 | C15 | C12 | 0.4° | 0.0° |
| C16 | C17 | C18 | C23 | 179.9° | 179.9° |
| C16 | C17 | C18 | C19 | 164.2° | 65.2° |
| C16 | C17 | C23 | C11 | 0.2° | 0.2° |
| C17 | C16 | C15 | H1 | 179.6° | 179.7° |
| C16 | C17 | C23 | H20 | 179.8° | 179.9° |
| C15 | C12 | C13 | O04 | 9.3° | 0.0° |
| C15 | C12 | C13 | C11 | 179.8° | 180.0° |
| C15 | C12 | C13 | O05 | 171.2° | 180.0° |
| C15 | C12 | C11 | C23 | 0.2° | 0.5° |
| C15 | C12 | C11 | N | 179.6° | 180.0° |
| C12 | C15 | C16 | H16 | 179.6° | 180.0° |
| O07 | S01 | C08 | O | 110.3° | 133.0° |
| O07 | S01 | C08 | O1 | 126.1° | 113.5° |
| O07 | S01 | C08 | C09 | 151.5° | 23.5° |
| O07 | S01 | O | O1 | 120.1° | 122.9° |
| O07 | S01 | O1 | H7 | 0.0° | 66.4° |
| O04 | C13 | C12 | O05 | 161.9° | 180.0° |
| O04 | C13 | C12 | C11 | 170.5° | 180.0° |
| C13 | O04 | C14 | H13 | 180.0° | 60.0° |
| C13 | O04 | C14 | H14 | 60.0° | 60.0° |
| C13 | O04 | C14 | H15 | 60.0° | 180.0° |
| C08 | S01 | O | O1 | 121.8° | 114.1° |
| S01 | C08 | C09 | C10 | 179.6° | 179.4° |
| S01 | C08 | C26 | H9 | 0.5° | 0.0° |
| S01 | C08 | C09 | H12 | 0.4° | 0.6° |
| C08 | S01 | O1 | H7 | 126.0° | 180.0° |
| C09 | C08 | S01 | O | 41.2° | 156.5° |
| C08 | C09 | C10 | H12 | 180.0° | 180.0° |
| C08 | C09 | C10 | S | 179.8° | 180.0° |
| C09 | C08 | C26 | H9 | 179.9° | 180.0° |
| C09 | C08 | S01 | O1 | 82.4° | 90.0° |
| C17 | C18 | C19 | C20 | 179.7° | 163.5° |
| C18 | C17 | C23 | C11 | 179.9° | 179.9° |
| C17 | C18 | C22 | H6 | 14.9° | 0.1° |
| C18 | C17 | C16 | H16 | 0.3° | 0.2° |
| C17 | C18 | C19 | H18 | 60.6° | 44.6° |
| C17 | C18 | C19 | H19 | 60.1° | 77.7° |
| C18 | C17 | C23 | H20 | 0.1° | 0.2° |
| C19 | C18 | C17 | C23 | 15.9° | 115.0° |
| C18 | C19 | C20 | H18 | 119.7° | 118.9° |
| C18 | C19 | C20 | H19 | 119.6° | 118.8° |
| C18 | C19 | C20 | H2 | 104.2° | 93.1° |
| C18 | C19 | C20 | H3 | 134.8° | 143.1° |
| C19 | C18 | C22 | H6 | 164.8° | 180.0° |
| C18 | C19 | H18 | H19 | 121.0° | 122.3° |
| C17 | C23 | C11 | C12 | 0.4° | 0.5° |
| C17 | C23 | C11 | H20 | 180.0° | 179.7° |
| C17 | C23 | C11 | N | 179.8° | 180.0° |
| C23 | C17 | C16 | H16 | 179.8° | 180.0° |
| C13 | C12 | C11 | C23 | 180.0° | 179.5° |
| C13 | C12 | C11 | N | 0.6° | 0.0° |
| C13 | C12 | C15 | H1 | 0.4° | 0.1° |
| O05 | C13 | C12 | C11 | 8.6° | 0.0° |
| C12 | C11 | C23 | N | 179.4° | 179.5° |
| C12 | C11 | N | S | 174.8° | 144.8° |
| C11 | C12 | C15 | H1 | 179.8° | 179.9° |
| C12 | C11 | N | H10 | 53.2° | 35.3° |
| C12 | C11 | C23 | H20 | 179.6° | 179.8° |
| O | S01 | O1 | H7 | 112.8° | 66.5° |
| C19 | C20 | H2 | H3 | 121.4° | 123.9° |
| C19 | C20 | C21 | H4 | 144.2° | 93.9° |
| C19 | C20 | C21 | H5 | 94.7° | 143.9° |
| C20 | C19 | H18 | H19 | 121.0° | 122.3° |
| C09 | C10 | S | N | 137.6° | 90.0° |
| C09 | C10 | S | O03 | 94.9° | 156.5° |
| C09 | C10 | S | O06 | 16.1° | 23.5° |
| C09 | C10 | C24 | H8 | 179.6° | 180.0° |
| C10 | S | N | C11 | 63.1° | 60.5° |
| C10 | S | N | O03 | 126.1° | 113.5° |
| C10 | S | N | O06 | 121.3° | 113.5° |
| C10 | S | O03 | O06 | 116.2° | 123.0° |
| S | C10 | C24 | H8 | 0.0° | 0.3° |
| C10 | S | N | H10 | 58.5° | 119.6° |
| S | C10 | C09 | H12 | 0.2° | 0.0° |
| C23 | C11 | N | S | 4.6° | 35.7° |
| C23 | C11 | N | H10 | 126.2° | 144.2° |
| C11 | N | S | H10 | 121.6° | 179.9° |
| C11 | N | S | O03 | 170.8° | 53.1° |
| C11 | N | S | O06 | 58.2° | 174.0° |
| N | C11 | C23 | H20 | 0.2° | 0.3° |
| N | S | O03 | O06 | 117.6° | 122.9° |
| O03 | S | N | H10 | 67.6° | 126.8° |
| O06 | S | N | H10 | 179.8° | 6.1° |
| H1 | C15 | C16 | H16 | 0.4° | 0.3° |
| H2 | C20 | C21 | H4 | 24.7° | 148.0° |
| H2 | C20 | C21 | H5 | 145.8° | 25.8° |
| H2 | C20 | C19 | H18 | 136.1° | 25.8° |
| H2 | C20 | C19 | H19 | 15.4° | 148.1° |
| H3 | C20 | C21 | H4 | 96.3° | 24.2° |
| H3 | C20 | C21 | H5 | 24.8° | 98.0° |
| H3 | C20 | C19 | H18 | 15.2° | 98.1° |
| H3 | C20 | C19 | H19 | 105.5° | 24.2° |
| H4 | C21 | C22 | H6 | 36.3° | 77.7° |
| H5 | C21 | C22 | H6 | 84.8° | 44.6° |
| H8 | C24 | C25 | H21 | 0.4° | 0.4° |
| H9 | C26 | C25 | H21 | 0.1° | 0.6° |
| H13 | C14 | H14 | H15 | 120.0° | 120.0° |
