O5H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | S02 | doub | 1.42Å | 1.58Å | |
| O03 | S02 | doub | 1.42Å | 1.61Å | |
| S02 | N01 | sing | 1.66Å | 1.66Å | |
| S02 | C05 | sing | 1.76Å | 1.79Å | |
| C10 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.36Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C07 | N11 | sing | 1.40Å | 1.42Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| N11 | C12 | sing | 1.35Å | 1.41Å | |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| O13 | C12 | doub | 1.22Å | 1.22Å | |
| C12 | N14 | sing | 1.35Å | 1.42Å | |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| N14 | C15 | sing | 1.46Å | 1.47Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C18 | N17 | sing | 1.47Å | 1.49Å | |
| N17 | C16 | sing | 1.47Å | 1.50Å | |
| C06 | H1 | sing | 1.08Å | 1.08Å | |
| C08 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| N01 | H16 | sing | 0.97Å | 1.00Å | |
| N01 | H17 | sing | 0.97Å | 1.00Å | |
| N11 | H18 | sing | 0.97Å | 1.00Å | |
| N14 | H19 | sing | 0.97Å | 1.00Å | |
| N17 | H20 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | S02 | O03 | 109.3° | 123.2° |
| O04 | S02 | N01 | 105.8° | 106.4° |
| O04 | S02 | C05 | 108.9° | 106.4° |
| O03 | S02 | N01 | 104.8° | 106.4° |
| O03 | S02 | C05 | 113.4° | 106.4° |
| N01 | S02 | C05 | 114.2° | 107.2° |
| S02 | N01 | H16 | 109.5° | 120.0° |
| S02 | N01 | H17 | 109.5° | 120.0° |
| S02 | C05 | C10 | 119.1° | 119.9° |
| S02 | C05 | C06 | 121.5° | 120.0° |
| C05 | C10 | C09 | 119.5° | 120.1° |
| C10 | C05 | C06 | 119.4° | 120.1° |
| C05 | C10 | H4 | 120.3° | 120.0° |
| C10 | C09 | C08 | 119.8° | 120.1° |
| C10 | C09 | H3 | 120.1° | 119.9° |
| C09 | C10 | H4 | 120.2° | 119.9° |
| C05 | C06 | C07 | 123.9° | 119.9° |
| C05 | C06 | H1 | 118.0° | 120.1° |
| C09 | C08 | C07 | 122.0° | 119.9° |
| C09 | C08 | H2 | 119.0° | 120.1° |
| C08 | C09 | H3 | 120.1° | 120.0° |
| C06 | C07 | C08 | 115.3° | 119.9° |
| C06 | C07 | N11 | 121.2° | 120.0° |
| C07 | C06 | H1 | 118.1° | 120.0° |
| C08 | C07 | N11 | 123.5° | 120.1° |
| C07 | C08 | H2 | 119.0° | 120.0° |
| C07 | N11 | C12 | 127.0° | 120.0° |
| C07 | N11 | H18 | 116.5° | 120.0° |
| C21 | C22 | C23 | 119.1° | 120.0° |
| C22 | C21 | C20 | 120.2° | 120.0° |
| C22 | C21 | H12 | 119.9° | 120.0° |
| C21 | C22 | H13 | 120.4° | 120.0° |
| C22 | C23 | C24 | 120.4° | 120.0° |
| C23 | C22 | H13 | 120.5° | 120.0° |
| C22 | C23 | H14 | 119.8° | 120.0° |
| N11 | C12 | O13 | 119.1° | 120.0° |
| N11 | C12 | N14 | 122.4° | 120.0° |
| C12 | N11 | H18 | 116.5° | 120.0° |
| C21 | C20 | C19 | 122.2° | 120.0° |
| C21 | C20 | H11 | 118.9° | 119.9° |
| C20 | C21 | H12 | 119.9° | 120.1° |
| C23 | C24 | C19 | 121.7° | 120.0° |
| C24 | C23 | H14 | 119.8° | 120.0° |
| C23 | C24 | H15 | 119.2° | 120.0° |
| O13 | C12 | N14 | 118.6° | 120.0° |
| C12 | N14 | C15 | 123.3° | 120.0° |
| C12 | N14 | H19 | 118.4° | 120.0° |
| C20 | C19 | C24 | 116.4° | 120.0° |
| C20 | C19 | C18 | 121.6° | 120.0° |
| C19 | C20 | H11 | 118.9° | 120.0° |
| C24 | C19 | C18 | 122.0° | 120.0° |
| C19 | C24 | H15 | 119.2° | 120.0° |
| N14 | C15 | C16 | 112.5° | 109.5° |
| N14 | C15 | H5 | 108.7° | 109.5° |
| N14 | C15 | H6 | 108.7° | 109.5° |
| C15 | N14 | H19 | 118.4° | 120.0° |
| C19 | C18 | N17 | 113.0° | 109.5° |
| C19 | C18 | H9 | 108.5° | 109.5° |
| C19 | C18 | H10 | 108.6° | 109.4° |
| C15 | C16 | N17 | 112.0° | 109.5° |
| C16 | C15 | H5 | 108.7° | 109.5° |
| C16 | C15 | H6 | 108.7° | 109.5° |
| C15 | C16 | H7 | 108.8° | 109.4° |
| C15 | C16 | H8 | 108.8° | 109.5° |
| C18 | N17 | C16 | 114.5° | 111.0° |
| N17 | C18 | H9 | 108.6° | 109.5° |
| N17 | C18 | H10 | 108.6° | 109.4° |
| C18 | N17 | H20 | 108.2° | 111.1° |
| N17 | C16 | H7 | 108.9° | 109.4° |
| N17 | C16 | H8 | 108.8° | 109.5° |
| C16 | N17 | H20 | 108.2° | 111.0° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.5° |
| H16 | N01 | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | S02 | O03 | N01 | 113.0° | 122.9° |
| O04 | S02 | O03 | C05 | 121.7° | 123.0° |
| O04 | S02 | N01 | C05 | 119.8° | 113.5° |
| O04 | S02 | C05 | C10 | 29.5° | 156.2° |
| O04 | S02 | C05 | C06 | 149.0° | 23.5° |
| O04 | S02 | N01 | H16 | 180.0° | 23.5° |
| O04 | S02 | N01 | H17 | 60.0° | 156.5° |
| O03 | S02 | N01 | C05 | 124.7° | 113.6° |
| O03 | S02 | C05 | C10 | 92.5° | 23.2° |
| O03 | S02 | C05 | C06 | 89.1° | 156.4° |
| O03 | S02 | N01 | H16 | 64.6° | 156.5° |
| O03 | S02 | N01 | H17 | 55.5° | 23.6° |
| N01 | S02 | C05 | C10 | 147.5° | 90.3° |
| N01 | S02 | C05 | C06 | 30.9° | 90.0° |
| S02 | N01 | H16 | H17 | 120.0° | 180.0° |
| S02 | C05 | C10 | C06 | 178.5° | 179.7° |
| S02 | C05 | C10 | C09 | 179.8° | 179.7° |
| S02 | C05 | C06 | C07 | 179.8° | 179.7° |
| S02 | C05 | C06 | H1 | 0.2° | 0.3° |
| S02 | C05 | C10 | H4 | 0.2° | 0.3° |
| C05 | S02 | N01 | H16 | 60.2° | 90.0° |
| C05 | S02 | N01 | H17 | 179.8° | 90.0° |
| C05 | C10 | C09 | H4 | 180.0° | 180.0° |
| C05 | C10 | C09 | C08 | 0.6° | 0.0° |
| C10 | C05 | C06 | C07 | 1.3° | 0.0° |
| C10 | C05 | C06 | H1 | 178.7° | 180.0° |
| C05 | C10 | C09 | H3 | 179.4° | 179.9° |
| C09 | C10 | C05 | C06 | 1.3° | 0.0° |
| C10 | C09 | C08 | H3 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 0.1° | 0.0° |
| C10 | C09 | C08 | H2 | 179.9° | 180.0° |
| C05 | C06 | C07 | H1 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.6° | 0.0° |
| C05 | C06 | C07 | N11 | 179.8° | 180.0° |
| C06 | C05 | C10 | H4 | 178.7° | 180.0° |
| C09 | C08 | C07 | C06 | 0.2° | 0.0° |
| C09 | C08 | C07 | H2 | 180.0° | 180.0° |
| C09 | C08 | C07 | N11 | 179.5° | 180.0° |
| C08 | C09 | C10 | H4 | 179.4° | 180.0° |
| C06 | C07 | C08 | N11 | 179.6° | 180.0° |
| C06 | C07 | N11 | C12 | 152.4° | 33.2° |
| C06 | C07 | C08 | H2 | 179.8° | 180.0° |
| C06 | C07 | N11 | H18 | 27.6° | 146.7° |
| C08 | C07 | N11 | C12 | 27.2° | 146.8° |
| C08 | C07 | C06 | H1 | 179.4° | 180.0° |
| C07 | C08 | C09 | H3 | 179.9° | 179.9° |
| C08 | C07 | N11 | H18 | 152.8° | 33.3° |
| C07 | N11 | C12 | H18 | 180.0° | 180.0° |
| C07 | N11 | C12 | O13 | 0.2° | 5.3° |
| C07 | N11 | C12 | N14 | 179.1° | 174.7° |
| N11 | C07 | C06 | H1 | 0.3° | 0.0° |
| N11 | C07 | C08 | H2 | 0.5° | 0.0° |
| C21 | C22 | C23 | H13 | 180.0° | 180.0° |
| C22 | C21 | C20 | H12 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C22 | C21 | C20 | C19 | 0.2° | 0.0° |
| C22 | C21 | C20 | H11 | 179.8° | 180.0° |
| C21 | C22 | C23 | H14 | 179.9° | 179.9° |
| C23 | C22 | C21 | C20 | 0.2° | 0.1° |
| C22 | C23 | C24 | H14 | 180.0° | 179.9° |
| C22 | C23 | C24 | C19 | 0.3° | 0.5° |
| C23 | C22 | C21 | H12 | 179.9° | 180.0° |
| C22 | C23 | C24 | H15 | 179.6° | 180.0° |
| N11 | C12 | O13 | N14 | 179.4° | 180.0° |
| N11 | C12 | N14 | C15 | 179.1° | 180.0° |
| N11 | C12 | N14 | H19 | 1.0° | 0.0° |
| C21 | C20 | C19 | H11 | 180.0° | 180.0° |
| C21 | C20 | C19 | C24 | 0.6° | 0.3° |
| C21 | C20 | C19 | C18 | 178.9° | 180.0° |
| C20 | C21 | C22 | H13 | 179.8° | 180.0° |
| C23 | C24 | C19 | C20 | 0.7° | 0.5° |
| C23 | C24 | C19 | H15 | 180.0° | 179.5° |
| C23 | C24 | C19 | C18 | 179.0° | 179.7° |
| C24 | C23 | C22 | H13 | 179.9° | 179.8° |
| O13 | C12 | N14 | C15 | 1.6° | 0.0° |
| O13 | C12 | N11 | H18 | 179.8° | 174.7° |
| O13 | C12 | N14 | H19 | 178.4° | 180.0° |
| C12 | N14 | C15 | H19 | 180.0° | 180.0° |
| C12 | N14 | C15 | C16 | 80.2° | 180.0° |
| C12 | N14 | C15 | H5 | 159.3° | 60.0° |
| C12 | N14 | C15 | H6 | 40.2° | 60.0° |
| N14 | C12 | N11 | H18 | 0.9° | 5.3° |
| C20 | C19 | C24 | C18 | 178.3° | 179.8° |
| C20 | C19 | C18 | N17 | 71.9° | 90.0° |
| C20 | C19 | C18 | H9 | 48.6° | 150.0° |
| C20 | C19 | C18 | H10 | 167.5° | 30.0° |
| C19 | C20 | C21 | H12 | 179.7° | 180.0° |
| C20 | C19 | C24 | H15 | 179.3° | 180.0° |
| C24 | C19 | C18 | N17 | 106.3° | 90.3° |
| C24 | C19 | C18 | H9 | 133.2° | 29.8° |
| C24 | C19 | C18 | H10 | 14.3° | 149.8° |
| C24 | C19 | C20 | H11 | 179.4° | 179.7° |
| C19 | C24 | C23 | H14 | 179.7° | 179.6° |
| N14 | C15 | C16 | H5 | 120.4° | 120.0° |
| N14 | C15 | C16 | H6 | 120.4° | 120.0° |
| N14 | C15 | C16 | N17 | 37.6° | 180.0° |
| N14 | C15 | H5 | H6 | 118.6° | 120.0° |
| N14 | C15 | C16 | H7 | 158.0° | 60.1° |
| N14 | C15 | C16 | H8 | 82.8° | 60.0° |
| C19 | C18 | N17 | H9 | 120.5° | 120.1° |
| C19 | C18 | N17 | H10 | 120.5° | 120.0° |
| C19 | C18 | N17 | C16 | 98.5° | 180.0° |
| C19 | C18 | H9 | H10 | 118.4° | 120.0° |
| C18 | C19 | C20 | H11 | 1.1° | 0.0° |
| C18 | C19 | C24 | H15 | 1.0° | 0.2° |
| C19 | C18 | N17 | H20 | 140.8° | 56.0° |
| C15 | C16 | N17 | C18 | 156.5° | 180.0° |
| C15 | C16 | N17 | H7 | 120.4° | 119.9° |
| C15 | C16 | N17 | H8 | 120.4° | 120.0° |
| C16 | C15 | H5 | H6 | 118.6° | 120.0° |
| C15 | C16 | H7 | H8 | 118.8° | 120.0° |
| C16 | C15 | N14 | H19 | 99.8° | 0.0° |
| C15 | C16 | N17 | H20 | 82.7° | 56.0° |
| C18 | N17 | C16 | H20 | 120.7° | 124.0° |
| C18 | N17 | C16 | H7 | 83.1° | 60.1° |
| C18 | N17 | C16 | H8 | 36.2° | 60.0° |
| N17 | C18 | H9 | H10 | 118.4° | 120.0° |
| N17 | C16 | C15 | H5 | 82.9° | 60.0° |
| N17 | C16 | C15 | H6 | 158.0° | 60.0° |
| N17 | C16 | H7 | H8 | 118.8° | 120.1° |
| C16 | N17 | C18 | H9 | 22.0° | 59.9° |
| C16 | N17 | C18 | H10 | 141.0° | 60.1° |
| H2 | C08 | C09 | H3 | 0.2° | 0.1° |
| H3 | C09 | C10 | H4 | 0.6° | 0.1° |
| H5 | C15 | C16 | H7 | 37.6° | 60.0° |
| H5 | C15 | C16 | H8 | 156.8° | 180.0° |
| H5 | C15 | N14 | H19 | 20.7° | 120.0° |
| H6 | C15 | C16 | H7 | 81.6° | 180.0° |
| H6 | C15 | C16 | H8 | 37.6° | 60.0° |
| H6 | C15 | N14 | H19 | 139.8° | 120.0° |
| H7 | C16 | N17 | H20 | 37.7° | 63.9° |
| H8 | C16 | N17 | H20 | 156.9° | 176.0° |
| H9 | C18 | N17 | H20 | 98.7° | 176.1° |
| H10 | C18 | N17 | H20 | 20.2° | 63.9° |
| H11 | C20 | C21 | H12 | 0.2° | 0.0° |
| H12 | C21 | C22 | H13 | 0.1° | 0.0° |
| H13 | C22 | C23 | H14 | 0.1° | 0.1° |
| H14 | C23 | C24 | H15 | 0.4° | 0.1° |
