O5N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | S02 | doub | 1.42Å | 1.62Å | |
| O03 | S02 | doub | 1.42Å | 1.63Å | |
| S02 | N01 | sing | 1.66Å | 1.71Å | |
| S02 | C05 | sing | 1.76Å | 1.82Å | |
| C10 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | N11 | sing | 1.40Å | 1.45Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| N11 | C12 | sing | 1.35Å | 1.45Å | |
| F25 | C24 | sing | 1.35Å | 1.37Å | |
| C24 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| O13 | C12 | doub | 1.22Å | 1.18Å | |
| C12 | N14 | sing | 1.35Å | 1.45Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| N14 | C15 | sing | 1.47Å | 1.45Å | |
| C18 | N17 | sing | 1.47Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | N17 | sing | 1.47Å | 1.45Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| N01 | H15 | sing | 0.97Å | 1.00Å | |
| N01 | H16 | sing | 0.97Å | 1.00Å | |
| N11 | H17 | sing | 0.97Å | 1.00Å | |
| N14 | H18 | sing | 0.97Å | 1.00Å | |
| N17 | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | S02 | O03 | 117.3° | 123.1° |
| O04 | S02 | N01 | 113.9° | 106.4° |
| O04 | S02 | C05 | 101.4° | 106.4° |
| O03 | S02 | N01 | 105.0° | 106.4° |
| O03 | S02 | C05 | 109.2° | 106.4° |
| N01 | S02 | C05 | 110.0° | 107.2° |
| S02 | N01 | H15 | 109.5° | 120.0° |
| S02 | N01 | H16 | 109.4° | 120.0° |
| S02 | C05 | C10 | 118.7° | 120.0° |
| S02 | C05 | C06 | 121.3° | 120.0° |
| C05 | C10 | C09 | 120.7° | 120.1° |
| C10 | C05 | C06 | 120.0° | 120.1° |
| C05 | C10 | H1 | 119.7° | 119.9° |
| C10 | C09 | C08 | 119.2° | 120.1° |
| C09 | C10 | H1 | 119.6° | 120.0° |
| C10 | C09 | H12 | 120.4° | 119.9° |
| C05 | C06 | C07 | 119.9° | 119.9° |
| C05 | C06 | H10 | 120.0° | 120.1° |
| C09 | C08 | C07 | 119.9° | 119.9° |
| C09 | C08 | H11 | 120.1° | 120.0° |
| C08 | C09 | H12 | 120.4° | 120.0° |
| C06 | C07 | C08 | 120.3° | 119.9° |
| C06 | C07 | N11 | 116.1° | 120.0° |
| C07 | C06 | H10 | 120.0° | 120.0° |
| C08 | C07 | N11 | 123.6° | 120.1° |
| C07 | C08 | H11 | 120.1° | 120.1° |
| C07 | N11 | C12 | 124.9° | 120.0° |
| C07 | N11 | H17 | 117.5° | 120.0° |
| C22 | C23 | C24 | 118.7° | 120.0° |
| C23 | C22 | C21 | 120.8° | 120.0° |
| C22 | C23 | H4 | 120.6° | 120.0° |
| C23 | C22 | H5 | 119.6° | 120.0° |
| C23 | C24 | F25 | 120.3° | 120.0° |
| C23 | C24 | C19 | 120.9° | 120.0° |
| C24 | C23 | H4 | 120.6° | 120.0° |
| C22 | C21 | C20 | 120.3° | 120.1° |
| C21 | C22 | H5 | 119.6° | 120.0° |
| C22 | C21 | H7 | 119.9° | 119.9° |
| N11 | C12 | O13 | 122.1° | 120.0° |
| N11 | C12 | N14 | 119.0° | 120.0° |
| C12 | N11 | H17 | 117.5° | 120.0° |
| F25 | C24 | C19 | 118.8° | 120.0° |
| C24 | C19 | C20 | 120.5° | 120.0° |
| C24 | C19 | C18 | 117.1° | 120.0° |
| O13 | C12 | N14 | 118.8° | 120.0° |
| C12 | N14 | C15 | 117.5° | 120.0° |
| C12 | N14 | H18 | 121.2° | 120.0° |
| C21 | C20 | C19 | 118.8° | 120.0° |
| C21 | C20 | H6 | 120.6° | 119.9° |
| C20 | C21 | H7 | 119.8° | 120.0° |
| C20 | C19 | C18 | 122.4° | 120.0° |
| C19 | C20 | H6 | 120.6° | 120.0° |
| C19 | C18 | N17 | 114.9° | 109.4° |
| C19 | C18 | H8 | 108.1° | 109.5° |
| C19 | C18 | H9 | 108.1° | 109.5° |
| N14 | C15 | C16 | 103.2° | 109.5° |
| N14 | C15 | H13 | 111.0° | 109.5° |
| N14 | C15 | H14 | 111.0° | 109.5° |
| C15 | N14 | H18 | 121.2° | 120.0° |
| C18 | N17 | C16 | 111.3° | 111.0° |
| N17 | C18 | H8 | 108.1° | 109.5° |
| N17 | C18 | H9 | 108.1° | 109.5° |
| C18 | N17 | H19 | 109.0° | 111.0° |
| C15 | C16 | N17 | 114.3° | 109.4° |
| C15 | C16 | H2 | 108.2° | 109.5° |
| C15 | C16 | H3 | 108.3° | 109.5° |
| C16 | C15 | H13 | 111.0° | 109.5° |
| C16 | C15 | H14 | 111.0° | 109.5° |
| N17 | C16 | H2 | 108.3° | 109.5° |
| N17 | C16 | H3 | 108.2° | 109.5° |
| C16 | N17 | H19 | 109.0° | 111.0° |
| H2 | C16 | H3 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.4° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H15 | N01 | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | S02 | O03 | N01 | 127.6° | 122.9° |
| O04 | S02 | O03 | C05 | 114.5° | 123.0° |
| O04 | S02 | N01 | C05 | 113.0° | 113.6° |
| O04 | S02 | C05 | C10 | 29.4° | 23.6° |
| O04 | S02 | C05 | C06 | 149.8° | 156.4° |
| O04 | S02 | N01 | H15 | 180.0° | 66.5° |
| O04 | S02 | N01 | H16 | 60.0° | 113.6° |
| O03 | S02 | N01 | C05 | 117.4° | 113.6° |
| O03 | S02 | C05 | C10 | 95.0° | 156.4° |
| O03 | S02 | C05 | C06 | 85.7° | 23.5° |
| O03 | S02 | N01 | H15 | 50.3° | 66.3° |
| O03 | S02 | N01 | H16 | 69.7° | 113.6° |
| N01 | S02 | C05 | C10 | 150.3° | 90.0° |
| N01 | S02 | C05 | C06 | 29.0° | 90.1° |
| S02 | N01 | H15 | H16 | 120.0° | 179.9° |
| S02 | C05 | C10 | C06 | 179.3° | 179.9° |
| S02 | C05 | C10 | C09 | 179.5° | 180.0° |
| S02 | C05 | C06 | C07 | 178.5° | 180.0° |
| S02 | C05 | C10 | H1 | 0.5° | 0.3° |
| S02 | C05 | C06 | H10 | 1.5° | 0.0° |
| C05 | S02 | N01 | H15 | 67.0° | 179.9° |
| C05 | S02 | N01 | H16 | 173.0° | 0.0° |
| C05 | C10 | C09 | H1 | 180.0° | 179.7° |
| C05 | C10 | C09 | C08 | 0.3° | 0.0° |
| C10 | C05 | C06 | C07 | 0.7° | 0.1° |
| C10 | C05 | C06 | H10 | 179.3° | 179.9° |
| C05 | C10 | C09 | H12 | 179.7° | 180.0° |
| C09 | C10 | C05 | C06 | 0.2° | 0.1° |
| C10 | C09 | C08 | H12 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 0.6° | 0.1° |
| C10 | C09 | C08 | H11 | 179.4° | 179.9° |
| C05 | C06 | C07 | H10 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 1.7° | 0.0° |
| C05 | C06 | C07 | N11 | 179.5° | 180.0° |
| C06 | C05 | C10 | H1 | 179.8° | 179.8° |
| C09 | C08 | C07 | C06 | 1.6° | 0.1° |
| C09 | C08 | C07 | H11 | 180.0° | 180.0° |
| C09 | C08 | C07 | N11 | 179.3° | 180.0° |
| C08 | C09 | C10 | H1 | 179.7° | 179.7° |
| C06 | C07 | C08 | N11 | 177.6° | 180.0° |
| C06 | C07 | N11 | C12 | 169.8° | 35.1° |
| C06 | C07 | C08 | H11 | 178.4° | 180.0° |
| C06 | C07 | N11 | H17 | 10.2° | 144.9° |
| C08 | C07 | N11 | C12 | 8.0° | 144.9° |
| C08 | C07 | C06 | H10 | 178.3° | 180.0° |
| C07 | C08 | C09 | H12 | 179.4° | 180.0° |
| C08 | C07 | N11 | H17 | 172.0° | 35.1° |
| C07 | N11 | C12 | H17 | 180.0° | 180.0° |
| C07 | N11 | C12 | O13 | 1.3° | 4.6° |
| C07 | N11 | C12 | N14 | 179.2° | 175.4° |
| N11 | C07 | C06 | H10 | 0.5° | 0.0° |
| N11 | C07 | C08 | H11 | 0.8° | 0.0° |
| C22 | C23 | C24 | H4 | 180.0° | 179.8° |
| C23 | C22 | C21 | H5 | 180.0° | 180.0° |
| C22 | C23 | C24 | F25 | 179.9° | 180.0° |
| C22 | C23 | C24 | C19 | 0.3° | 0.1° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C23 | C22 | C21 | H7 | 179.7° | 180.0° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C23 | C24 | F25 | C19 | 179.6° | 179.9° |
| C23 | C24 | C19 | C20 | 0.5° | 0.1° |
| C23 | C24 | C19 | C18 | 179.6° | 180.0° |
| C24 | C23 | C22 | H5 | 179.8° | 180.0° |
| C22 | C21 | C20 | H7 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.4° | 0.0° |
| C21 | C22 | C23 | H4 | 179.8° | 179.8° |
| C22 | C21 | C20 | H6 | 179.6° | 180.0° |
| N11 | C12 | O13 | N14 | 179.5° | 180.0° |
| N11 | C12 | N14 | C15 | 178.8° | 180.0° |
| N11 | C12 | N14 | H18 | 1.2° | 0.1° |
| F25 | C24 | C19 | C20 | 179.9° | 180.0° |
| F25 | C24 | C19 | C18 | 0.1° | 0.1° |
| F25 | C24 | C23 | H4 | 0.1° | 0.2° |
| C24 | C19 | C20 | C21 | 0.5° | 0.0° |
| C24 | C19 | C20 | C18 | 179.9° | 179.9° |
| C24 | C19 | C18 | N17 | 145.5° | 80.0° |
| C19 | C24 | C23 | H4 | 179.7° | 179.7° |
| C24 | C19 | C20 | H6 | 179.5° | 179.9° |
| C24 | C19 | C18 | H8 | 24.7° | 159.9° |
| C24 | C19 | C18 | H9 | 93.7° | 39.9° |
| O13 | C12 | N14 | C15 | 1.7° | 0.1° |
| O13 | C12 | N11 | H17 | 178.7° | 175.3° |
| O13 | C12 | N14 | H18 | 178.4° | 180.0° |
| C12 | N14 | C15 | H18 | 180.0° | 179.9° |
| C12 | N14 | C15 | C16 | 98.3° | 179.9° |
| C12 | N14 | C15 | H13 | 142.7° | 59.9° |
| C12 | N14 | C15 | H14 | 20.7° | 60.0° |
| N14 | C12 | N11 | H17 | 0.9° | 4.6° |
| C21 | C20 | C19 | H6 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 179.6° | 179.9° |
| C20 | C21 | C22 | H5 | 179.8° | 180.0° |
| C20 | C19 | C18 | N17 | 34.6° | 100.0° |
| C19 | C20 | C21 | H7 | 179.6° | 180.0° |
| C20 | C19 | C18 | H8 | 155.4° | 20.0° |
| C20 | C19 | C18 | H9 | 86.2° | 140.0° |
| C19 | C18 | N17 | H8 | 120.8° | 120.0° |
| C19 | C18 | N17 | H9 | 120.8° | 120.0° |
| C19 | C18 | N17 | C16 | 74.7° | 180.0° |
| C18 | C19 | C20 | H6 | 0.4° | 0.0° |
| C19 | C18 | H8 | H9 | 117.6° | 120.0° |
| C19 | C18 | N17 | H19 | 165.0° | 56.0° |
| N14 | C15 | C16 | H13 | 119.0° | 120.0° |
| N14 | C15 | C16 | H14 | 119.0° | 120.0° |
| N14 | C15 | C16 | N17 | 144.7° | 180.0° |
| N14 | C15 | C16 | H2 | 24.0° | 60.0° |
| N14 | C15 | C16 | H3 | 94.6° | 60.0° |
| N14 | C15 | H13 | H14 | 122.9° | 120.0° |
| C18 | N17 | C16 | C15 | 59.1° | 180.0° |
| C18 | N17 | C16 | H19 | 120.3° | 123.9° |
| C18 | N17 | C16 | H2 | 61.6° | 60.0° |
| C18 | N17 | C16 | H3 | 179.8° | 60.0° |
| N17 | C18 | H8 | H9 | 117.5° | 120.0° |
| C15 | C16 | N17 | H2 | 120.7° | 120.0° |
| C15 | C16 | N17 | H3 | 120.7° | 120.0° |
| C15 | C16 | H2 | H3 | 117.8° | 120.0° |
| C16 | C15 | H13 | H14 | 122.9° | 120.0° |
| C16 | C15 | N14 | H18 | 81.7° | 0.0° |
| C15 | C16 | N17 | H19 | 61.2° | 56.1° |
| N17 | C16 | H2 | H3 | 117.8° | 120.0° |
| C16 | N17 | C18 | H8 | 46.1° | 60.0° |
| C16 | N17 | C18 | H9 | 164.4° | 60.0° |
| N17 | C16 | C15 | H13 | 96.3° | 60.0° |
| N17 | C16 | C15 | H14 | 25.7° | 60.0° |
| H1 | C10 | C09 | H12 | 0.3° | 0.2° |
| H2 | C16 | C15 | H13 | 143.0° | 60.0° |
| H2 | C16 | C15 | H14 | 95.0° | 180.0° |
| H2 | C16 | N17 | H19 | 178.0° | 63.9° |
| H3 | C16 | C15 | H13 | 24.4° | 180.0° |
| H3 | C16 | C15 | H14 | 146.4° | 60.0° |
| H3 | C16 | N17 | H19 | 59.5° | 176.1° |
| H4 | C23 | C22 | H5 | 0.2° | 0.2° |
| H5 | C22 | C21 | H7 | 0.2° | 0.0° |
| H6 | C20 | C21 | H7 | 0.4° | 0.1° |
| H8 | C18 | N17 | H19 | 74.2° | 176.1° |
| H9 | C18 | N17 | H19 | 44.2° | 63.9° |
| H11 | C08 | C09 | H12 | 0.6° | 0.0° |
| H13 | C15 | N14 | H18 | 37.3° | 120.0° |
| H14 | C15 | N14 | H18 | 159.3° | 120.1° |
