H0U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C19 | trip | 1.14Å | 1.46Å | |
| C19 | C01 | sing | 1.43Å | 1.54Å | |
| C01 | C02 | doub | 1.37Å | 1.42Å | Aromatic |
| C01 | S01 | sing | 1.76Å | 1.70Å | Aromatic |
| C02 | C03 | sing | 1.37Å | 1.45Å | Aromatic |
| S01 | C04 | sing | 1.76Å | 1.66Å | Aromatic |
| C03 | C04 | doub | 1.36Å | 1.42Å | Aromatic |
| C04 | C05 | sing | 1.48Å | 1.52Å | |
| C05 | C10 | doub | 1.40Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.37Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.37Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | N01 | sing | 1.40Å | 1.46Å | |
| C08 | C11 | sing | 1.51Å | 1.53Å | |
| O01 | S02 | doub | 1.42Å | 1.65Å | |
| N01 | S02 | sing | 1.66Å | 1.73Å | |
| S02 | O02 | doub | 1.42Å | 1.68Å | |
| S02 | C12 | sing | 1.76Å | 1.77Å | |
| C13 | C12 | doub | 1.38Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.53Å | |
| C09 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H7 | sing | 1.08Å | 1.08Å | |
| C03 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| N01 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N02 | C19 | C01 | 109.1° | 180.0° |
| C19 | C01 | C02 | 128.5° | 125.2° |
| C19 | C01 | S01 | 126.1° | 125.1° |
| C02 | C01 | S01 | 105.4° | 109.7° |
| C01 | C02 | C03 | 112.4° | 114.7° |
| C01 | C02 | H7 | 123.8° | 122.7° |
| C01 | S01 | C04 | 101.9° | 91.1° |
| C02 | C03 | C04 | 115.6° | 114.8° |
| C03 | C02 | H7 | 123.8° | 122.6° |
| C02 | C03 | H8 | 122.2° | 122.6° |
| S01 | C04 | C03 | 104.7° | 109.7° |
| S01 | C04 | C05 | 121.6° | 125.1° |
| C03 | C04 | C05 | 133.8° | 125.2° |
| C04 | C03 | H8 | 122.2° | 122.6° |
| C04 | C05 | C10 | 118.5° | 120.1° |
| C04 | C05 | C06 | 120.7° | 120.2° |
| C10 | C05 | C06 | 120.8° | 119.7° |
| C05 | C10 | C09 | 118.1° | 120.1° |
| C05 | C10 | H2 | 121.0° | 120.0° |
| C05 | C06 | C07 | 121.0° | 119.8° |
| C05 | C06 | H9 | 119.5° | 120.1° |
| C10 | C09 | C08 | 121.8° | 120.2° |
| C10 | C09 | H1 | 119.1° | 119.9° |
| C09 | C10 | H2 | 121.0° | 119.9° |
| C06 | C07 | C08 | 119.3° | 120.0° |
| C06 | C07 | N01 | 116.9° | 120.0° |
| C07 | C06 | H9 | 119.5° | 120.1° |
| C09 | C08 | C07 | 119.0° | 120.2° |
| C09 | C08 | C11 | 120.5° | 119.9° |
| C08 | C09 | H1 | 119.1° | 119.9° |
| C08 | C07 | N01 | 123.8° | 120.0° |
| C07 | C08 | C11 | 120.4° | 119.9° |
| C07 | N01 | S02 | 116.1° | 120.0° |
| C07 | N01 | H18 | 107.8° | 120.0° |
| C08 | C11 | H10 | 109.5° | 109.5° |
| C08 | C11 | H11 | 109.5° | 109.5° |
| C08 | C11 | H12 | 109.5° | 109.5° |
| O01 | S02 | N01 | 112.2° | 106.4° |
| O01 | S02 | O02 | 109.4° | 123.1° |
| O01 | S02 | C12 | 99.7° | 106.4° |
| N01 | S02 | O02 | 112.4° | 106.4° |
| N01 | S02 | C12 | 113.9° | 107.2° |
| S02 | N01 | H18 | 107.8° | 120.0° |
| O02 | S02 | C12 | 108.5° | 106.4° |
| S02 | C12 | C13 | 116.7° | 120.0° |
| S02 | C12 | C17 | 120.3° | 120.0° |
| C12 | C13 | C14 | 117.9° | 120.0° |
| C13 | C12 | C17 | 123.0° | 120.0° |
| C12 | C13 | H13 | 121.0° | 120.0° |
| C13 | C14 | C15 | 121.7° | 120.0° |
| C13 | C14 | H3 | 119.2° | 120.0° |
| C14 | C13 | H13 | 121.1° | 120.0° |
| C12 | C17 | C16 | 118.5° | 120.0° |
| C12 | C17 | H4 | 120.8° | 120.0° |
| C14 | C15 | C16 | 118.8° | 120.0° |
| C14 | C15 | C18 | 118.9° | 120.0° |
| C15 | C14 | H3 | 119.2° | 120.0° |
| C17 | C16 | C15 | 120.1° | 120.0° |
| C16 | C17 | H4 | 120.7° | 120.0° |
| C17 | C16 | H14 | 119.9° | 120.0° |
| C16 | C15 | C18 | 122.3° | 120.0° |
| C15 | C16 | H14 | 119.9° | 120.0° |
| C15 | C18 | H15 | 109.5° | 109.4° |
| C15 | C18 | H16 | 109.4° | 109.5° |
| C15 | C18 | H17 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H10 | C11 | H12 | 109.4° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.4° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H17 | 109.5° | 109.4° |
| H16 | C18 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N02 | C19 | C01 | C02 | 67.1° | 24.3° |
| N02 | C19 | C01 | S01 | 114.2° | 155.4° |
| C19 | C01 | C02 | S01 | 178.9° | 179.8° |
| C19 | C01 | C02 | C03 | 178.8° | 179.7° |
| C19 | C01 | S01 | C04 | 178.8° | 179.7° |
| C19 | C01 | C02 | H7 | 1.1° | 0.3° |
| C01 | C02 | C03 | H7 | 180.0° | 180.0° |
| C02 | C01 | S01 | C04 | 0.1° | 0.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C01 | C02 | C03 | H8 | 179.9° | 180.0° |
| S01 | C01 | C02 | C03 | 0.0° | 0.0° |
| C01 | S01 | C04 | C03 | 0.2° | 0.0° |
| C01 | S01 | C04 | C05 | 179.3° | 180.0° |
| S01 | C01 | C02 | H7 | 180.0° | 180.0° |
| C02 | C03 | C04 | S01 | 0.2° | 0.0° |
| C02 | C03 | C04 | H8 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 179.3° | 180.0° |
| S01 | C04 | C03 | C05 | 179.4° | 180.0° |
| S01 | C04 | C05 | C10 | 0.2° | 180.0° |
| S01 | C04 | C05 | C06 | 179.2° | 0.7° |
| S01 | C04 | C03 | H8 | 179.8° | 180.0° |
| C03 | C04 | C05 | C10 | 179.2° | 0.0° |
| C03 | C04 | C05 | C06 | 0.1° | 179.3° |
| C04 | C03 | C02 | H7 | 179.9° | 180.0° |
| C04 | C05 | C10 | C06 | 179.1° | 179.3° |
| C04 | C05 | C10 | C09 | 179.9° | 180.0° |
| C04 | C05 | C06 | C07 | 179.7° | 179.7° |
| C04 | C05 | C10 | H2 | 0.1° | 0.5° |
| C05 | C04 | C03 | H8 | 0.8° | 0.0° |
| C04 | C05 | C06 | H9 | 0.3° | 0.2° |
| C05 | C10 | C09 | H2 | 180.0° | 179.5° |
| C10 | C05 | C06 | C07 | 0.7° | 0.5° |
| C05 | C10 | C09 | C08 | 0.7° | 0.6° |
| C05 | C10 | C09 | H1 | 179.3° | 179.5° |
| C10 | C05 | C06 | H9 | 179.3° | 179.4° |
| C06 | C05 | C10 | C09 | 0.8° | 0.8° |
| C05 | C06 | C07 | H9 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.3° | 0.0° |
| C05 | C06 | C07 | N01 | 179.5° | 179.8° |
| C06 | C05 | C10 | H2 | 179.2° | 179.8° |
| C10 | C09 | C08 | H1 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 0.3° | 0.1° |
| C10 | C09 | C08 | C11 | 179.7° | 180.0° |
| C06 | C07 | C08 | C09 | 0.1° | 0.2° |
| C06 | C07 | C08 | N01 | 179.1° | 179.7° |
| C06 | C07 | C08 | C11 | 179.9° | 179.7° |
| C06 | C07 | N01 | S02 | 68.6° | 35.6° |
| C06 | C07 | N01 | H18 | 52.4° | 144.4° |
| C09 | C08 | C07 | C11 | 180.0° | 179.9° |
| C09 | C08 | C07 | N01 | 179.2° | 179.9° |
| C08 | C09 | C10 | H2 | 179.3° | 180.0° |
| C09 | C08 | C11 | H10 | 90.0° | 90.1° |
| C09 | C08 | C11 | H11 | 150.0° | 30.0° |
| C09 | C08 | C11 | H12 | 30.0° | 149.9° |
| C08 | C07 | N01 | S02 | 112.3° | 144.7° |
| C07 | C08 | C09 | H1 | 179.7° | 180.0° |
| C08 | C07 | C06 | H9 | 179.7° | 179.9° |
| C07 | C08 | C11 | H10 | 90.0° | 90.0° |
| C07 | C08 | C11 | H11 | 30.0° | 149.9° |
| C07 | C08 | C11 | H12 | 150.0° | 30.0° |
| C08 | C07 | N01 | H18 | 126.7° | 35.3° |
| N01 | C07 | C08 | C11 | 0.8° | 0.0° |
| C07 | N01 | S02 | O01 | 36.9° | 53.2° |
| C07 | N01 | S02 | H18 | 121.0° | 180.0° |
| C07 | N01 | S02 | O02 | 160.6° | 173.9° |
| C07 | N01 | S02 | C12 | 75.5° | 60.4° |
| N01 | C07 | C06 | H9 | 0.6° | 0.3° |
| C11 | C08 | C09 | H1 | 0.3° | 0.1° |
| C08 | C11 | H10 | H11 | 120.0° | 120.0° |
| C08 | C11 | H10 | H12 | 120.0° | 120.0° |
| C08 | C11 | H11 | H12 | 120.0° | 120.0° |
| O01 | S02 | N01 | O02 | 123.7° | 132.9° |
| O01 | S02 | N01 | C12 | 112.3° | 113.5° |
| O01 | S02 | O02 | C12 | 107.8° | 122.9° |
| O01 | S02 | C12 | C13 | 47.5° | 23.3° |
| O01 | S02 | C12 | C17 | 131.4° | 156.4° |
| O01 | S02 | N01 | H18 | 84.1° | 126.8° |
| N01 | S02 | O02 | C12 | 126.9° | 114.1° |
| N01 | S02 | C12 | C13 | 72.2° | 90.3° |
| N01 | S02 | C12 | C17 | 109.0° | 90.0° |
| O02 | S02 | C12 | C13 | 161.8° | 156.2° |
| O02 | S02 | C12 | C17 | 17.1° | 23.6° |
| O02 | S02 | N01 | H18 | 39.6° | 6.1° |
| S02 | C12 | C13 | C17 | 178.8° | 179.7° |
| S02 | C12 | C13 | C14 | 179.1° | 179.7° |
| S02 | C12 | C17 | C16 | 179.0° | 179.7° |
| S02 | C12 | C17 | H4 | 1.0° | 0.3° |
| S02 | C12 | C13 | H13 | 0.9° | 0.3° |
| C12 | S02 | N01 | H18 | 163.5° | 119.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.0° | 0.0° |
| C13 | C12 | C17 | C16 | 2.2° | 0.0° |
| C12 | C13 | C14 | H3 | 179.0° | 179.9° |
| C13 | C12 | C17 | H4 | 177.8° | 180.0° |
| C14 | C13 | C12 | C17 | 2.1° | 0.0° |
| C13 | C14 | C15 | H3 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | C18 | 179.8° | 179.9° |
| C12 | C17 | C16 | H4 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 1.3° | 0.0° |
| C17 | C12 | C13 | H13 | 177.9° | 180.0° |
| C12 | C17 | C16 | H14 | 178.7° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C14 | C15 | C16 | C18 | 180.0° | 179.9° |
| C15 | C14 | C13 | H13 | 179.0° | 180.0° |
| C14 | C15 | C16 | H14 | 179.7° | 179.9° |
| C14 | C15 | C18 | H15 | 90.0° | 90.0° |
| C14 | C15 | C18 | H16 | 150.0° | 150.0° |
| C14 | C15 | C18 | H17 | 30.0° | 29.9° |
| C17 | C16 | C15 | H14 | 180.0° | 179.9° |
| C17 | C16 | C15 | C18 | 179.7° | 179.9° |
| C16 | C15 | C14 | H3 | 179.8° | 179.9° |
| C15 | C16 | C17 | H4 | 178.7° | 180.0° |
| C16 | C15 | C18 | H15 | 90.0° | 90.1° |
| C16 | C15 | C18 | H16 | 30.0° | 29.9° |
| C16 | C15 | C18 | H17 | 150.0° | 149.9° |
| C18 | C15 | C14 | H3 | 0.2° | 0.1° |
| C18 | C15 | C16 | H14 | 0.3° | 0.1° |
| C15 | C18 | H15 | H16 | 120.0° | 120.0° |
| C15 | C18 | H15 | H17 | 120.0° | 120.0° |
| C15 | C18 | H16 | H17 | 120.0° | 120.1° |
| H1 | C09 | C10 | H2 | 0.7° | 0.0° |
| H3 | C14 | C13 | H13 | 1.0° | 0.1° |
| H4 | C17 | C16 | H14 | 1.3° | 0.1° |
| H7 | C02 | C03 | H8 | 0.1° | 0.0° |
| H10 | C11 | H11 | H12 | 120.0° | 120.0° |
| H15 | C18 | H16 | H17 | 120.0° | 119.9° |
