0H7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C20 | sing | 1.74Å | 1.74Å | |
| C19 | C20 | doub | 1.34Å | 1.34Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | S22 | sing | 1.76Å | 1.76Å | Aromatic |
| C18 | C17 | doub | 1.33Å | 1.34Å | Aromatic |
| S22 | C17 | sing | 1.76Å | 1.76Å | Aromatic |
| C17 | C2 | sing | 1.51Å | 1.51Å | |
| S16 | C14 | sing | 1.76Å | 1.75Å | Aromatic |
| S16 | C11 | sing | 1.76Å | 1.75Å | Aromatic |
| CL1 | C14 | sing | 1.74Å | 1.72Å | |
| O1 | C2 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | doub | 1.33Å | 1.33Å | Aromatic |
| C2 | C11 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | doub | 1.33Å | 1.33Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | N5 | sing | 1.47Å | 1.47Å | |
| C3 | C8 | sing | 1.53Å | 1.57Å | |
| C6 | N5 | sing | 1.47Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| N5 | C10 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C20 | C19 | 125.5° | 125.2° |
| CL2 | C20 | S22 | 125.2° | 125.2° |
| C20 | C19 | C18 | 114.8° | 114.9° |
| C19 | C20 | S22 | 109.4° | 109.6° |
| C20 | C19 | H18 | 122.6° | 122.6° |
| C19 | C18 | C17 | 115.2° | 114.9° |
| C19 | C18 | H17 | 122.4° | 122.5° |
| C18 | C19 | H18 | 122.6° | 122.6° |
| C20 | S22 | C17 | 91.5° | 91.0° |
| C18 | C17 | S22 | 109.0° | 109.6° |
| C18 | C17 | C2 | 125.0° | 125.2° |
| C17 | C18 | H17 | 122.4° | 122.6° |
| S22 | C17 | C2 | 124.9° | 125.2° |
| C17 | C2 | O1 | 108.8° | 109.5° |
| C17 | C2 | C11 | 103.8° | 109.5° |
| C17 | C2 | C3 | 113.0° | 109.5° |
| C14 | S16 | C11 | 90.3° | 91.0° |
| S16 | C14 | CL1 | 124.4° | 125.2° |
| S16 | C14 | C13 | 110.5° | 109.6° |
| S16 | C11 | C2 | 124.7° | 125.2° |
| S16 | C11 | C12 | 109.8° | 109.6° |
| CL1 | C14 | C13 | 125.2° | 125.2° |
| O1 | C2 | C11 | 110.7° | 109.4° |
| O1 | C2 | C3 | 111.1° | 109.5° |
| C2 | O1 | H1 | 109.5° | 114.0° |
| C14 | C13 | C12 | 114.4° | 114.9° |
| C14 | C13 | H16 | 122.8° | 122.6° |
| C11 | C2 | C3 | 109.2° | 109.4° |
| C2 | C11 | C12 | 124.8° | 125.2° |
| C2 | C3 | C4 | 111.5° | 109.6° |
| C2 | C3 | C8 | 111.5° | 109.6° |
| C2 | C3 | H2 | 108.2° | 109.6° |
| C11 | C12 | C13 | 114.9° | 114.9° |
| C11 | C12 | H15 | 122.6° | 122.5° |
| C13 | C12 | H15 | 122.6° | 122.5° |
| C12 | C13 | H16 | 122.8° | 122.5° |
| C3 | C4 | N5 | 108.9° | 109.4° |
| C4 | C3 | C8 | 109.1° | 108.8° |
| C4 | C3 | H2 | 108.4° | 109.7° |
| C3 | C4 | H3 | 109.6° | 109.5° |
| C3 | C4 | H4 | 109.6° | 109.5° |
| C4 | N5 | C6 | 110.6° | 111.0° |
| C4 | N5 | C10 | 111.1° | 111.0° |
| N5 | C4 | H3 | 109.6° | 109.5° |
| N5 | C4 | H4 | 109.6° | 109.5° |
| C3 | C8 | C7 | 110.2° | 108.6° |
| C3 | C8 | C9 | 108.1° | 108.6° |
| C8 | C3 | H2 | 108.1° | 109.6° |
| C3 | C8 | H10 | 110.2° | 110.1° |
| N5 | C6 | C7 | 109.6° | 109.4° |
| C6 | N5 | C10 | 111.5° | 111.0° |
| N5 | C6 | H6 | 109.4° | 109.5° |
| N5 | C6 | H7 | 109.4° | 109.5° |
| C6 | C7 | C8 | 108.7° | 108.8° |
| C7 | C6 | H6 | 109.4° | 109.5° |
| C7 | C6 | H7 | 109.5° | 109.5° |
| C6 | C7 | H8 | 109.6° | 109.6° |
| C6 | C7 | H9 | 109.7° | 109.5° |
| N5 | C10 | C9 | 109.8° | 109.4° |
| N5 | C10 | H13 | 109.4° | 109.5° |
| N5 | C10 | H14 | 109.4° | 109.5° |
| C7 | C8 | C9 | 107.3° | 108.6° |
| C8 | C7 | H8 | 109.7° | 109.6° |
| C8 | C7 | H9 | 109.6° | 109.6° |
| C7 | C8 | H10 | 110.4° | 110.1° |
| C8 | C9 | C10 | 108.5° | 108.8° |
| C9 | C8 | H10 | 110.6° | 110.7° |
| C8 | C9 | H11 | 109.7° | 109.6° |
| C8 | C9 | H12 | 109.7° | 109.6° |
| C10 | C9 | H11 | 109.7° | 109.6° |
| C10 | C9 | H12 | 109.7° | 109.6° |
| C9 | C10 | H13 | 109.4° | 109.5° |
| C9 | C10 | H14 | 109.4° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.7° |
| H11 | C9 | H12 | 109.5° | 109.6° |
| H13 | C10 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C20 | C19 | S22 | 179.3° | 179.7° |
| CL2 | C20 | C19 | C18 | 179.6° | 179.9° |
| CL2 | C20 | S22 | C17 | 177.2° | 180.0° |
| CL2 | C20 | C19 | H18 | 0.4° | 0.4° |
| C20 | C19 | C18 | H18 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 3.7° | 0.0° |
| C19 | C20 | S22 | C17 | 2.1° | 0.4° |
| C20 | C19 | C18 | H17 | 176.3° | 179.9° |
| C18 | C19 | C20 | S22 | 0.4° | 0.3° |
| C19 | C18 | C17 | H17 | 180.0° | 179.9° |
| C19 | C18 | C17 | S22 | 5.1° | 0.3° |
| C19 | C18 | C17 | C2 | 173.3° | 179.9° |
| C20 | S22 | C17 | C18 | 4.0° | 0.4° |
| C20 | S22 | C17 | C2 | 172.3° | 180.0° |
| S22 | C20 | C19 | H18 | 179.6° | 179.9° |
| C18 | C17 | S22 | C2 | 168.2° | 179.7° |
| C18 | C17 | C2 | O1 | 20.4° | 5.0° |
| C18 | C17 | C2 | C11 | 97.5° | 115.0° |
| C18 | C17 | C2 | C3 | 144.3° | 125.0° |
| C17 | C18 | C19 | H18 | 176.3° | 179.7° |
| S22 | C17 | C2 | O1 | 173.2° | 174.6° |
| S22 | C17 | C2 | C11 | 68.9° | 65.4° |
| S22 | C17 | C2 | C3 | 49.3° | 54.6° |
| S22 | C17 | C18 | H17 | 174.9° | 179.8° |
| C17 | C2 | C11 | S16 | 87.6° | 89.7° |
| C17 | C2 | O1 | C11 | 113.5° | 120.0° |
| C17 | C2 | O1 | C3 | 125.0° | 120.1° |
| C17 | C2 | C11 | C3 | 120.8° | 120.0° |
| C17 | C2 | C11 | C12 | 81.9° | 90.0° |
| C17 | C2 | C3 | C4 | 62.9° | 67.0° |
| C17 | C2 | C3 | C8 | 174.9° | 173.7° |
| C17 | C2 | O1 | H1 | 180.0° | 60.1° |
| C17 | C2 | C3 | H2 | 56.2° | 53.4° |
| C2 | C17 | C18 | H17 | 6.7° | 0.1° |
| S16 | C14 | CL1 | C13 | 179.9° | 179.8° |
| C14 | S16 | C11 | C2 | 173.5° | 180.0° |
| C14 | S16 | C11 | C12 | 2.7° | 0.3° |
| S16 | C14 | C13 | C12 | 0.4° | 0.2° |
| S16 | C14 | C13 | H16 | 179.6° | 179.8° |
| C11 | S16 | C14 | CL1 | 178.8° | 179.9° |
| S16 | C11 | C2 | O1 | 29.0° | 150.3° |
| C11 | S16 | C14 | C13 | 1.3° | 0.3° |
| S16 | C11 | C2 | C12 | 169.5° | 179.7° |
| S16 | C11 | C2 | C3 | 151.6° | 30.3° |
| S16 | C11 | C12 | C13 | 3.5° | 0.3° |
| S16 | C11 | C12 | H15 | 176.5° | 179.8° |
| CL1 | C14 | C13 | C12 | 179.5° | 180.0° |
| CL1 | C14 | C13 | H16 | 0.5° | 0.0° |
| O1 | C2 | C11 | C3 | 122.6° | 120.0° |
| O1 | C2 | C11 | C12 | 161.5° | 30.0° |
| O1 | C2 | C3 | C4 | 59.7° | 53.0° |
| O1 | C2 | C3 | C8 | 62.5° | 66.3° |
| O1 | C2 | C3 | H2 | 178.8° | 173.4° |
| C14 | C13 | C12 | C11 | 2.6° | 0.1° |
| C14 | C13 | C12 | H16 | 180.0° | 179.9° |
| C14 | C13 | C12 | H15 | 177.4° | 180.0° |
| C2 | C11 | C12 | C13 | 174.3° | 180.0° |
| C11 | C2 | C3 | C4 | 178.0° | 173.0° |
| C11 | C2 | C3 | C8 | 59.9° | 53.7° |
| C11 | C2 | O1 | H1 | 66.5° | 180.0° |
| C11 | C2 | C3 | H2 | 58.9° | 66.6° |
| C2 | C11 | C12 | H15 | 5.6° | 0.1° |
| C3 | C2 | C11 | C12 | 38.9° | 150.0° |
| C2 | C3 | C4 | C8 | 123.5° | 119.8° |
| C2 | C3 | C4 | H2 | 119.0° | 120.4° |
| C2 | C3 | C4 | N5 | 125.3° | 119.8° |
| C2 | C3 | C8 | H2 | 118.8° | 120.3° |
| C2 | C3 | C8 | C7 | 67.1° | 60.8° |
| C2 | C3 | C8 | C9 | 176.0° | 178.8° |
| C3 | C2 | O1 | H1 | 55.0° | 60.0° |
| C2 | C3 | C4 | H3 | 114.7° | 120.2° |
| C2 | C3 | C4 | H4 | 5.4° | 0.2° |
| C2 | C3 | C8 | H10 | 55.0° | 59.8° |
| C11 | C12 | C13 | H15 | 180.0° | 179.9° |
| C11 | C12 | C13 | H16 | 177.4° | 180.0° |
| C3 | C4 | N5 | H3 | 119.9° | 120.0° |
| C3 | C4 | N5 | H4 | 119.9° | 120.0° |
| C4 | C3 | C8 | H2 | 117.7° | 119.9° |
| C3 | C4 | N5 | C6 | 63.5° | 62.0° |
| C3 | C4 | N5 | C10 | 60.8° | 62.0° |
| C4 | C3 | C8 | C7 | 56.5° | 59.0° |
| C4 | C3 | C8 | C9 | 60.4° | 59.0° |
| C3 | C4 | H3 | H4 | 120.2° | 120.0° |
| C4 | C3 | C8 | H10 | 178.6° | 179.6° |
| N5 | C4 | C3 | C8 | 1.8° | 0.0° |
| C4 | N5 | C6 | C10 | 124.1° | 124.0° |
| C4 | N5 | C6 | C7 | 65.3° | 62.0° |
| C4 | N5 | C10 | C9 | 63.5° | 61.9° |
| N5 | C4 | C3 | H2 | 115.7° | 119.8° |
| N5 | C4 | H3 | H4 | 120.3° | 120.0° |
| C4 | N5 | C6 | H6 | 174.7° | 178.1° |
| C4 | N5 | C6 | H7 | 54.8° | 58.1° |
| C4 | N5 | C10 | H13 | 56.5° | 58.1° |
| C4 | N5 | C10 | H14 | 176.4° | 178.1° |
| C3 | C8 | C7 | C6 | 55.0° | 59.0° |
| C3 | C8 | C7 | C9 | 117.4° | 118.0° |
| C3 | C8 | C7 | H10 | 121.9° | 120.6° |
| C3 | C8 | C9 | H10 | 120.7° | 121.0° |
| C3 | C8 | C9 | C10 | 57.9° | 59.0° |
| C8 | C3 | C4 | H3 | 121.7° | 120.0° |
| C8 | C3 | C4 | H4 | 118.1° | 120.0° |
| C3 | C8 | C7 | H8 | 174.9° | 178.8° |
| C3 | C8 | C7 | H9 | 64.9° | 60.7° |
| C3 | C8 | C9 | H11 | 177.7° | 178.8° |
| C3 | C8 | C9 | H12 | 61.9° | 60.9° |
| N5 | C6 | C7 | H6 | 120.0° | 119.9° |
| N5 | C6 | C7 | H7 | 120.0° | 120.0° |
| N5 | C6 | C7 | C8 | 3.5° | 0.0° |
| C6 | N5 | C10 | C9 | 60.3° | 62.0° |
| C6 | N5 | C4 | H3 | 176.6° | 178.1° |
| C6 | N5 | C4 | H4 | 56.4° | 58.0° |
| N5 | C6 | H6 | H7 | 119.9° | 120.1° |
| N5 | C6 | C7 | H8 | 116.4° | 119.9° |
| N5 | C6 | C7 | H9 | 123.4° | 119.8° |
| C6 | N5 | C10 | H13 | 179.6° | 178.0° |
| C6 | N5 | C10 | H14 | 59.7° | 57.9° |
| C7 | C6 | N5 | C10 | 58.9° | 62.0° |
| C6 | C7 | C8 | H8 | 119.9° | 119.8° |
| C6 | C7 | C8 | H9 | 119.9° | 119.7° |
| C6 | C7 | C8 | C9 | 62.5° | 59.0° |
| C7 | C6 | H6 | H7 | 119.9° | 120.1° |
| C6 | C7 | H8 | H9 | 120.3° | 120.2° |
| C6 | C7 | C8 | H10 | 176.9° | 179.6° |
| N5 | C10 | C9 | C8 | 1.3° | 0.0° |
| N5 | C10 | C9 | H13 | 120.1° | 120.0° |
| N5 | C10 | C9 | H14 | 120.1° | 119.9° |
| C10 | N5 | C4 | H3 | 59.1° | 58.0° |
| C10 | N5 | C4 | H4 | 179.2° | 178.0° |
| C10 | N5 | C6 | H6 | 61.2° | 57.9° |
| C10 | N5 | C6 | H7 | 178.9° | 177.9° |
| N5 | C10 | C9 | H11 | 118.5° | 119.9° |
| N5 | C10 | C9 | H12 | 121.1° | 119.8° |
| N5 | C10 | H13 | H14 | 119.9° | 120.0° |
| C7 | C8 | C9 | H10 | 120.5° | 121.0° |
| C7 | C8 | C9 | C10 | 60.9° | 58.9° |
| C7 | C8 | C3 | H2 | 174.1° | 178.9° |
| C8 | C7 | C6 | H6 | 123.5° | 119.9° |
| C8 | C7 | C6 | H7 | 116.5° | 120.1° |
| C8 | C7 | H8 | H9 | 120.4° | 120.4° |
| C7 | C8 | C9 | H11 | 58.9° | 60.9° |
| C7 | C8 | C9 | H12 | 179.3° | 178.8° |
| C8 | C9 | C10 | H11 | 119.8° | 119.8° |
| C8 | C9 | C10 | H12 | 119.8° | 119.9° |
| C9 | C8 | C3 | H2 | 57.2° | 60.9° |
| C9 | C8 | C7 | H8 | 57.4° | 60.9° |
| C9 | C8 | C7 | H9 | 177.7° | 178.7° |
| C8 | C9 | H11 | H12 | 120.5° | 120.3° |
| C8 | C9 | C10 | H13 | 118.8° | 120.0° |
| C8 | C9 | C10 | H14 | 121.4° | 119.9° |
| C10 | C9 | C8 | H10 | 178.6° | 180.0° |
| C10 | C9 | H11 | H12 | 120.5° | 120.3° |
| C9 | C10 | H13 | H14 | 119.9° | 120.1° |
| H2 | C3 | C4 | H3 | 4.3° | 0.1° |
| H2 | C3 | C4 | H4 | 124.4° | 120.2° |
| H2 | C3 | C8 | H10 | 63.8° | 60.5° |
| H6 | C6 | C7 | H8 | 3.6° | 0.0° |
| H6 | C6 | C7 | H9 | 116.6° | 120.3° |
| H7 | C6 | C7 | H8 | 123.6° | 120.1° |
| H7 | C6 | C7 | H9 | 3.3° | 0.3° |
| H8 | C7 | C8 | H10 | 63.2° | 60.5° |
| H9 | C7 | C8 | H10 | 57.1° | 59.9° |
| H10 | C8 | C9 | H11 | 61.6° | 60.2° |
| H10 | C8 | C9 | H12 | 58.8° | 60.1° |
| H11 | C9 | C10 | H13 | 121.4° | 120.1° |
| H11 | C9 | C10 | H14 | 1.5° | 0.1° |
| H12 | C9 | C10 | H13 | 1.1° | 0.2° |
| H12 | C9 | C10 | H14 | 118.8° | 120.2° |
| H15 | C12 | C13 | H16 | 2.7° | 0.1° |
| H17 | C18 | C19 | H18 | 3.7° | 0.3° |
