74Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S8 | C7 | sing | 1.76Å | 1.75Å | Aromatic |
| S8 | C9 | sing | 1.76Å | 1.75Å | Aromatic |
| N6 | C7 | doub | 1.34Å | 1.35Å | Aromatic |
| N6 | C5 | sing | 1.31Å | 1.32Å | Aromatic |
| C7 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C9 | C10 | sing | 1.52Å | 1.53Å | |
| C9 | C14 | doub | 1.33Å | 1.34Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.46Å | 1.47Å | Aromatic |
| C15 | C3 | doub | 1.42Å | 1.43Å | Aromatic |
| N4 | C3 | sing | 1.33Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.52Å | 1.53Å | |
| C12 | C11 | sing | 1.52Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C3 | N2 | sing | 1.38Å | 1.39Å | |
| C17 | C18 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.34Å | 1.34Å | Aromatic |
| N2 | C1 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | doub | 1.34Å | 1.34Å | Aromatic |
| C1 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | O20 | sing | 1.34Å | 1.35Å | Aromatic |
| C19 | O20 | sing | 1.34Å | 1.34Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | S8 | C9 | 93.2° | 92.5° |
| S8 | C7 | N6 | 130.5° | 131.2° |
| S8 | C7 | C15 | 109.4° | 109.6° |
| S8 | C9 | C10 | 123.6° | 124.3° |
| S8 | C9 | C14 | 111.3° | 111.4° |
| C7 | N6 | C5 | 121.0° | 120.9° |
| N6 | C7 | C15 | 120.1° | 119.2° |
| N6 | C5 | N4 | 121.6° | 122.2° |
| N6 | C5 | H1 | 119.2° | 118.9° |
| C7 | C15 | C14 | 112.4° | 112.7° |
| C7 | C15 | C3 | 116.4° | 117.7° |
| C5 | N4 | C3 | 121.7° | 121.1° |
| N4 | C5 | H1 | 119.2° | 118.9° |
| C10 | C9 | C14 | 125.1° | 124.3° |
| C9 | C10 | C11 | 111.9° | 108.8° |
| C9 | C10 | H2 | 108.8° | 109.6° |
| C9 | C10 | H3 | 108.9° | 109.6° |
| C9 | C14 | C15 | 113.7° | 113.8° |
| C9 | C14 | C13 | 121.4° | 123.4° |
| C10 | C11 | C12 | 111.9° | 109.2° |
| C11 | C10 | H2 | 108.9° | 109.6° |
| C11 | C10 | H3 | 108.9° | 109.6° |
| C10 | C11 | H10 | 108.9° | 109.6° |
| C10 | C11 | H11 | 108.9° | 109.6° |
| C14 | C15 | C3 | 131.2° | 129.6° |
| C15 | C14 | C13 | 125.0° | 122.8° |
| C15 | C3 | N4 | 119.1° | 118.9° |
| C15 | C3 | N2 | 119.0° | 120.6° |
| N4 | C3 | N2 | 121.9° | 120.5° |
| C14 | C13 | C12 | 110.0° | 108.9° |
| C14 | C13 | H4 | 109.3° | 109.5° |
| C14 | C13 | H5 | 109.3° | 109.6° |
| C11 | C12 | C13 | 109.3° | 109.5° |
| C12 | C11 | H10 | 108.8° | 109.7° |
| C12 | C11 | H11 | 108.9° | 109.3° |
| C11 | C12 | H12 | 109.5° | 109.6° |
| C11 | C12 | H13 | 109.5° | 109.5° |
| C12 | C13 | H4 | 109.3° | 109.5° |
| C12 | C13 | H5 | 109.3° | 109.7° |
| C13 | C12 | H12 | 109.5° | 109.6° |
| C13 | C12 | H13 | 109.5° | 109.1° |
| C3 | N2 | C1 | 124.1° | 120.0° |
| C3 | N2 | H9 | 105.7° | 120.0° |
| C18 | C17 | C16 | 106.4° | 106.9° |
| C17 | C18 | C19 | 107.5° | 106.8° |
| C18 | C17 | H6 | 126.8° | 126.6° |
| C17 | C18 | H14 | 126.3° | 126.6° |
| C17 | C16 | C1 | 126.5° | 125.8° |
| C17 | C16 | O20 | 108.6° | 108.4° |
| C16 | C17 | H6 | 126.8° | 126.5° |
| N2 | C1 | C16 | 109.5° | 109.5° |
| N2 | C1 | H7 | 109.5° | 109.5° |
| N2 | C1 | H8 | 109.5° | 109.5° |
| C1 | N2 | H9 | 105.7° | 120.0° |
| C18 | C19 | O20 | 108.1° | 108.4° |
| C19 | C18 | H14 | 126.3° | 126.6° |
| C18 | C19 | H15 | 126.0° | 125.8° |
| C1 | C16 | O20 | 124.9° | 125.8° |
| C16 | C1 | H7 | 109.5° | 109.4° |
| C16 | C1 | H8 | 109.5° | 109.5° |
| C16 | O20 | C19 | 109.4° | 109.5° |
| O20 | C19 | H15 | 125.9° | 125.8° |
| H2 | C10 | H3 | 109.5° | 109.6° |
| H4 | C13 | H5 | 109.5° | 109.6° |
| H7 | C1 | H8 | 109.5° | 109.4° |
| H10 | C11 | H11 | 109.4° | 109.6° |
| H12 | C12 | H13 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S8 | C7 | N6 | C15 | 179.9° | 179.8° |
| S8 | C7 | N6 | C5 | 179.8° | 179.7° |
| C7 | S8 | C9 | C10 | 179.5° | 180.0° |
| C7 | S8 | C9 | C14 | 0.2° | 0.3° |
| S8 | C7 | C15 | C14 | 0.2° | 0.2° |
| S8 | C7 | C15 | C3 | 179.9° | 179.9° |
| C9 | S8 | C7 | N6 | 179.9° | 179.8° |
| C9 | S8 | C7 | C15 | 0.0° | 0.0° |
| S8 | C9 | C10 | C14 | 179.2° | 179.7° |
| S8 | C9 | C10 | C11 | 175.1° | 163.2° |
| S8 | C9 | C14 | C15 | 0.3° | 0.4° |
| S8 | C9 | C14 | C13 | 179.5° | 179.9° |
| S8 | C9 | C10 | H2 | 54.8° | 76.9° |
| S8 | C9 | C10 | H3 | 64.5° | 43.4° |
| C7 | N6 | C5 | N4 | 0.1° | 0.0° |
| N6 | C7 | C15 | C14 | 179.7° | 179.9° |
| N6 | C7 | C15 | C3 | 0.0° | 0.1° |
| C7 | N6 | C5 | H1 | 179.9° | 179.7° |
| C5 | N6 | C7 | C15 | 0.1° | 0.1° |
| N6 | C5 | N4 | H1 | 180.0° | 179.7° |
| N6 | C5 | N4 | C3 | 0.1° | 0.3° |
| C7 | C15 | C14 | C9 | 0.3° | 0.4° |
| C7 | C15 | C14 | C3 | 179.6° | 179.8° |
| C7 | C15 | C3 | N4 | 0.1° | 0.4° |
| C7 | C15 | C14 | C13 | 179.5° | 179.9° |
| C7 | C15 | C3 | N2 | 179.9° | 179.9° |
| C5 | N4 | C3 | C15 | 0.2° | 0.5° |
| C5 | N4 | C3 | N2 | 179.9° | 180.0° |
| C9 | C10 | C11 | H2 | 120.4° | 119.8° |
| C9 | C10 | C11 | H3 | 120.4° | 119.8° |
| C10 | C9 | C14 | C15 | 179.6° | 179.8° |
| C10 | C9 | C14 | C13 | 0.2° | 0.2° |
| C9 | C10 | C11 | C12 | 36.4° | 49.8° |
| C9 | C10 | H2 | H3 | 118.9° | 120.3° |
| C9 | C10 | C11 | H10 | 83.9° | 169.9° |
| C9 | C10 | C11 | H11 | 156.8° | 69.8° |
| C14 | C9 | C10 | C11 | 5.7° | 16.5° |
| C9 | C14 | C15 | C13 | 179.8° | 179.7° |
| C9 | C14 | C15 | C3 | 180.0° | 179.7° |
| C9 | C14 | C13 | C12 | 25.3° | 16.8° |
| C14 | C9 | C10 | H2 | 126.0° | 103.3° |
| C14 | C9 | C10 | H3 | 114.7° | 136.3° |
| C9 | C14 | C13 | H4 | 145.4° | 136.6° |
| C9 | C14 | C13 | H5 | 94.8° | 103.2° |
| C10 | C11 | C12 | H10 | 120.4° | 120.1° |
| C10 | C11 | C12 | H11 | 120.4° | 119.8° |
| C10 | C11 | C12 | C13 | 62.4° | 70.0° |
| C11 | C10 | H2 | H3 | 118.9° | 120.3° |
| C10 | C11 | H10 | H11 | 118.9° | 120.2° |
| C10 | C11 | C12 | H12 | 177.6° | 169.7° |
| C10 | C11 | C12 | H13 | 57.5° | 49.6° |
| C14 | C15 | C3 | N4 | 179.5° | 179.8° |
| C15 | C14 | C13 | C12 | 154.5° | 162.9° |
| C14 | C15 | C3 | N2 | 0.4° | 0.3° |
| C15 | C14 | C13 | H4 | 34.4° | 43.1° |
| C15 | C14 | C13 | H5 | 85.4° | 77.2° |
| C15 | C3 | N4 | N2 | 180.0° | 179.5° |
| C3 | C15 | C14 | C13 | 0.2° | 0.1° |
| C15 | C3 | N2 | C1 | 169.5° | 174.5° |
| C15 | C3 | N2 | H9 | 47.5° | 5.5° |
| N4 | C3 | N2 | C1 | 10.6° | 5.1° |
| C3 | N4 | C5 | H1 | 179.9° | 180.0° |
| N4 | C3 | N2 | H9 | 132.6° | 175.0° |
| C14 | C13 | C12 | C11 | 54.9° | 50.3° |
| C14 | C13 | C12 | H4 | 120.1° | 119.8° |
| C14 | C13 | C12 | H5 | 120.1° | 119.9° |
| C14 | C13 | H4 | H5 | 119.7° | 120.2° |
| C14 | C13 | C12 | H12 | 174.9° | 170.5° |
| C14 | C13 | C12 | H13 | 65.0° | 69.5° |
| C11 | C12 | C13 | H12 | 120.0° | 120.2° |
| C11 | C12 | C13 | H13 | 120.0° | 119.8° |
| C12 | C11 | C10 | H2 | 156.8° | 70.0° |
| C12 | C11 | C10 | H3 | 83.9° | 169.6° |
| C11 | C12 | C13 | H4 | 175.0° | 170.1° |
| C11 | C12 | C13 | H5 | 65.1° | 69.6° |
| C12 | C11 | H10 | H11 | 118.9° | 119.9° |
| C11 | C12 | H12 | H13 | 120.1° | 120.1° |
| C12 | C13 | H4 | H5 | 119.7° | 120.4° |
| C13 | C12 | C11 | H10 | 58.0° | 169.9° |
| C13 | C12 | C11 | H11 | 177.2° | 49.8° |
| C13 | C12 | H12 | H13 | 120.1° | 119.7° |
| C3 | N2 | C1 | H9 | 122.0° | 179.9° |
| C3 | N2 | C1 | C16 | 151.3° | 180.0° |
| C3 | N2 | C1 | H7 | 31.3° | 60.1° |
| C3 | N2 | C1 | H8 | 88.7° | 59.9° |
| C18 | C17 | C16 | H6 | 180.0° | 179.7° |
| C17 | C18 | C19 | H14 | 180.0° | 180.0° |
| C18 | C17 | C16 | C1 | 180.0° | 179.9° |
| C18 | C17 | C16 | O20 | 0.0° | 0.0° |
| C17 | C18 | C19 | O20 | 0.6° | 0.0° |
| C17 | C18 | C19 | H15 | 179.4° | 180.0° |
| C17 | C16 | C1 | N2 | 33.6° | 89.9° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C17 | C16 | C1 | O20 | 179.9° | 179.9° |
| C17 | C16 | O20 | C19 | 0.3° | 0.0° |
| C17 | C16 | C1 | H7 | 86.4° | 30.1° |
| C17 | C16 | C1 | H8 | 153.6° | 150.0° |
| C16 | C17 | C18 | H14 | 179.6° | 180.0° |
| N2 | C1 | C16 | H7 | 120.0° | 120.0° |
| N2 | C1 | C16 | H8 | 120.0° | 120.1° |
| N2 | C1 | C16 | O20 | 146.4° | 90.0° |
| N2 | C1 | H7 | H8 | 120.0° | 120.1° |
| C18 | C19 | O20 | C16 | 0.6° | 0.0° |
| C18 | C19 | O20 | H15 | 180.0° | 180.0° |
| C19 | C18 | C17 | H6 | 179.6° | 179.7° |
| C1 | C16 | O20 | C19 | 179.6° | 179.9° |
| C1 | C16 | C17 | H6 | 0.0° | 0.2° |
| C16 | C1 | H7 | H8 | 120.0° | 119.9° |
| C16 | C1 | N2 | H9 | 86.6° | 0.1° |
| O20 | C16 | C17 | H6 | 180.0° | 179.7° |
| O20 | C16 | C1 | H7 | 93.6° | 150.1° |
| O20 | C16 | C1 | H8 | 26.4° | 30.2° |
| C16 | O20 | C19 | H15 | 179.4° | 180.0° |
| O20 | C19 | C18 | H14 | 179.4° | 180.0° |
| H2 | C10 | C11 | H10 | 36.4° | 50.1° |
| H2 | C10 | C11 | H11 | 82.8° | 170.3° |
| H3 | C10 | C11 | H10 | 155.7° | 70.3° |
| H3 | C10 | C11 | H11 | 36.4° | 50.0° |
| H4 | C13 | C12 | H12 | 65.0° | 69.7° |
| H4 | C13 | C12 | H13 | 55.1° | 50.3° |
| H5 | C13 | C12 | H12 | 54.8° | 50.6° |
| H5 | C13 | C12 | H13 | 174.9° | 170.6° |
| H6 | C17 | C18 | H14 | 0.4° | 0.3° |
| H7 | C1 | N2 | H9 | 153.4° | 120.0° |
| H8 | C1 | N2 | H9 | 33.4° | 120.0° |
| H10 | C11 | C12 | H12 | 62.0° | 49.7° |
| H10 | C11 | C12 | H13 | 177.9° | 70.5° |
| H11 | C11 | C12 | H12 | 57.2° | 70.4° |
| H11 | C11 | C12 | H13 | 62.8° | 169.4° |
| H14 | C18 | C19 | H15 | 0.6° | 0.0° |
