74L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| O19 | S18 | doub | 1.42Å | 1.43Å | |
| C23 | N21 | sing | 1.46Å | 1.47Å | |
| C33 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C25 | sing | 1.51Å | 1.52Å | |
| N21 | S18 | sing | 1.66Å | 1.66Å | |
| N21 | C22 | sing | 1.47Å | 1.47Å | |
| S18 | O20 | doub | 1.42Å | 1.43Å | |
| S18 | N16 | sing | 1.66Å | 1.66Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | C3 | sing | 1.51Å | 1.52Å | |
| N16 | C17 | sing | 1.35Å | 1.35Å | Aromatic |
| N16 | N15 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C17 | C13 | doub | 1.37Å | 1.37Å | Aromatic |
| C3 | N4 | doub | 1.31Å | 1.31Å | Aromatic |
| C3 | N2 | sing | 1.35Å | 1.36Å | Aromatic |
| N4 | C5 | sing | 1.34Å | 1.34Å | Aromatic |
| N15 | C14 | doub | 1.31Å | 1.31Å | Aromatic |
| C13 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | C11 | sing | 1.48Å | 1.50Å | |
| N2 | C1 | sing | 1.47Å | 1.47Å | |
| N2 | N6 | sing | 1.40Å | 1.41Å | Aromatic |
| N12 | C11 | doub | 1.33Å | 1.33Å | Aromatic |
| N12 | C7 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | N6 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.49Å | |
| C11 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | N24 | sing | 1.39Å | 1.38Å | |
| C10 | N9 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.08Å | 1.08Å | |
| C31 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.08Å | 1.08Å | |
| C33 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| N24 | H19 | sing | 0.97Å | 1.00Å | |
| N24 | H20 | sing | 0.97Å | 1.00Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C31 | C32 | 119.6° | 120.0° |
| C31 | C30 | C29 | 120.8° | 120.0° |
| C31 | C30 | H11 | 119.6° | 120.0° |
| C30 | C31 | H12 | 120.2° | 120.0° |
| C31 | C32 | C33 | 119.4° | 120.0° |
| C32 | C31 | H12 | 120.2° | 120.0° |
| C31 | C32 | H13 | 120.3° | 120.1° |
| C30 | C29 | C28 | 120.5° | 119.9° |
| C29 | C30 | H11 | 119.6° | 119.9° |
| C30 | C29 | H23 | 119.8° | 120.0° |
| C32 | C33 | C28 | 121.8° | 120.0° |
| C33 | C32 | H13 | 120.3° | 120.0° |
| C32 | C33 | H14 | 119.1° | 120.0° |
| C29 | C28 | C33 | 118.0° | 120.0° |
| C29 | C28 | C25 | 122.1° | 120.0° |
| C28 | C29 | H23 | 119.8° | 120.0° |
| O19 | S18 | N21 | 107.7° | 106.4° |
| O19 | S18 | O20 | 121.0° | 123.2° |
| O19 | S18 | N16 | 107.3° | 106.4° |
| C23 | N21 | S18 | 120.8° | 120.0° |
| C23 | N21 | C22 | 118.8° | 120.0° |
| N21 | C23 | H16 | 109.5° | 109.5° |
| N21 | C23 | H17 | 109.5° | 109.4° |
| N21 | C23 | H18 | 109.4° | 109.4° |
| C33 | C28 | C25 | 119.9° | 120.0° |
| C28 | C33 | H14 | 119.1° | 120.0° |
| C28 | C25 | C27 | 118.6° | 117.5° |
| C28 | C25 | C26 | 118.9° | 117.5° |
| C28 | C25 | C3 | 114.0° | 115.5° |
| S18 | N21 | C22 | 120.4° | 120.0° |
| N21 | S18 | O20 | 106.5° | 106.4° |
| N21 | S18 | N16 | 109.8° | 107.2° |
| N21 | C22 | H6 | 109.5° | 109.5° |
| N21 | C22 | H7 | 109.4° | 109.4° |
| N21 | C22 | H8 | 109.5° | 109.5° |
| O20 | S18 | N16 | 104.1° | 106.4° |
| S18 | N16 | C17 | 127.4° | 125.9° |
| S18 | N16 | N15 | 124.7° | 125.9° |
| C27 | C25 | C26 | 59.3° | 60.0° |
| C27 | C25 | C3 | 115.9° | 117.5° |
| C25 | C27 | C26 | 60.4° | 60.0° |
| C25 | C27 | H9 | 119.9° | 117.5° |
| C25 | C27 | H10 | 119.9° | 117.5° |
| C26 | C25 | C3 | 119.5° | 117.5° |
| C25 | C26 | C27 | 60.3° | 60.0° |
| C25 | C26 | H21 | 120.0° | 117.5° |
| C25 | C26 | H22 | 119.9° | 117.5° |
| C25 | C3 | N4 | 123.1° | 125.9° |
| C25 | C3 | N2 | 129.5° | 125.8° |
| C17 | N16 | N15 | 107.8° | 108.2° |
| N16 | C17 | C13 | 108.4° | 107.6° |
| N16 | C17 | H15 | 125.8° | 126.2° |
| N16 | N15 | C14 | 108.5° | 108.5° |
| C26 | C27 | H9 | 119.9° | 117.5° |
| C26 | C27 | H10 | 119.9° | 117.5° |
| C27 | C26 | H21 | 120.0° | 117.5° |
| C27 | C26 | H22 | 119.9° | 117.5° |
| C17 | C13 | C14 | 106.3° | 107.5° |
| C17 | C13 | C11 | 125.5° | 126.3° |
| C13 | C17 | H15 | 125.8° | 126.2° |
| N4 | C3 | N2 | 107.3° | 108.3° |
| C3 | N4 | C5 | 111.0° | 109.8° |
| C3 | N2 | C1 | 129.6° | 126.7° |
| C3 | N2 | N6 | 106.3° | 106.5° |
| N4 | C5 | N6 | 107.8° | 108.7° |
| N4 | C5 | C7 | 124.8° | 125.7° |
| N15 | C14 | C13 | 109.0° | 108.1° |
| N15 | C14 | H5 | 125.5° | 125.9° |
| C14 | C13 | C11 | 128.2° | 126.2° |
| C13 | C14 | H5 | 125.5° | 126.0° |
| C13 | C11 | N12 | 117.0° | 120.1° |
| C13 | C11 | C10 | 124.8° | 120.1° |
| C1 | N2 | N6 | 124.1° | 126.8° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.4° | 109.5° |
| N2 | C1 | H3 | 109.4° | 109.4° |
| N2 | N6 | C5 | 107.5° | 106.7° |
| C11 | N12 | C7 | 122.1° | 119.9° |
| N12 | C11 | C10 | 118.2° | 119.8° |
| N12 | C7 | C5 | 119.0° | 120.0° |
| N12 | C7 | C8 | 118.7° | 120.1° |
| N6 | C5 | C7 | 127.2° | 125.7° |
| C5 | C7 | C8 | 122.1° | 120.0° |
| C11 | C10 | N24 | 123.2° | 120.0° |
| C11 | C10 | N9 | 119.5° | 119.9° |
| C7 | C8 | N9 | 120.0° | 120.2° |
| C7 | C8 | H4 | 120.0° | 119.9° |
| N24 | C10 | N9 | 117.2° | 120.1° |
| C10 | N24 | H19 | 109.5° | 120.0° |
| C10 | N24 | H20 | 109.5° | 120.1° |
| C10 | N9 | C8 | 121.3° | 120.1° |
| N9 | C8 | H4 | 120.0° | 119.9° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H6 | C22 | H8 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H9 | C27 | H10 | 109.5° | 115.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H19 | N24 | H20 | 109.5° | 120.0° |
| H21 | C26 | H22 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C31 | C32 | H12 | 180.0° | 179.9° |
| C31 | C30 | C29 | H11 | 180.0° | 179.7° |
| C30 | C31 | C32 | C33 | 1.8° | 0.1° |
| C31 | C30 | C29 | C28 | 0.3° | 0.0° |
| C30 | C31 | C32 | H13 | 178.1° | 180.0° |
| C31 | C30 | C29 | H23 | 179.7° | 179.7° |
| C32 | C31 | C30 | C29 | 0.6° | 0.0° |
| C31 | C32 | C33 | H13 | 180.0° | 180.0° |
| C31 | C32 | C33 | C28 | 2.3° | 0.0° |
| C32 | C31 | C30 | H11 | 179.4° | 179.7° |
| C31 | C32 | C33 | H14 | 177.7° | 180.0° |
| C30 | C29 | C28 | H23 | 180.0° | 179.7° |
| C30 | C29 | C28 | C33 | 0.1° | 0.1° |
| C30 | C29 | C28 | C25 | 179.8° | 180.0° |
| C29 | C30 | C31 | H12 | 179.5° | 180.0° |
| C32 | C33 | C28 | C29 | 1.4° | 0.0° |
| C32 | C33 | C28 | H14 | 180.0° | 180.0° |
| C32 | C33 | C28 | C25 | 178.9° | 179.9° |
| C33 | C32 | C31 | H12 | 178.2° | 180.0° |
| C29 | C28 | C33 | C25 | 179.7° | 179.9° |
| C29 | C28 | C25 | C27 | 32.9° | 6.2° |
| C29 | C28 | C25 | C26 | 35.8° | 74.8° |
| C29 | C28 | C25 | C3 | 174.8° | 139.6° |
| C28 | C29 | C30 | H11 | 179.7° | 179.6° |
| C29 | C28 | C33 | H14 | 178.6° | 179.9° |
| O19 | S18 | N21 | C23 | 6.5° | 156.5° |
| O19 | S18 | N21 | O20 | 131.3° | 132.9° |
| O19 | S18 | N21 | N16 | 116.6° | 113.6° |
| O19 | S18 | N21 | C22 | 171.1° | 23.5° |
| O19 | S18 | O20 | N16 | 120.6° | 123.0° |
| O19 | S18 | N16 | C17 | 56.9° | 36.4° |
| O19 | S18 | N16 | N15 | 121.0° | 143.0° |
| C23 | N21 | S18 | C22 | 177.6° | 180.0° |
| C23 | N21 | S18 | O20 | 137.8° | 23.5° |
| C23 | N21 | S18 | N16 | 110.0° | 89.9° |
| C23 | N21 | C22 | H6 | 180.0° | 90.0° |
| C23 | N21 | C22 | H7 | 60.0° | 30.0° |
| C23 | N21 | C22 | H8 | 60.0° | 150.0° |
| N21 | C23 | H16 | H17 | 120.0° | 120.0° |
| N21 | C23 | H16 | H18 | 120.0° | 119.9° |
| N21 | C23 | H17 | H18 | 120.0° | 120.0° |
| C33 | C28 | C25 | C27 | 146.7° | 173.7° |
| C33 | C28 | C25 | C26 | 144.5° | 105.1° |
| C33 | C28 | C25 | C3 | 4.9° | 40.6° |
| C28 | C33 | C32 | H13 | 177.7° | 180.0° |
| C33 | C28 | C29 | H23 | 179.9° | 179.7° |
| C28 | C25 | C27 | C26 | 108.5° | 107.5° |
| C28 | C25 | C27 | C3 | 141.2° | 145.0° |
| C28 | C25 | C26 | C3 | 147.7° | 145.0° |
| C28 | C25 | C3 | N4 | 91.5° | 89.9° |
| C28 | C25 | C3 | N2 | 84.2° | 90.4° |
| C28 | C25 | C27 | H9 | 142.0° | 145.0° |
| C28 | C25 | C27 | H10 | 1.1° | 0.0° |
| C25 | C28 | C33 | H14 | 1.1° | 0.0° |
| C28 | C25 | C26 | H21 | 1.6° | 145.0° |
| C28 | C25 | C26 | H22 | 142.5° | 0.0° |
| C25 | C28 | C29 | H23 | 0.3° | 0.4° |
| N21 | S18 | O20 | N16 | 116.0° | 114.1° |
| N21 | S18 | N16 | C17 | 59.9° | 150.0° |
| N21 | S18 | N16 | N15 | 122.2° | 29.5° |
| S18 | N21 | C22 | H6 | 2.3° | 90.0° |
| S18 | N21 | C22 | H7 | 117.7° | 150.0° |
| S18 | N21 | C22 | H8 | 122.3° | 30.0° |
| S18 | N21 | C23 | H16 | 180.0° | 90.0° |
| S18 | N21 | C23 | H17 | 60.0° | 150.0° |
| S18 | N21 | C23 | H18 | 60.0° | 30.0° |
| C22 | N21 | S18 | O20 | 39.8° | 156.5° |
| C22 | N21 | S18 | N16 | 72.4° | 90.0° |
| N21 | C22 | H6 | H7 | 120.0° | 120.0° |
| N21 | C22 | H6 | H8 | 120.0° | 120.0° |
| N21 | C22 | H7 | H8 | 120.0° | 120.0° |
| C22 | N21 | C23 | H16 | 2.3° | 90.0° |
| C22 | N21 | C23 | H17 | 117.6° | 30.0° |
| C22 | N21 | C23 | H18 | 122.3° | 150.0° |
| O20 | S18 | N16 | C17 | 173.6° | 96.5° |
| O20 | S18 | N16 | N15 | 8.4° | 84.0° |
| S18 | N16 | C17 | N15 | 178.2° | 179.5° |
| S18 | N16 | C17 | C13 | 179.4° | 180.0° |
| S18 | N16 | N15 | C14 | 179.9° | 179.9° |
| S18 | N16 | C17 | H15 | 0.6° | 0.4° |
| C27 | C25 | C26 | C3 | 104.3° | 107.5° |
| C25 | C27 | C26 | H9 | 109.6° | 107.5° |
| C25 | C27 | C26 | H10 | 109.5° | 107.6° |
| C27 | C25 | C3 | N4 | 51.4° | 124.4° |
| C27 | C25 | C3 | N2 | 132.9° | 55.3° |
| C25 | C27 | H9 | H10 | 144.5° | 145.7° |
| C27 | C25 | C26 | H21 | 109.6° | 107.5° |
| C27 | C25 | C26 | H22 | 109.5° | 107.5° |
| C26 | C25 | C3 | N4 | 119.3° | 55.8° |
| C26 | C25 | C3 | N2 | 65.0° | 123.9° |
| C25 | C26 | H21 | H22 | 144.6° | 145.7° |
| C25 | C3 | N4 | N2 | 176.5° | 179.7° |
| C25 | C3 | N4 | C5 | 178.2° | 179.7° |
| C25 | C3 | N2 | C1 | 2.0° | 0.3° |
| C25 | C3 | N2 | N6 | 177.1° | 179.7° |
| C3 | C25 | C27 | H9 | 0.8° | 0.0° |
| C3 | C25 | C27 | H10 | 140.1° | 145.1° |
| C3 | C25 | C26 | H21 | 146.1° | 0.0° |
| C3 | C25 | C26 | H22 | 5.2° | 145.0° |
| N16 | C17 | C13 | H15 | 180.0° | 179.6° |
| C17 | N16 | N15 | C14 | 1.6° | 0.3° |
| N16 | C17 | C13 | C14 | 0.4° | 0.4° |
| N16 | C17 | C13 | C11 | 179.4° | 179.8° |
| N15 | N16 | C17 | C13 | 1.2° | 0.5° |
| N16 | N15 | C14 | C13 | 1.4° | 0.1° |
| N16 | N15 | C14 | H5 | 178.6° | 180.0° |
| N15 | N16 | C17 | H15 | 178.8° | 180.0° |
| C26 | C27 | H9 | H10 | 144.5° | 145.6° |
| C27 | C26 | H21 | H22 | 144.5° | 145.7° |
| C17 | C13 | C14 | N15 | 0.6° | 0.2° |
| C17 | C13 | C14 | C11 | 179.8° | 179.8° |
| C17 | C13 | C11 | N12 | 28.1° | 35.0° |
| C17 | C13 | C11 | C10 | 149.5° | 144.7° |
| C17 | C13 | C14 | H5 | 179.4° | 179.7° |
| N4 | C3 | N2 | C1 | 178.2° | 180.0° |
| N4 | C3 | N2 | N6 | 0.9° | 0.0° |
| C3 | N4 | C5 | N6 | 1.8° | 0.0° |
| C3 | N4 | C5 | C7 | 178.1° | 180.0° |
| N2 | C3 | N4 | C5 | 1.6° | 0.0° |
| C3 | N2 | C1 | N6 | 179.0° | 180.0° |
| C3 | N2 | N6 | C5 | 0.2° | 0.0° |
| C3 | N2 | C1 | H1 | 179.0° | 84.9° |
| C3 | N2 | C1 | H2 | 61.0° | 155.1° |
| C3 | N2 | C1 | H3 | 59.0° | 35.1° |
| N4 | C5 | N6 | N2 | 1.1° | 0.0° |
| N4 | C5 | C7 | N12 | 1.6° | 179.7° |
| N4 | C5 | N6 | C7 | 176.2° | 179.9° |
| N4 | C5 | C7 | C8 | 173.2° | 0.1° |
| N15 | C14 | C13 | H5 | 180.0° | 179.9° |
| N15 | C14 | C13 | C11 | 179.6° | 180.0° |
| C14 | C13 | C11 | N12 | 151.6° | 145.3° |
| C14 | C13 | C11 | C10 | 30.8° | 35.0° |
| C14 | C13 | C17 | H15 | 179.6° | 180.0° |
| C13 | C11 | N12 | C10 | 177.8° | 179.7° |
| C13 | C11 | N12 | C7 | 179.6° | 179.8° |
| C13 | C11 | C10 | N24 | 1.1° | 0.1° |
| C13 | C11 | C10 | N9 | 178.7° | 179.6° |
| C11 | C13 | C14 | H5 | 0.4° | 0.0° |
| C11 | C13 | C17 | H15 | 0.6° | 0.3° |
| C1 | N2 | N6 | C5 | 179.4° | 180.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 119.9° |
| N2 | N6 | C5 | C7 | 177.4° | 180.0° |
| N6 | N2 | C1 | H1 | 0.0° | 95.1° |
| N6 | N2 | C1 | H2 | 120.0° | 24.9° |
| N6 | N2 | C1 | H3 | 120.0° | 144.9° |
| C11 | N12 | C7 | C5 | 177.7° | 179.7° |
| C11 | N12 | C7 | C8 | 2.6° | 0.0° |
| N12 | C11 | C10 | N24 | 178.7° | 179.8° |
| N12 | C11 | C10 | N9 | 1.1° | 0.7° |
| N12 | C7 | C5 | N6 | 177.2° | 0.3° |
| N12 | C7 | C5 | C8 | 174.8° | 179.7° |
| C7 | N12 | C11 | C10 | 1.8° | 0.5° |
| N12 | C7 | C8 | N9 | 2.9° | 0.3° |
| N12 | C7 | C8 | H4 | 177.2° | 179.8° |
| N6 | C5 | C7 | C8 | 2.4° | 180.0° |
| C5 | C7 | C8 | N9 | 177.7° | 180.0° |
| C5 | C7 | C8 | H4 | 2.3° | 0.1° |
| C11 | C10 | N24 | N9 | 179.8° | 179.5° |
| C11 | C10 | N9 | C8 | 1.4° | 0.5° |
| C11 | C10 | N24 | H19 | 179.8° | 179.5° |
| C11 | C10 | N24 | H20 | 59.8° | 0.5° |
| C7 | C8 | N9 | C10 | 2.3° | 0.0° |
| C7 | C8 | N9 | H4 | 180.0° | 180.0° |
| N24 | C10 | N9 | C8 | 178.4° | 180.0° |
| C10 | N24 | H19 | H20 | 120.0° | 180.0° |
| C10 | N9 | C8 | H4 | 177.7° | 180.0° |
| N9 | C10 | N24 | H19 | 0.0° | 0.0° |
| N9 | C10 | N24 | H20 | 120.0° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | C22 | H7 | H8 | 120.0° | 120.0° |
| H9 | C27 | C26 | H21 | 140.8° | 0.0° |
| H9 | C27 | C26 | H22 | 0.0° | 145.0° |
| H10 | C27 | C26 | H21 | 0.0° | 145.0° |
| H10 | C27 | C26 | H22 | 140.9° | 0.1° |
| H11 | C30 | C31 | H12 | 0.5° | 0.3° |
| H11 | C30 | C29 | H23 | 0.3° | 0.0° |
| H12 | C31 | C32 | H13 | 1.8° | 0.0° |
| H13 | C32 | C33 | H14 | 2.3° | 0.0° |
| H16 | C23 | H17 | H18 | 120.0° | 120.0° |
