L33
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C5 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| O19 | S18 | doub | 1.42Å | 1.43Å | |
| C5 | N6 | sing | 1.34Å | 1.35Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.47Å | Aromatic |
| C22 | N21 | sing | 1.46Å | 1.46Å | |
| N6 | C7 | sing | 1.38Å | 1.35Å | Aromatic |
| O28 | C27 | doub | 1.21Å | 1.23Å | |
| O9 | C8 | doub | 1.22Å | 1.22Å | |
| C4 | C27 | sing | 1.47Å | 1.49Å | |
| C4 | C3 | sing | 1.42Å | 1.39Å | Aromatic |
| C27 | C29 | sing | 1.51Å | 1.51Å | |
| N21 | S18 | sing | 1.66Å | 1.54Å | |
| N21 | C24 | sing | 1.46Å | 1.46Å | |
| C7 | C8 | sing | 1.47Å | 1.50Å | |
| C7 | C3 | doub | 1.36Å | 1.49Å | Aromatic |
| S18 | O20 | doub | 1.42Å | 1.45Å | |
| S18 | C13 | sing | 1.76Å | 1.62Å | |
| C8 | N10 | sing | 1.35Å | 1.34Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.40Å | 1.37Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C11 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| N10 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C5 | N6 | 125.9° | 125.9° |
| C26 | C5 | C4 | 126.8° | 125.8° |
| C5 | C26 | H5 | 109.5° | 109.5° |
| C5 | C26 | H6 | 109.5° | 109.5° |
| C5 | C26 | H7 | 109.5° | 109.4° |
| C23 | C22 | N21 | 109.5° | 109.5° |
| C22 | C23 | H14 | 109.5° | 109.5° |
| C22 | C23 | H15 | 109.5° | 109.4° |
| C22 | C23 | H16 | 109.5° | 109.5° |
| C23 | C22 | H22 | 109.5° | 109.4° |
| C23 | C22 | H23 | 109.5° | 109.5° |
| O19 | S18 | N21 | 113.6° | 106.4° |
| O19 | S18 | O20 | 108.9° | 123.2° |
| O19 | S18 | C13 | 109.8° | 106.4° |
| N6 | C5 | C4 | 107.4° | 108.4° |
| C5 | N6 | C7 | 110.8° | 109.3° |
| C5 | N6 | H26 | 124.6° | 125.3° |
| C5 | C4 | C27 | 122.2° | 126.6° |
| C5 | C4 | C3 | 108.4° | 106.9° |
| C22 | N21 | S18 | 120.4° | 120.0° |
| C22 | N21 | C24 | 120.0° | 120.0° |
| N21 | C22 | H22 | 109.5° | 109.5° |
| N21 | C22 | H23 | 109.5° | 109.5° |
| N6 | C7 | C8 | 122.9° | 125.8° |
| N6 | C7 | C3 | 109.5° | 108.4° |
| C7 | N6 | H26 | 124.6° | 125.3° |
| O28 | C27 | C4 | 122.0° | 120.0° |
| O28 | C27 | C29 | 121.6° | 120.0° |
| O9 | C8 | C7 | 115.3° | 119.9° |
| O9 | C8 | N10 | 121.0° | 120.0° |
| C27 | C4 | C3 | 129.3° | 126.5° |
| C4 | C27 | C29 | 116.2° | 120.0° |
| C4 | C3 | C7 | 103.9° | 107.0° |
| C4 | C3 | C2 | 127.6° | 126.5° |
| C27 | C29 | H8 | 109.5° | 109.4° |
| C27 | C29 | H9 | 109.5° | 109.5° |
| C27 | C29 | H10 | 109.4° | 109.5° |
| S18 | N21 | C24 | 119.6° | 120.0° |
| N21 | S18 | O20 | 106.7° | 106.4° |
| N21 | S18 | C13 | 107.2° | 107.2° |
| N21 | C24 | C25 | 109.8° | 109.5° |
| N21 | C24 | H24 | 109.4° | 109.5° |
| N21 | C24 | H25 | 109.4° | 109.4° |
| C8 | C7 | C3 | 127.6° | 125.8° |
| C7 | C8 | N10 | 123.7° | 120.0° |
| C7 | C3 | C2 | 128.4° | 126.5° |
| O20 | S18 | C13 | 110.7° | 106.4° |
| S18 | C13 | C12 | 122.1° | 120.0° |
| S18 | C13 | C14 | 118.3° | 120.0° |
| C8 | N10 | C11 | 123.4° | 120.0° |
| C8 | N10 | H27 | 118.3° | 120.0° |
| C3 | C2 | C1 | 108.5° | 109.5° |
| C3 | C2 | H20 | 109.7° | 109.4° |
| C3 | C2 | H21 | 109.7° | 109.5° |
| C24 | C25 | H17 | 109.5° | 109.5° |
| C24 | C25 | H18 | 109.5° | 109.4° |
| C24 | C25 | H19 | 109.5° | 109.5° |
| C25 | C24 | H24 | 109.4° | 109.5° |
| C25 | C24 | H25 | 109.4° | 109.4° |
| C13 | C12 | C11 | 120.6° | 119.9° |
| C12 | C13 | C14 | 119.6° | 120.0° |
| C13 | C12 | H3 | 119.7° | 120.0° |
| C12 | C11 | N10 | 125.1° | 120.1° |
| C12 | C11 | C16 | 118.7° | 119.9° |
| C11 | C12 | H3 | 119.7° | 120.0° |
| C13 | C14 | C15 | 119.8° | 120.2° |
| C13 | C14 | H2 | 120.1° | 119.9° |
| N10 | C11 | C16 | 116.2° | 120.1° |
| C11 | N10 | H27 | 118.3° | 120.0° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.4° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | H20 | 109.7° | 109.5° |
| C1 | C2 | H21 | 109.7° | 109.5° |
| C11 | C16 | C15 | 120.2° | 119.9° |
| C11 | C16 | H4 | 119.9° | 120.0° |
| C14 | C15 | C16 | 121.1° | 120.1° |
| C14 | C15 | H1 | 119.5° | 120.0° |
| C15 | C14 | H2 | 120.1° | 119.9° |
| C16 | C15 | H1 | 119.5° | 119.9° |
| C15 | C16 | H4 | 119.9° | 120.0° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H5 | C26 | H7 | 109.5° | 109.5° |
| H6 | C26 | H7 | 109.4° | 109.4° |
| H8 | C29 | H9 | 109.4° | 109.5° |
| H8 | C29 | H10 | 109.5° | 109.5° |
| H9 | C29 | H10 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.4° |
| H14 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.4° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.4° |
| H17 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.4° | 109.5° |
| H20 | C2 | H21 | 109.4° | 109.5° |
| H22 | C22 | H23 | 109.4° | 109.4° |
| H24 | C24 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C5 | N6 | C4 | 178.5° | 179.6° |
| C26 | C5 | N6 | C7 | 178.9° | 180.0° |
| C26 | C5 | C4 | C27 | 0.6° | 0.3° |
| C26 | C5 | C4 | C3 | 179.0° | 180.0° |
| C5 | C26 | H5 | H6 | 120.0° | 120.1° |
| C5 | C26 | H5 | H7 | 120.0° | 120.0° |
| C5 | C26 | H6 | H7 | 120.0° | 119.9° |
| C26 | C5 | N6 | H26 | 1.1° | 0.4° |
| C23 | C22 | N21 | H22 | 120.0° | 120.0° |
| C23 | C22 | N21 | H23 | 120.0° | 120.1° |
| C23 | C22 | N21 | S18 | 132.4° | 94.9° |
| C23 | C22 | N21 | C24 | 47.6° | 85.0° |
| C22 | C23 | H14 | H15 | 120.0° | 120.0° |
| C22 | C23 | H14 | H16 | 120.0° | 120.1° |
| C22 | C23 | H15 | H16 | 120.0° | 120.0° |
| C23 | C22 | H22 | H23 | 120.0° | 120.0° |
| O19 | S18 | N21 | C22 | 31.6° | 23.5° |
| O19 | S18 | N21 | O20 | 120.0° | 133.0° |
| O19 | S18 | N21 | C13 | 121.5° | 113.5° |
| O19 | S18 | N21 | C24 | 148.4° | 156.5° |
| O19 | S18 | O20 | C13 | 120.8° | 123.0° |
| O19 | S18 | C13 | C12 | 32.7° | 156.5° |
| O19 | S18 | C13 | C14 | 148.5° | 23.8° |
| C5 | N6 | C7 | H26 | 180.0° | 179.6° |
| N6 | C5 | C4 | C27 | 177.8° | 179.8° |
| N6 | C5 | C4 | C3 | 0.5° | 0.4° |
| C5 | N6 | C7 | C8 | 179.5° | 179.7° |
| C5 | N6 | C7 | C3 | 0.2° | 0.3° |
| N6 | C5 | C26 | H5 | 89.1° | 95.3° |
| N6 | C5 | C26 | H6 | 150.8° | 144.7° |
| N6 | C5 | C26 | H7 | 30.9° | 24.7° |
| C4 | C5 | N6 | C7 | 0.4° | 0.4° |
| C5 | C4 | C27 | O28 | 21.5° | 85.4° |
| C5 | C4 | C27 | C3 | 178.0° | 179.7° |
| C5 | C4 | C27 | C29 | 153.8° | 94.7° |
| C5 | C4 | C3 | C7 | 0.3° | 0.3° |
| C5 | C4 | C3 | C2 | 179.0° | 179.8° |
| C4 | C5 | C26 | H5 | 89.1° | 85.2° |
| C4 | C5 | C26 | H6 | 30.9° | 34.8° |
| C4 | C5 | C26 | H7 | 150.9° | 154.8° |
| C4 | C5 | N6 | H26 | 179.6° | 179.9° |
| C22 | N21 | S18 | C24 | 180.0° | 180.0° |
| C22 | N21 | S18 | O20 | 151.5° | 156.5° |
| C22 | N21 | S18 | C13 | 89.9° | 90.0° |
| C22 | N21 | C24 | C25 | 70.4° | 85.0° |
| N21 | C22 | C23 | H14 | 180.0° | 60.0° |
| N21 | C22 | C23 | H15 | 60.0° | 60.0° |
| N21 | C22 | C23 | H16 | 60.0° | 180.0° |
| N21 | C22 | H22 | H23 | 120.0° | 120.0° |
| C22 | N21 | C24 | H24 | 169.6° | 35.0° |
| C22 | N21 | C24 | H25 | 49.6° | 155.0° |
| N6 | C7 | C8 | O9 | 25.4° | 180.0° |
| N6 | C7 | C3 | C4 | 0.1° | 0.0° |
| N6 | C7 | C8 | C3 | 179.2° | 180.0° |
| N6 | C7 | C8 | N10 | 155.1° | 0.0° |
| N6 | C7 | C3 | C2 | 179.3° | 180.0° |
| O28 | C27 | C4 | C29 | 175.4° | 179.9° |
| O28 | C27 | C4 | C3 | 160.5° | 94.3° |
| O28 | C27 | C29 | H8 | 0.0° | 125.0° |
| O28 | C27 | C29 | H9 | 120.0° | 5.1° |
| O28 | C27 | C29 | H10 | 120.0° | 115.0° |
| O9 | C8 | C7 | N10 | 179.4° | 180.0° |
| O9 | C8 | C7 | C3 | 153.7° | 0.0° |
| O9 | C8 | N10 | C11 | 17.3° | 4.5° |
| O9 | C8 | N10 | H27 | 162.7° | 175.4° |
| C27 | C4 | C3 | C7 | 177.8° | 180.0° |
| C27 | C4 | C3 | C2 | 2.8° | 0.0° |
| C4 | C27 | C29 | H8 | 175.3° | 55.0° |
| C4 | C27 | C29 | H9 | 55.4° | 175.0° |
| C4 | C27 | C29 | H10 | 64.6° | 65.0° |
| C3 | C4 | C27 | C29 | 24.1° | 85.6° |
| C4 | C3 | C7 | C8 | 179.2° | 180.0° |
| C4 | C3 | C7 | C2 | 179.4° | 180.0° |
| C4 | C3 | C2 | C1 | 64.0° | 90.0° |
| C4 | C3 | C2 | H20 | 55.8° | 150.0° |
| C4 | C3 | C2 | H21 | 176.1° | 30.0° |
| C27 | C29 | H8 | H9 | 120.0° | 120.0° |
| C27 | C29 | H8 | H10 | 120.0° | 120.0° |
| C27 | C29 | H9 | H10 | 120.0° | 120.0° |
| N21 | S18 | O20 | C13 | 116.2° | 114.0° |
| S18 | N21 | C24 | C25 | 109.6° | 94.9° |
| N21 | S18 | C13 | C12 | 91.1° | 90.0° |
| N21 | S18 | C13 | C14 | 87.7° | 89.8° |
| S18 | N21 | C22 | H22 | 107.5° | 25.0° |
| S18 | N21 | C22 | H23 | 12.4° | 145.0° |
| S18 | N21 | C24 | H24 | 10.5° | 145.0° |
| S18 | N21 | C24 | H25 | 130.4° | 25.0° |
| C24 | N21 | S18 | O20 | 28.5° | 23.5° |
| C24 | N21 | S18 | C13 | 90.1° | 90.0° |
| N21 | C24 | C25 | H24 | 120.0° | 120.1° |
| N21 | C24 | C25 | H25 | 120.0° | 119.9° |
| N21 | C24 | C25 | H17 | 180.0° | 180.0° |
| N21 | C24 | C25 | H18 | 60.0° | 60.0° |
| N21 | C24 | C25 | H19 | 60.0° | 59.9° |
| C24 | N21 | C22 | H22 | 72.4° | 155.0° |
| C24 | N21 | C22 | H23 | 167.6° | 35.0° |
| N21 | C24 | H24 | H25 | 119.8° | 120.0° |
| C8 | C7 | C3 | C2 | 1.4° | 0.0° |
| C7 | C8 | N10 | C11 | 162.1° | 175.5° |
| C8 | C7 | N6 | H26 | 0.5° | 0.1° |
| C7 | C8 | N10 | H27 | 17.9° | 4.6° |
| C3 | C7 | C8 | N10 | 25.7° | 180.0° |
| C7 | C3 | C2 | C1 | 115.2° | 90.0° |
| C7 | C3 | C2 | H20 | 124.9° | 30.0° |
| C7 | C3 | C2 | H21 | 4.6° | 150.0° |
| C3 | C7 | N6 | H26 | 179.8° | 179.9° |
| O20 | S18 | C13 | C12 | 153.0° | 23.5° |
| O20 | S18 | C13 | C14 | 28.2° | 156.7° |
| S18 | C13 | C12 | C14 | 178.8° | 179.8° |
| S18 | C13 | C12 | C11 | 179.6° | 180.0° |
| S18 | C13 | C14 | C15 | 179.9° | 179.7° |
| S18 | C13 | C14 | H2 | 0.1° | 0.2° |
| S18 | C13 | C12 | H3 | 0.4° | 0.3° |
| C8 | N10 | C11 | C12 | 9.4° | 144.3° |
| C8 | N10 | C11 | H27 | 180.0° | 179.9° |
| C8 | N10 | C11 | C16 | 172.4° | 35.9° |
| C3 | C2 | C1 | H20 | 119.9° | 120.0° |
| C3 | C2 | C1 | H21 | 119.9° | 120.0° |
| C3 | C2 | C1 | H11 | 180.0° | 180.0° |
| C3 | C2 | C1 | H12 | 60.0° | 60.0° |
| C3 | C2 | C1 | H13 | 60.0° | 60.0° |
| C3 | C2 | H20 | H21 | 120.5° | 120.0° |
| C24 | C25 | H17 | H18 | 120.0° | 119.9° |
| C24 | C25 | H17 | H19 | 120.0° | 120.1° |
| C24 | C25 | H18 | H19 | 120.0° | 120.0° |
| C25 | C24 | H24 | H25 | 119.9° | 120.0° |
| C13 | C12 | C11 | H3 | 180.0° | 179.7° |
| C13 | C12 | C11 | N10 | 178.3° | 180.0° |
| C13 | C12 | C11 | C16 | 0.2° | 0.2° |
| C12 | C13 | C14 | C15 | 1.2° | 0.1° |
| C12 | C13 | C14 | H2 | 178.7° | 180.0° |
| C11 | C12 | C13 | C14 | 0.8° | 0.2° |
| C12 | C11 | N10 | C16 | 178.2° | 179.8° |
| C12 | C11 | C16 | C15 | 0.7° | 0.1° |
| C12 | C11 | C16 | H4 | 179.3° | 180.0° |
| C12 | C11 | N10 | H27 | 170.6° | 35.8° |
| C13 | C14 | C15 | H2 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.7° | 0.3° |
| C13 | C14 | C15 | H1 | 179.3° | 179.9° |
| C14 | C13 | C12 | H3 | 179.2° | 179.9° |
| N10 | C11 | C16 | C15 | 179.0° | 179.8° |
| N10 | C11 | C12 | H3 | 1.7° | 0.3° |
| N10 | C11 | C16 | H4 | 1.0° | 0.2° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | H20 | H21 | 120.4° | 120.0° |
| C11 | C16 | C15 | C14 | 0.2° | 0.3° |
| C11 | C16 | C15 | H4 | 180.0° | 179.9° |
| C11 | C16 | C15 | H1 | 179.8° | 179.9° |
| C16 | C11 | C12 | H3 | 179.8° | 179.9° |
| C16 | C11 | N10 | H27 | 7.6° | 144.0° |
| C14 | C15 | C16 | H1 | 180.0° | 179.7° |
| C14 | C15 | C16 | H4 | 179.7° | 179.7° |
| C16 | C15 | C14 | H2 | 179.2° | 179.7° |
| H1 | C15 | C14 | H2 | 0.7° | 0.0° |
| H1 | C15 | C16 | H4 | 0.3° | 0.0° |
| H5 | C26 | H6 | H7 | 120.0° | 120.0° |
| H8 | C29 | H9 | H10 | 120.0° | 120.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H11 | C1 | C2 | H20 | 60.1° | 60.0° |
| H11 | C1 | C2 | H21 | 60.2° | 60.0° |
| H12 | C1 | C2 | H20 | 179.9° | 180.0° |
| H12 | C1 | C2 | H21 | 59.8° | 60.0° |
| H13 | C1 | C2 | H20 | 59.9° | 60.0° |
| H13 | C1 | C2 | H21 | 179.9° | 180.0° |
| H14 | C23 | H15 | H16 | 120.0° | 120.0° |
| H14 | C23 | C22 | H22 | 60.0° | 60.0° |
| H14 | C23 | C22 | H23 | 60.0° | 180.0° |
| H15 | C23 | C22 | H22 | 60.0° | 180.0° |
| H15 | C23 | C22 | H23 | 180.0° | 60.0° |
| H16 | C23 | C22 | H22 | 180.0° | 60.0° |
| H16 | C23 | C22 | H23 | 60.0° | 59.9° |
| H17 | C25 | H18 | H19 | 120.0° | 120.0° |
| H17 | C25 | C24 | H24 | 60.0° | 59.9° |
| H17 | C25 | C24 | H25 | 60.0° | 60.1° |
| H18 | C25 | C24 | H24 | 180.0° | 60.0° |
| H18 | C25 | C24 | H25 | 60.0° | 180.0° |
| H19 | C25 | C24 | H24 | 60.0° | 180.0° |
| H19 | C25 | C24 | H25 | 180.0° | 60.0° |
