L28
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C26 | C5 | sing | 1.51Å | 1.51Å | |
| O19 | S18 | doub | 1.42Å | 1.43Å | |
| N6 | C5 | sing | 1.34Å | 1.33Å | Aromatic |
| N6 | C7 | sing | 1.38Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.48Å | Aromatic |
| C22 | N21 | sing | 1.47Å | 1.46Å | |
| O9 | C8 | doub | 1.22Å | 1.21Å | |
| O28 | C27 | doub | 1.22Å | 1.22Å | |
| N21 | S18 | sing | 1.66Å | 1.54Å | |
| N21 | C24 | sing | 1.47Å | 1.46Å | |
| S18 | O20 | doub | 1.42Å | 1.43Å | |
| S18 | C13 | sing | 1.76Å | 1.62Å | |
| C7 | C8 | sing | 1.47Å | 1.50Å | |
| C7 | C3 | doub | 1.36Å | 1.50Å | Aromatic |
| C4 | C27 | sing | 1.47Å | 1.50Å | |
| C4 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C8 | N10 | sing | 1.35Å | 1.33Å | |
| C27 | N1 | sing | 1.35Å | 1.41Å | |
| C12 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.40Å | 1.38Å | |
| C11 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | O17 | sing | 1.36Å | 1.36Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| N10 | H23 | sing | 0.97Å | 1.00Å | |
| O17 | H24 | sing | 0.97Å | 0.95Å | |
| N1 | H25 | sing | 0.97Å | 1.00Å | |
| N1 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | N21 | 112.4° | 109.5° |
| C22 | C23 | H10 | 109.5° | 109.5° |
| C22 | C23 | H11 | 109.5° | 109.5° |
| C22 | C23 | H12 | 109.4° | 109.5° |
| C23 | C22 | H18 | 108.8° | 109.5° |
| C23 | C22 | H19 | 108.7° | 109.5° |
| C26 | C5 | N6 | 124.1° | 125.8° |
| C26 | C5 | C4 | 128.3° | 125.8° |
| C5 | C26 | H4 | 109.5° | 109.5° |
| C5 | C26 | H5 | 109.5° | 109.5° |
| C5 | C26 | H6 | 109.5° | 109.4° |
| O19 | S18 | N21 | 111.5° | 106.4° |
| O19 | S18 | O20 | 108.9° | 123.1° |
| O19 | S18 | C13 | 106.3° | 106.4° |
| C5 | N6 | C7 | 111.1° | 109.2° |
| N6 | C5 | C4 | 107.6° | 108.4° |
| C5 | N6 | H22 | 124.5° | 125.4° |
| N6 | C7 | C8 | 123.9° | 125.8° |
| N6 | C7 | C3 | 110.0° | 108.3° |
| C7 | N6 | H22 | 124.4° | 125.5° |
| C5 | C4 | C27 | 122.1° | 126.5° |
| C5 | C4 | C3 | 108.1° | 107.1° |
| C22 | N21 | S18 | 120.6° | 120.0° |
| C22 | N21 | C24 | 118.9° | 120.0° |
| N21 | C22 | H18 | 108.7° | 109.5° |
| N21 | C22 | H19 | 108.7° | 109.4° |
| O9 | C8 | C7 | 114.8° | 120.0° |
| O9 | C8 | N10 | 122.0° | 120.0° |
| O28 | C27 | C4 | 119.9° | 120.0° |
| O28 | C27 | N1 | 118.1° | 120.0° |
| S18 | N21 | C24 | 120.5° | 120.0° |
| N21 | S18 | O20 | 110.5° | 106.4° |
| N21 | S18 | C13 | 110.8° | 107.3° |
| N21 | C24 | C25 | 109.4° | 109.5° |
| N21 | C24 | H20 | 109.5° | 109.4° |
| N21 | C24 | H21 | 109.5° | 109.5° |
| O20 | S18 | C13 | 108.8° | 106.4° |
| S18 | C13 | C12 | 122.5° | 119.9° |
| S18 | C13 | C14 | 119.0° | 119.9° |
| C8 | C7 | C3 | 126.1° | 125.9° |
| C7 | C8 | N10 | 123.1° | 120.0° |
| C7 | C3 | C4 | 103.1° | 107.0° |
| C7 | C3 | C2 | 127.9° | 126.5° |
| C27 | C4 | C3 | 129.7° | 126.5° |
| C4 | C27 | N1 | 122.0° | 120.0° |
| C4 | C3 | C2 | 129.0° | 126.5° |
| C8 | N10 | C11 | 126.1° | 120.0° |
| C8 | N10 | H23 | 116.9° | 120.0° |
| C27 | N1 | H25 | 120.0° | 120.0° |
| C27 | N1 | H26 | 120.0° | 120.0° |
| C13 | C12 | C11 | 121.4° | 120.0° |
| C12 | C13 | C14 | 118.5° | 120.2° |
| C13 | C12 | H3 | 119.3° | 120.1° |
| C12 | C11 | N10 | 127.4° | 120.1° |
| C12 | C11 | C16 | 118.0° | 119.8° |
| C11 | C12 | H3 | 119.3° | 120.0° |
| C3 | C2 | C1 | 110.5° | 109.5° |
| C3 | C2 | H16 | 109.2° | 109.5° |
| C3 | C2 | H17 | 109.2° | 109.5° |
| C24 | C25 | H13 | 109.5° | 109.5° |
| C24 | C25 | H14 | 109.5° | 109.5° |
| C24 | C25 | H15 | 109.5° | 109.5° |
| C25 | C24 | H20 | 109.5° | 109.5° |
| C25 | C24 | H21 | 109.5° | 109.5° |
| C13 | C14 | C15 | 120.5° | 120.2° |
| C13 | C14 | H2 | 119.7° | 119.9° |
| N10 | C11 | C16 | 114.6° | 120.1° |
| C11 | N10 | H23 | 116.9° | 120.0° |
| C11 | C16 | C15 | 121.3° | 119.8° |
| C11 | C16 | O17 | 118.9° | 120.1° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.4° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C1 | C2 | H16 | 109.2° | 109.5° |
| C1 | C2 | H17 | 109.2° | 109.5° |
| C14 | C15 | C16 | 120.3° | 120.0° |
| C14 | C15 | H1 | 119.8° | 120.0° |
| C15 | C14 | H2 | 119.7° | 119.9° |
| C15 | C16 | O17 | 119.8° | 120.1° |
| C16 | C15 | H1 | 119.9° | 120.0° |
| C16 | O17 | H24 | 109.5° | 114.0° |
| H4 | C26 | H5 | 109.5° | 109.4° |
| H4 | C26 | H6 | 109.5° | 109.5° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.4° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H10 | C23 | H11 | 109.5° | 109.4° |
| H10 | C23 | H12 | 109.5° | 109.4° |
| H11 | C23 | H12 | 109.5° | 109.4° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H13 | C25 | H15 | 109.4° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H25 | N1 | H26 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | N21 | H18 | 120.5° | 120.1° |
| C23 | C22 | N21 | H19 | 120.4° | 120.0° |
| C23 | C22 | N21 | S18 | 118.8° | 95.1° |
| C23 | C22 | N21 | C24 | 64.1° | 85.0° |
| C22 | C23 | H10 | H11 | 120.0° | 120.0° |
| C22 | C23 | H10 | H12 | 120.0° | 120.0° |
| C22 | C23 | H11 | H12 | 120.0° | 120.0° |
| C23 | C22 | H18 | H19 | 118.7° | 120.0° |
| C26 | C5 | N6 | C4 | 179.6° | 179.8° |
| C26 | C5 | N6 | C7 | 179.1° | 179.8° |
| C26 | C5 | C4 | C27 | 0.3° | 0.1° |
| C26 | C5 | C4 | C3 | 179.9° | 179.8° |
| C5 | C26 | H4 | H5 | 120.0° | 120.0° |
| C5 | C26 | H4 | H6 | 120.0° | 120.0° |
| C5 | C26 | H5 | H6 | 120.0° | 120.0° |
| C26 | C5 | N6 | H22 | 0.9° | 0.2° |
| O19 | S18 | N21 | C22 | 35.9° | 23.6° |
| O19 | S18 | N21 | O20 | 121.3° | 132.9° |
| O19 | S18 | N21 | C13 | 118.1° | 113.6° |
| O19 | S18 | N21 | C24 | 147.1° | 156.5° |
| O19 | S18 | O20 | C13 | 115.4° | 122.9° |
| O19 | S18 | C13 | C12 | 31.2° | 156.5° |
| O19 | S18 | C13 | C14 | 147.1° | 23.9° |
| C5 | N6 | C7 | H22 | 180.0° | 179.6° |
| C5 | N6 | C7 | C8 | 178.3° | 179.7° |
| C5 | N6 | C7 | C3 | 1.7° | 0.3° |
| N6 | C5 | C4 | C27 | 180.0° | 179.9° |
| N6 | C5 | C4 | C3 | 0.3° | 0.4° |
| N6 | C5 | C26 | H4 | 89.8° | 89.8° |
| N6 | C5 | C26 | H5 | 150.2° | 30.2° |
| N6 | C5 | C26 | H6 | 30.2° | 150.2° |
| C7 | N6 | C5 | C4 | 1.2° | 0.5° |
| N6 | C7 | C8 | O9 | 27.6° | 180.0° |
| N6 | C7 | C8 | C3 | 176.0° | 179.9° |
| N6 | C7 | C3 | C4 | 1.5° | 0.0° |
| N6 | C7 | C8 | N10 | 154.9° | 0.1° |
| N6 | C7 | C3 | C2 | 179.4° | 180.0° |
| C5 | C4 | C27 | O28 | 3.1° | 90.4° |
| C5 | C4 | C3 | C7 | 0.7° | 0.3° |
| C5 | C4 | C27 | C3 | 179.7° | 179.6° |
| C5 | C4 | C27 | N1 | 176.0° | 89.6° |
| C5 | C4 | C3 | C2 | 179.8° | 179.7° |
| C4 | C5 | C26 | H4 | 89.8° | 89.9° |
| C4 | C5 | C26 | H5 | 30.2° | 150.1° |
| C4 | C5 | C26 | H6 | 150.3° | 30.1° |
| C4 | C5 | N6 | H22 | 178.8° | 180.0° |
| C22 | N21 | S18 | C24 | 177.0° | 180.0° |
| C22 | N21 | S18 | O20 | 157.2° | 156.5° |
| C22 | N21 | S18 | C13 | 82.2° | 90.0° |
| C22 | N21 | C24 | C25 | 73.1° | 85.0° |
| N21 | C22 | C23 | H10 | 180.0° | 60.0° |
| N21 | C22 | C23 | H11 | 60.0° | 180.0° |
| N21 | C22 | C23 | H12 | 60.0° | 60.0° |
| N21 | C22 | H18 | H19 | 118.7° | 119.9° |
| C22 | N21 | C24 | H20 | 166.9° | 35.0° |
| C22 | N21 | C24 | H21 | 46.9° | 155.0° |
| O9 | C8 | C7 | N10 | 177.5° | 179.9° |
| O9 | C8 | C7 | C3 | 148.5° | 0.1° |
| O9 | C8 | N10 | C11 | 12.0° | 5.6° |
| O9 | C8 | N10 | H23 | 168.0° | 174.4° |
| O28 | C27 | C4 | N1 | 179.1° | 180.0° |
| O28 | C27 | C4 | C3 | 177.1° | 90.0° |
| O28 | C27 | N1 | H25 | 0.0° | 179.9° |
| O28 | C27 | N1 | H26 | 180.0° | 0.0° |
| N21 | S18 | O20 | C13 | 121.8° | 114.1° |
| N21 | S18 | C13 | C12 | 90.1° | 89.9° |
| S18 | N21 | C24 | C25 | 104.0° | 95.0° |
| N21 | S18 | C13 | C14 | 91.6° | 89.7° |
| S18 | N21 | C22 | H18 | 120.7° | 25.0° |
| S18 | N21 | C22 | H19 | 1.6° | 145.0° |
| S18 | N21 | C24 | H20 | 16.0° | 145.0° |
| S18 | N21 | C24 | H21 | 136.1° | 25.0° |
| C24 | N21 | S18 | O20 | 25.8° | 23.6° |
| C24 | N21 | S18 | C13 | 94.8° | 90.0° |
| N21 | C24 | C25 | H20 | 120.0° | 119.9° |
| N21 | C24 | C25 | H21 | 120.0° | 120.0° |
| N21 | C24 | C25 | H13 | 180.0° | 60.0° |
| N21 | C24 | C25 | H14 | 60.0° | 180.0° |
| N21 | C24 | C25 | H15 | 60.0° | 60.0° |
| C24 | N21 | C22 | H18 | 56.3° | 155.0° |
| C24 | N21 | C22 | H19 | 175.4° | 35.0° |
| N21 | C24 | H20 | H21 | 120.0° | 120.0° |
| O20 | S18 | C13 | C12 | 148.3° | 23.6° |
| O20 | S18 | C13 | C14 | 30.0° | 156.8° |
| S18 | C13 | C12 | C14 | 178.3° | 179.7° |
| S18 | C13 | C12 | C11 | 179.7° | 179.9° |
| S18 | C13 | C14 | C15 | 179.7° | 179.7° |
| S18 | C13 | C14 | H2 | 0.3° | 0.3° |
| S18 | C13 | C12 | H3 | 0.4° | 0.3° |
| C8 | C7 | C3 | C4 | 178.0° | 179.9° |
| C8 | C7 | C3 | C2 | 2.9° | 0.0° |
| C7 | C8 | N10 | C11 | 165.4° | 174.5° |
| C8 | C7 | N6 | H22 | 1.7° | 0.1° |
| C7 | C8 | N10 | H23 | 14.6° | 5.5° |
| C7 | C3 | C4 | C27 | 179.1° | 180.0° |
| C7 | C3 | C4 | C2 | 179.2° | 180.0° |
| C3 | C7 | C8 | N10 | 29.1° | 180.0° |
| C7 | C3 | C2 | C1 | 91.3° | 90.0° |
| C7 | C3 | C2 | H16 | 148.6° | 30.0° |
| C7 | C3 | C2 | H17 | 28.8° | 150.0° |
| C3 | C7 | N6 | H22 | 178.3° | 179.9° |
| C27 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C27 | N1 | H25 | 179.1° | 0.1° |
| C4 | C27 | N1 | H26 | 0.9° | 180.0° |
| C3 | C4 | C27 | N1 | 3.7° | 90.0° |
| C4 | C3 | C2 | C1 | 87.7° | 90.0° |
| C4 | C3 | C2 | H16 | 32.5° | 150.0° |
| C4 | C3 | C2 | H17 | 152.2° | 30.0° |
| C8 | N10 | C11 | C12 | 5.2° | 24.8° |
| C8 | N10 | C11 | H23 | 180.0° | 180.0° |
| C8 | N10 | C11 | C16 | 173.7° | 155.5° |
| C27 | N1 | H25 | H26 | 180.0° | 179.9° |
| C13 | C12 | C11 | H3 | 180.0° | 179.8° |
| C13 | C12 | C11 | N10 | 179.9° | 180.0° |
| C13 | C12 | C11 | C16 | 1.2° | 0.3° |
| C12 | C13 | C14 | C15 | 1.3° | 0.0° |
| C12 | C13 | C14 | H2 | 178.7° | 180.0° |
| C11 | C12 | C13 | C14 | 1.4° | 0.3° |
| C12 | C11 | N10 | C16 | 178.9° | 179.7° |
| C12 | C11 | C16 | C15 | 1.1° | 0.0° |
| C12 | C11 | C16 | O17 | 179.5° | 180.0° |
| C12 | C11 | N10 | H23 | 174.8° | 155.2° |
| C3 | C2 | C1 | H16 | 120.2° | 120.0° |
| C3 | C2 | C1 | H17 | 120.1° | 120.0° |
| C3 | C2 | C1 | H7 | 180.0° | 60.0° |
| C3 | C2 | C1 | H8 | 60.0° | 180.0° |
| C3 | C2 | C1 | H9 | 60.0° | 60.0° |
| C3 | C2 | H16 | H17 | 119.6° | 120.0° |
| C24 | C25 | H13 | H14 | 120.0° | 120.0° |
| C24 | C25 | H13 | H15 | 120.0° | 120.0° |
| C24 | C25 | H14 | H15 | 120.0° | 120.0° |
| C25 | C24 | H20 | H21 | 120.0° | 120.1° |
| C13 | C14 | C15 | H2 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.2° | 0.3° |
| C13 | C14 | C15 | H1 | 178.8° | 180.0° |
| C14 | C13 | C12 | H3 | 178.7° | 179.9° |
| N10 | C11 | C16 | C15 | 179.9° | 179.7° |
| N10 | C11 | C16 | O17 | 0.5° | 0.3° |
| N10 | C11 | C12 | H3 | 0.1° | 0.2° |
| C11 | C16 | C15 | C14 | 1.1° | 0.3° |
| C11 | C16 | C15 | O17 | 179.4° | 180.0° |
| C11 | C16 | C15 | H1 | 178.9° | 180.0° |
| C16 | C11 | C12 | H3 | 178.8° | 179.9° |
| C16 | C11 | N10 | H23 | 6.3° | 24.5° |
| C11 | C16 | O17 | H24 | 180.0° | 90.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | H16 | H17 | 119.5° | 120.0° |
| C14 | C15 | C16 | H1 | 180.0° | 179.7° |
| C14 | C15 | C16 | O17 | 179.5° | 179.7° |
| C16 | C15 | C14 | H2 | 178.8° | 179.8° |
| C15 | C16 | O17 | H24 | 0.6° | 90.0° |
| O17 | C16 | C15 | H1 | 0.5° | 0.1° |
| H1 | C15 | C14 | H2 | 1.2° | 0.0° |
| H4 | C26 | H5 | H6 | 120.0° | 120.0° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H7 | C1 | C2 | H16 | 59.8° | 60.0° |
| H7 | C1 | C2 | H17 | 59.9° | NaN° |
| H8 | C1 | C2 | H16 | 179.8° | 60.0° |
| H8 | C1 | C2 | H17 | 60.1° | 60.0° |
| H9 | C1 | C2 | H16 | 60.2° | 180.0° |
| H9 | C1 | C2 | H17 | 179.9° | 60.0° |
| H10 | C23 | H11 | H12 | 120.0° | 119.9° |
| H10 | C23 | C22 | H18 | 59.5° | 180.0° |
| H10 | C23 | C22 | H19 | 59.6° | 59.9° |
| H11 | C23 | C22 | H18 | 60.5° | 60.0° |
| H11 | C23 | C22 | H19 | 179.6° | 60.1° |
| H12 | C23 | C22 | H18 | 179.5° | 60.0° |
| H12 | C23 | C22 | H19 | 60.4° | 180.0° |
| H13 | C25 | H14 | H15 | 120.0° | 120.0° |
| H13 | C25 | C24 | H20 | 60.0° | 179.9° |
| H13 | C25 | C24 | H21 | 60.0° | 60.0° |
| H14 | C25 | C24 | H20 | 180.0° | 60.1° |
| H14 | C25 | C24 | H21 | 60.0° | 60.0° |
| H15 | C25 | C24 | H20 | 60.0° | 59.9° |
| H15 | C25 | C24 | H21 | 180.0° | 180.0° |
