29L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C19 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | doub | 1.37Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| N24 | O25 | sing | 1.42Å | 1.41Å | |
| N24 | C23 | doub | 1.29Å | 1.29Å | |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | N9 | sing | 1.47Å | 1.46Å | |
| C3 | C23 | sing | 1.48Å | 1.47Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | N9 | sing | 1.35Å | 1.35Å | Aromatic |
| C8 | C7 | doub | 1.36Å | 1.36Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| N9 | N10 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.48Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C11 | sing | 1.42Å | 1.43Å | Aromatic |
| N10 | C11 | doub | 1.31Å | 1.33Å | Aromatic |
| C14 | N15 | sing | 1.32Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.48Å | |
| C12 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C21 | sing | 1.51Å | 1.50Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| N15 | C16 | doub | 1.32Å | 1.32Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| O20 | H13 | sing | 0.97Å | 0.95Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| O25 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C19 | C18 | 113.0° | 109.5° |
| O20 | C19 | H11 | 108.6° | 109.4° |
| O20 | C19 | H12 | 108.6° | 109.4° |
| C19 | O20 | H13 | 109.5° | 114.0° |
| C19 | C18 | N9 | 107.6° | 109.5° |
| C19 | C18 | H9 | 109.9° | 109.5° |
| C19 | C18 | H10 | 109.9° | 109.5° |
| C18 | C19 | H11 | 108.6° | 109.5° |
| C18 | C19 | H12 | 108.6° | 109.5° |
| C1 | C2 | C3 | 119.7° | 120.3° |
| C2 | C1 | C6 | 121.4° | 120.0° |
| C2 | C1 | H1 | 119.3° | 120.0° |
| C1 | C2 | H2 | 120.1° | 119.8° |
| C2 | C3 | C23 | 129.2° | 129.8° |
| C2 | C3 | C4 | 119.3° | 119.6° |
| C3 | C2 | H2 | 120.1° | 119.9° |
| O25 | N24 | C23 | 119.5° | 120.0° |
| N24 | O25 | H18 | 109.5° | 114.0° |
| N24 | C23 | C3 | 126.1° | 126.0° |
| N24 | C23 | C22 | 126.5° | 126.0° |
| C1 | C6 | C7 | 115.5° | 120.1° |
| C1 | C6 | C5 | 119.1° | 119.9° |
| C6 | C1 | H1 | 119.3° | 120.0° |
| C18 | N9 | C8 | 124.9° | 125.8° |
| C18 | N9 | N10 | 126.5° | 125.8° |
| N9 | C18 | H9 | 109.9° | 109.4° |
| N9 | C18 | H10 | 109.9° | 109.4° |
| C23 | C3 | C4 | 111.4° | 110.6° |
| C3 | C23 | C22 | 107.4° | 108.0° |
| C3 | C4 | C5 | 120.9° | 120.0° |
| C3 | C4 | C21 | 108.1° | 109.6° |
| N9 | C8 | C7 | 108.7° | 107.8° |
| C8 | N9 | N10 | 108.6° | 108.4° |
| N9 | C8 | H4 | 125.6° | 126.1° |
| C8 | C7 | C6 | 121.8° | 126.3° |
| C8 | C7 | C11 | 106.5° | 107.5° |
| C7 | C8 | H4 | 125.6° | 126.1° |
| C23 | C22 | C21 | 104.2° | 105.3° |
| C23 | C22 | H16 | 110.8° | 110.3° |
| C23 | C22 | H17 | 110.8° | 110.3° |
| N9 | N10 | C11 | 107.9° | 108.5° |
| C14 | C13 | C12 | 118.6° | 119.0° |
| C13 | C14 | N15 | 121.1° | 120.9° |
| C14 | C13 | H5 | 120.7° | 120.5° |
| C13 | C14 | H6 | 119.5° | 119.6° |
| C13 | C12 | C11 | 121.5° | 121.0° |
| C13 | C12 | C17 | 118.5° | 118.2° |
| C12 | C13 | H5 | 120.7° | 120.4° |
| C7 | C6 | C5 | 125.4° | 120.0° |
| C6 | C7 | C11 | 131.7° | 126.2° |
| C6 | C5 | C4 | 119.5° | 120.2° |
| C6 | C5 | H3 | 120.3° | 119.9° |
| C7 | C11 | N10 | 108.3° | 107.8° |
| C7 | C11 | C12 | 129.2° | 126.1° |
| N10 | C11 | C12 | 122.5° | 126.1° |
| C14 | N15 | C16 | 122.0° | 122.0° |
| N15 | C14 | H6 | 119.4° | 119.5° |
| C11 | C12 | C17 | 119.9° | 120.9° |
| C12 | C17 | C16 | 119.0° | 119.1° |
| C12 | C17 | H8 | 120.5° | 120.5° |
| C5 | C4 | C21 | 131.0° | 130.3° |
| C4 | C5 | H3 | 120.2° | 119.9° |
| C4 | C21 | C22 | 107.0° | 106.4° |
| C4 | C21 | H14 | 110.1° | 110.1° |
| C4 | C21 | H15 | 110.0° | 110.0° |
| C22 | C21 | H14 | 110.1° | 110.1° |
| C22 | C21 | H15 | 110.1° | 110.1° |
| C21 | C22 | H16 | 110.7° | 110.3° |
| C21 | C22 | H17 | 110.8° | 110.3° |
| N15 | C16 | C17 | 120.7° | 120.8° |
| N15 | C16 | H7 | 119.6° | 119.5° |
| C17 | C16 | H7 | 119.6° | 119.6° |
| C16 | C17 | H8 | 120.5° | 120.5° |
| H9 | C18 | H10 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H14 | C21 | H15 | 109.5° | 110.1° |
| H16 | C22 | H17 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C19 | C18 | H11 | 120.5° | 120.0° |
| O20 | C19 | C18 | H12 | 120.5° | 120.0° |
| O20 | C19 | C18 | N9 | 66.0° | 180.0° |
| O20 | C19 | C18 | H9 | 53.7° | 60.0° |
| O20 | C19 | C18 | H10 | 174.3° | 60.0° |
| O20 | C19 | H11 | H12 | 118.4° | 119.9° |
| C19 | C18 | N9 | H9 | 119.7° | 120.0° |
| C19 | C18 | N9 | H10 | 119.7° | 120.0° |
| C19 | C18 | N9 | C8 | 40.5° | 125.0° |
| C19 | C18 | N9 | N10 | 137.7° | 55.0° |
| C19 | C18 | H9 | H10 | 120.8° | 120.1° |
| C18 | C19 | H11 | H12 | 118.4° | 120.1° |
| C18 | C19 | O20 | H13 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C23 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | C7 | 179.7° | 179.8° |
| C2 | C1 | C6 | C5 | 0.5° | 0.1° |
| C2 | C3 | C23 | N24 | 9.4° | 0.0° |
| C3 | C2 | C1 | C6 | 0.3° | 0.1° |
| C2 | C3 | C23 | C4 | 179.7° | 180.0° |
| C2 | C3 | C23 | C22 | 171.3° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | C21 | 179.6° | 180.0° |
| C3 | C2 | C1 | H1 | 179.6° | 179.7° |
| O25 | N24 | C23 | C3 | 179.6° | 180.0° |
| O25 | N24 | C23 | C22 | 0.4° | 0.1° |
| N24 | C23 | C3 | C22 | 179.3° | 180.0° |
| N24 | C23 | C3 | C4 | 170.2° | 180.0° |
| N24 | C23 | C22 | C21 | 166.2° | 180.0° |
| N24 | C23 | C22 | H16 | 74.6° | 61.0° |
| N24 | C23 | C22 | H17 | 47.0° | 61.0° |
| C23 | N24 | O25 | H18 | 180.0° | 180.0° |
| C1 | C6 | C7 | C8 | 33.7° | 130.3° |
| C1 | C6 | C7 | C5 | 179.2° | 179.9° |
| C1 | C6 | C7 | C11 | 145.0° | 50.1° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C6 | C1 | C2 | H2 | 179.7° | 179.9° |
| C1 | C6 | C5 | H3 | 179.7° | 180.0° |
| C18 | N9 | C8 | N10 | 178.5° | 180.0° |
| C18 | N9 | C8 | C7 | 179.4° | 180.0° |
| C18 | N9 | N10 | C11 | 179.5° | 179.7° |
| C18 | N9 | C8 | H4 | 0.6° | 0.0° |
| N9 | C18 | H9 | H10 | 120.8° | 119.9° |
| N9 | C18 | C19 | H11 | 173.5° | 60.0° |
| N9 | C18 | C19 | H12 | 54.6° | 60.0° |
| C23 | C3 | C4 | C5 | 179.5° | 180.0° |
| C23 | C3 | C4 | C21 | 0.7° | 0.0° |
| C3 | C23 | C22 | C21 | 13.1° | 0.0° |
| C23 | C3 | C2 | H2 | 0.4° | 0.0° |
| C3 | C23 | C22 | H16 | 106.1° | 119.0° |
| C3 | C23 | C22 | H17 | 132.3° | 119.0° |
| C4 | C3 | C23 | C22 | 9.0° | 0.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | C21 | 179.8° | 180.0° |
| C3 | C4 | C21 | C22 | 7.7° | 0.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | H3 | 179.9° | 180.0° |
| C3 | C4 | C21 | H14 | 111.9° | 119.2° |
| C3 | C4 | C21 | H15 | 127.3° | 119.3° |
| N9 | C8 | C7 | H4 | 180.0° | 179.9° |
| N9 | C8 | C7 | C6 | 179.4° | 180.0° |
| N9 | C8 | C7 | C11 | 0.4° | 0.3° |
| C8 | N9 | N10 | C11 | 1.1° | 0.3° |
| C8 | N9 | C18 | H9 | 160.2° | 115.1° |
| C8 | N9 | C18 | H10 | 79.2° | 4.9° |
| C7 | C8 | N9 | N10 | 0.9° | 0.0° |
| C8 | C7 | C6 | C11 | 178.7° | 179.6° |
| C8 | C7 | C6 | C5 | 145.5° | 49.9° |
| C8 | C7 | C11 | N10 | 0.2° | 0.4° |
| C8 | C7 | C11 | C12 | 179.5° | 179.7° |
| C23 | C22 | C21 | C4 | 12.7° | 0.0° |
| C23 | C22 | C21 | H16 | 119.2° | 119.0° |
| C23 | C22 | C21 | H17 | 119.2° | 119.0° |
| C23 | C22 | C21 | H14 | 106.9° | 119.3° |
| C23 | C22 | C21 | H15 | 132.3° | 119.2° |
| C23 | C22 | H16 | H17 | 122.4° | 122.1° |
| N9 | N10 | C11 | C7 | 0.8° | 0.4° |
| N9 | N10 | C11 | C12 | 179.9° | 179.7° |
| N10 | N9 | C8 | H4 | 179.1° | 180.0° |
| N10 | N9 | C18 | H9 | 18.0° | 65.0° |
| N10 | N9 | C18 | H10 | 102.6° | 175.0° |
| C14 | C13 | C12 | H5 | 180.0° | 180.0° |
| C13 | C14 | N15 | H6 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 178.9° | 180.0° |
| C14 | C13 | C12 | C17 | 1.5° | 0.3° |
| C13 | C14 | N15 | C16 | 0.2° | 0.0° |
| C13 | C12 | C11 | C7 | 39.2° | 34.7° |
| C13 | C12 | C11 | N10 | 140.0° | 145.5° |
| C12 | C13 | C14 | N15 | 1.0° | 0.0° |
| C13 | C12 | C11 | C17 | 177.4° | 179.7° |
| C13 | C12 | C17 | C16 | 1.2° | 0.6° |
| C12 | C13 | C14 | H6 | 179.0° | 179.9° |
| C13 | C12 | C17 | H8 | 178.8° | 179.7° |
| C6 | C7 | C11 | N10 | 178.6° | 179.9° |
| C6 | C7 | C11 | C12 | 0.7° | 0.0° |
| C7 | C6 | C5 | C4 | 179.4° | 179.8° |
| C7 | C6 | C1 | H1 | 0.3° | 0.1° |
| C7 | C6 | C5 | H3 | 0.6° | 0.2° |
| C6 | C7 | C8 | H4 | 0.6° | 0.1° |
| C5 | C6 | C7 | C11 | 35.8° | 129.8° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | C21 | 179.7° | 179.9° |
| C5 | C6 | C1 | H1 | 179.5° | 179.8° |
| C7 | C11 | N10 | C12 | 179.3° | 179.8° |
| C7 | C11 | C12 | C17 | 143.4° | 145.0° |
| C11 | C7 | C8 | H4 | 179.5° | 179.8° |
| N10 | C11 | C12 | C17 | 37.4° | 34.8° |
| C14 | N15 | C16 | C17 | 0.2° | 0.3° |
| N15 | C14 | C13 | H5 | 179.0° | 179.9° |
| C14 | N15 | C16 | H7 | 179.8° | 180.0° |
| C11 | C12 | C17 | C16 | 178.7° | 179.7° |
| C11 | C12 | C13 | H5 | 1.1° | 0.0° |
| C11 | C12 | C17 | H8 | 1.3° | 0.0° |
| C12 | C17 | C16 | N15 | 0.4° | 0.6° |
| C12 | C17 | C16 | H8 | 180.0° | 179.7° |
| C17 | C12 | C13 | H5 | 178.5° | 179.8° |
| C12 | C17 | C16 | H7 | 179.6° | 179.7° |
| C5 | C4 | C21 | C22 | 172.1° | 180.0° |
| C5 | C4 | C21 | H14 | 68.3° | 60.8° |
| C5 | C4 | C21 | H15 | 52.5° | 60.7° |
| C4 | C21 | C22 | H14 | 119.6° | 119.3° |
| C4 | C21 | C22 | H15 | 119.6° | 119.2° |
| C21 | C4 | C5 | H3 | 0.3° | 0.0° |
| C4 | C21 | H14 | H15 | 121.1° | 121.5° |
| C4 | C21 | C22 | H16 | 106.5° | 119.0° |
| C4 | C21 | C22 | H17 | 131.9° | 119.0° |
| C22 | C21 | H14 | H15 | 121.1° | 121.6° |
| C21 | C22 | H16 | H17 | 122.4° | 122.0° |
| N15 | C16 | C17 | H7 | 180.0° | 179.7° |
| C16 | N15 | C14 | H6 | 179.9° | 180.0° |
| N15 | C16 | C17 | H8 | 179.6° | 179.7° |
| H1 | C1 | C2 | H2 | 0.3° | 0.3° |
| H5 | C13 | C14 | H6 | 1.0° | 0.0° |
| H7 | C16 | C17 | H8 | 0.4° | 0.0° |
| H9 | C18 | C19 | H11 | 66.8° | 180.0° |
| H9 | C18 | C19 | H12 | 174.3° | 59.9° |
| H10 | C18 | C19 | H11 | 53.8° | 59.9° |
| H10 | C18 | C19 | H12 | 65.2° | 180.0° |
| H11 | C19 | O20 | H13 | 59.5° | 59.9° |
| H12 | C19 | O20 | H13 | 59.4° | 60.0° |
| H14 | C21 | C22 | H16 | 133.9° | 0.3° |
| H14 | C21 | C22 | H17 | 12.3° | 121.7° |
| H15 | C21 | C22 | H16 | 13.1° | 121.8° |
| H15 | C21 | C22 | H17 | 108.5° | 0.2° |
