C92
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.54Å | 1.52Å | |
| C23 | C12 | sing | 1.54Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.55Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.55Å | 1.54Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | C12 | sing | 1.54Å | 1.54Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C11 | N10 | sing | 1.47Å | 1.47Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| N10 | C8 | sing | 1.35Å | 1.34Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| O9 | C8 | doub | 1.22Å | 1.23Å | |
| C8 | C4 | sing | 1.48Å | 1.53Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.48Å | 1.54Å | |
| C1 | O15 | doub | 1.22Å | 1.23Å | |
| C1 | N16 | sing | 1.35Å | 1.34Å | |
| N16 | C17 | sing | 1.40Å | 1.35Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N19 | C20 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | N27 | sing | 1.39Å | 1.33Å | |
| N27 | HN27 | sing | 0.97Å | 1.00Å | |
| N27 | HN2A | sing | 0.97Å | 1.00Å | |
| C18 | N19 | sing | 1.32Å | 1.33Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C12 | 102.2° | 106.6° |
| C24 | C23 | H23 | 112.0° | 110.1° |
| C24 | C23 | H23A | 113.5° | 110.1° |
| C23 | C24 | C25 | 103.1° | 104.2° |
| C23 | C24 | H24 | 111.7° | 110.5° |
| C23 | C24 | H24A | 113.0° | 110.5° |
| C12 | C23 | H23 | 112.0° | 110.0° |
| C12 | C23 | H23A | 113.5° | 110.0° |
| C23 | C12 | C26 | 104.8° | 106.5° |
| C23 | C12 | C13 | 109.2° | 110.0° |
| C23 | C12 | H12 | 112.5° | 110.0° |
| H23 | C23 | H23A | 104.0° | 110.0° |
| C25 | C24 | H24 | 111.6° | 110.5° |
| C25 | C24 | H24A | 113.0° | 110.5° |
| C24 | C25 | C26 | 105.1° | 102.8° |
| C24 | C25 | H25 | 111.0° | 110.8° |
| C24 | C25 | H25A | 111.9° | 110.7° |
| H24 | C24 | H24A | 104.7° | 110.4° |
| C26 | C25 | H25 | 111.0° | 110.8° |
| C26 | C25 | H25A | 111.9° | 110.8° |
| C25 | C26 | C12 | 106.1° | 104.2° |
| C25 | C26 | H26 | 110.6° | 110.5° |
| C25 | C26 | H26A | 111.3° | 110.5° |
| H25 | C25 | H25A | 106.1° | 110.7° |
| C12 | C26 | H26 | 110.6° | 110.5° |
| C12 | C26 | H26A | 111.3° | 110.5° |
| C26 | C12 | C13 | 109.2° | 110.0° |
| C26 | C12 | H12 | 112.6° | 110.1° |
| H26 | C26 | H26A | 106.9° | 110.5° |
| C13 | C12 | H12 | 108.4° | 110.1° |
| C12 | C13 | C11 | 110.0° | 109.4° |
| C12 | C13 | H13 | 109.3° | 109.4° |
| C12 | C13 | H13A | 109.2° | 109.5° |
| C11 | C13 | H13 | 109.3° | 109.5° |
| C11 | C13 | H13A | 109.1° | 109.5° |
| C13 | C11 | N10 | 110.5° | 109.5° |
| C13 | C11 | H11 | 109.1° | 109.5° |
| C13 | C11 | H11A | 108.9° | 109.5° |
| H13 | C13 | H13A | 109.9° | 109.5° |
| N10 | C11 | H11 | 109.1° | 109.5° |
| N10 | C11 | H11A | 108.9° | 109.4° |
| C11 | N10 | C8 | 123.0° | 120.0° |
| C11 | N10 | HN10 | 118.5° | 120.0° |
| H11 | C11 | H11A | 110.3° | 109.5° |
| C8 | N10 | HN10 | 118.5° | 119.9° |
| N10 | C8 | O9 | 124.4° | 120.0° |
| N10 | C8 | C4 | 115.5° | 120.0° |
| O9 | C8 | C4 | 120.1° | 120.0° |
| C8 | C4 | C5 | 121.7° | 120.0° |
| C8 | C4 | C3 | 118.1° | 120.1° |
| C5 | C4 | C3 | 120.1° | 119.9° |
| C4 | C5 | C6 | 119.4° | 120.1° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C4 | C3 | C2 | 120.8° | 119.7° |
| C4 | C3 | H3 | 119.6° | 120.1° |
| C2 | C3 | H3 | 119.6° | 120.1° |
| C3 | C2 | C7 | 119.2° | 119.9° |
| C3 | C2 | C1 | 117.3° | 120.1° |
| C6 | C5 | H5 | 120.3° | 119.9° |
| C5 | C6 | C7 | 120.5° | 120.3° |
| C5 | C6 | H6 | 119.8° | 119.9° |
| C7 | C6 | H6 | 119.7° | 119.8° |
| C6 | C7 | C2 | 119.9° | 120.1° |
| C6 | C7 | C14 | 118.6° | 119.9° |
| C2 | C7 | C14 | 121.5° | 120.0° |
| C7 | C2 | C1 | 123.4° | 120.0° |
| C7 | C14 | H14 | 109.5° | 109.5° |
| C7 | C14 | H14A | 109.4° | 109.5° |
| C7 | C14 | H14B | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.4° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| C2 | C1 | O15 | 118.4° | 120.0° |
| C2 | C1 | N16 | 117.2° | 120.0° |
| O15 | C1 | N16 | 124.3° | 120.0° |
| C1 | N16 | C17 | 124.0° | 120.0° |
| C1 | N16 | HN16 | 118.0° | 120.0° |
| C17 | N16 | HN16 | 118.0° | 120.0° |
| N16 | C17 | C18 | 119.4° | 120.4° |
| N16 | C17 | C22 | 122.6° | 120.4° |
| C18 | C17 | C22 | 118.0° | 119.2° |
| C17 | C18 | N19 | 121.1° | 120.8° |
| C17 | C18 | H18 | 119.5° | 119.7° |
| C17 | C22 | C21 | 119.9° | 118.4° |
| C17 | C22 | H22 | 120.1° | 120.8° |
| C21 | C22 | H22 | 120.0° | 120.8° |
| C22 | C21 | C20 | 119.0° | 119.2° |
| C22 | C21 | H21 | 120.5° | 120.4° |
| C20 | C21 | H21 | 120.5° | 120.4° |
| C21 | C20 | N19 | 120.1° | 120.7° |
| C21 | C20 | N27 | 119.8° | 119.6° |
| N19 | C20 | N27 | 120.1° | 119.6° |
| C20 | N19 | C18 | 121.9° | 121.7° |
| C20 | N27 | HN27 | 109.5° | 120.0° |
| C20 | N27 | HN2A | 109.5° | 120.0° |
| HN27 | N27 | HN2A | 109.4° | 120.0° |
| N19 | C18 | H18 | 119.4° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C12 | H23 | 120.0° | 119.4° |
| C24 | C23 | C12 | H23A | 122.6° | 119.4° |
| C24 | C23 | H23 | H23A | 123.0° | 121.5° |
| C23 | C24 | C25 | H24 | 120.0° | 118.7° |
| C23 | C24 | C25 | H24A | 122.3° | 118.7° |
| C23 | C24 | H24 | H24A | 122.6° | 122.6° |
| C23 | C24 | C25 | C26 | 32.9° | 37.9° |
| C23 | C24 | C25 | H25 | 87.1° | 156.3° |
| C23 | C24 | C25 | H25A | 154.6° | 80.4° |
| C24 | C23 | C12 | C26 | 37.3° | 0.0° |
| C24 | C23 | C12 | C13 | 154.2° | 119.3° |
| C24 | C23 | C12 | H12 | 85.4° | 119.3° |
| C12 | C23 | H23 | H23A | 122.9° | 121.3° |
| C12 | C23 | C24 | C25 | 43.4° | 23.6° |
| C12 | C23 | C24 | H24 | 163.4° | 95.1° |
| C12 | C23 | C24 | H24A | 79.0° | 142.3° |
| C23 | C12 | C26 | C25 | 17.0° | 23.6° |
| C23 | C12 | C26 | C13 | 116.9° | 119.3° |
| C23 | C12 | C26 | H12 | 122.6° | 119.3° |
| C23 | C12 | C26 | H26 | 103.0° | 95.1° |
| C23 | C12 | C26 | H26A | 138.3° | 142.3° |
| C23 | C12 | C13 | H12 | 123.0° | 121.4° |
| C23 | C12 | C13 | C11 | 105.5° | 175.0° |
| C23 | C12 | C13 | H13 | 14.5° | 55.0° |
| C23 | C12 | C13 | H13A | 134.7° | 65.0° |
| H23 | C23 | C24 | C25 | 163.4° | 95.7° |
| H23 | C23 | C24 | H24 | 76.6° | 145.6° |
| H23 | C23 | C24 | H24A | 41.0° | 23.0° |
| H23 | C23 | C12 | C26 | 157.3° | 119.3° |
| H23 | C23 | C12 | C13 | 85.8° | 121.4° |
| H23 | C23 | C12 | H12 | 34.6° | 0.1° |
| H23A | C23 | C24 | C25 | 79.2° | 142.9° |
| H23A | C23 | C24 | H24 | 40.8° | 24.2° |
| H23A | C23 | C24 | H24A | 158.5° | 98.4° |
| H23A | C23 | C12 | C26 | 85.3° | 119.4° |
| H23A | C23 | C12 | C13 | 31.6° | 0.1° |
| H23A | C23 | C12 | H12 | 152.0° | 121.3° |
| C25 | C24 | H24 | H24A | 122.6° | 122.6° |
| C24 | C25 | C26 | H25 | 120.0° | 118.4° |
| C24 | C25 | C26 | H25A | 121.7° | 118.3° |
| C24 | C25 | H25 | H25A | 121.8° | 123.3° |
| C24 | C25 | C26 | C12 | 9.8° | 37.9° |
| C24 | C25 | C26 | H26 | 129.8° | 80.7° |
| C24 | C25 | C26 | H26A | 111.5° | 156.6° |
| H24 | C24 | C25 | C26 | 152.9° | 80.8° |
| H24 | C24 | C25 | H25 | 32.9° | 37.6° |
| H24 | C24 | C25 | H25A | 85.4° | 160.9° |
| H24A | C24 | C25 | C26 | 89.4° | 156.7° |
| H24A | C24 | C25 | H25 | 150.6° | 85.0° |
| H24A | C24 | C25 | H25A | 32.3° | 38.3° |
| C26 | C25 | H25 | H25A | 121.8° | 123.3° |
| C25 | C26 | C12 | H26 | 120.0° | 118.7° |
| C25 | C26 | C12 | H26A | 121.3° | 118.7° |
| C25 | C26 | H26 | H26A | 121.3° | 122.6° |
| C25 | C26 | C12 | C13 | 133.9° | 142.9° |
| C25 | C26 | C12 | H12 | 105.6° | 95.7° |
| H25 | C25 | C26 | C12 | 110.2° | 156.3° |
| H25 | C25 | C26 | H26 | 9.8° | 37.6° |
| H25 | C25 | C26 | H26A | 128.5° | 85.0° |
| H25A | C25 | C26 | C12 | 131.4° | 80.4° |
| H25A | C25 | C26 | H26 | 108.5° | 161.0° |
| H25A | C25 | C26 | H26A | 10.2° | 38.3° |
| C12 | C26 | H26 | H26A | 121.4° | 122.6° |
| C26 | C12 | C13 | H12 | 123.0° | 121.5° |
| C26 | C12 | C13 | C11 | 140.5° | 67.8° |
| C26 | C12 | C13 | H13 | 99.5° | 172.1° |
| C26 | C12 | C13 | H13A | 20.7° | 52.1° |
| H26 | C26 | C12 | C13 | 13.9° | 24.2° |
| H26 | C26 | C12 | H12 | 134.4° | 145.7° |
| H26A | C26 | C12 | C13 | 104.8° | 98.4° |
| H26A | C26 | C12 | H12 | 15.6° | 23.0° |
| C12 | C13 | C11 | H13 | 120.0° | 120.0° |
| C12 | C13 | C11 | H13A | 119.8° | 120.0° |
| C12 | C13 | H13 | H13A | 119.8° | 120.0° |
| C12 | C13 | C11 | N10 | 138.8° | 180.0° |
| C12 | C13 | C11 | H11 | 18.8° | 60.0° |
| C12 | C13 | C11 | H11A | 101.6° | 60.0° |
| H12 | C12 | C13 | C11 | 17.5° | 53.6° |
| H12 | C12 | C13 | H13 | 137.5° | 66.4° |
| H12 | C12 | C13 | H13A | 102.3° | 173.6° |
| C11 | C13 | H13 | H13A | 119.8° | 120.0° |
| C13 | C11 | N10 | H11 | 120.0° | 120.0° |
| C13 | C11 | N10 | H11A | 119.6° | 120.0° |
| C13 | C11 | H11 | H11A | 119.6° | 120.1° |
| C13 | C11 | N10 | C8 | 81.0° | 180.0° |
| C13 | C11 | N10 | HN10 | 99.0° | 0.0° |
| H13 | C13 | C11 | N10 | 101.2° | 60.0° |
| H13 | C13 | C11 | H11 | 138.8° | 180.0° |
| H13 | C13 | C11 | H11A | 18.4° | 60.0° |
| H13A | C13 | C11 | N10 | 19.1° | 60.0° |
| H13A | C13 | C11 | H11 | 100.9° | 60.0° |
| H13A | C13 | C11 | H11A | 138.7° | 180.0° |
| N10 | C11 | H11 | H11A | 119.6° | 119.9° |
| C11 | N10 | C8 | HN10 | 180.0° | 180.0° |
| C11 | N10 | C8 | O9 | 0.5° | 0.0° |
| C11 | N10 | C8 | C4 | 179.2° | 180.0° |
| H11 | C11 | N10 | C8 | 39.0° | 60.0° |
| H11 | C11 | N10 | HN10 | 141.0° | 120.0° |
| H11A | C11 | N10 | C8 | 159.5° | 60.0° |
| H11A | C11 | N10 | HN10 | 20.5° | 120.0° |
| N10 | C8 | O9 | C4 | 178.7° | 180.0° |
| N10 | C8 | C4 | C5 | 23.5° | 0.1° |
| N10 | C8 | C4 | C3 | 155.7° | 179.8° |
| HN10 | N10 | C8 | O9 | 179.5° | 180.0° |
| HN10 | N10 | C8 | C4 | 0.8° | 0.0° |
| O9 | C8 | C4 | C5 | 157.7° | 179.9° |
| O9 | C8 | C4 | C3 | 23.1° | 0.2° |
| C8 | C4 | C5 | C3 | 179.2° | 179.8° |
| C8 | C4 | C3 | C2 | 179.8° | 180.0° |
| C8 | C4 | C3 | H3 | 0.1° | 0.1° |
| C8 | C4 | C5 | C6 | 179.4° | 180.0° |
| C8 | C4 | C5 | H5 | 0.6° | 0.1° |
| C5 | C4 | C3 | C2 | 1.0° | 0.2° |
| C5 | C4 | C3 | H3 | 179.1° | 179.8° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.2° | 0.1° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | C5 | H5 | 179.8° | 179.7° |
| C4 | C3 | C2 | C7 | 1.3° | 0.1° |
| C4 | C3 | C2 | C1 | 179.3° | 180.0° |
| C3 | C2 | C7 | C6 | 0.9° | 0.3° |
| C3 | C2 | C7 | C1 | 177.9° | 180.0° |
| C3 | C2 | C7 | C14 | 179.3° | 180.0° |
| C3 | C2 | C1 | O15 | 74.6° | 173.9° |
| C3 | C2 | C1 | N16 | 104.6° | 6.1° |
| H3 | C3 | C2 | C7 | 178.7° | 180.0° |
| H3 | C3 | C2 | C1 | 0.7° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.2° | 0.3° |
| C5 | C6 | C7 | C14 | 179.9° | 180.0° |
| H5 | C5 | C6 | C7 | 179.8° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| C6 | C7 | C2 | C14 | 179.8° | 179.7° |
| C6 | C7 | C14 | H14 | 102.1° | 96.7° |
| C6 | C7 | C14 | H14A | 17.9° | 143.4° |
| C6 | C7 | C14 | H14B | 137.9° | 23.4° |
| C6 | C7 | C2 | C1 | 178.8° | 179.8° |
| H6 | C6 | C7 | C2 | 179.8° | 179.7° |
| H6 | C6 | C7 | C14 | 0.0° | 0.0° |
| C2 | C7 | C14 | H14 | 78.1° | 83.6° |
| C2 | C7 | C14 | H14A | 161.9° | 36.3° |
| C2 | C7 | C14 | H14B | 41.9° | 156.4° |
| C7 | C2 | C1 | O15 | 103.3° | 6.1° |
| C7 | C2 | C1 | N16 | 77.5° | 173.9° |
| C7 | C14 | H14 | H14A | 120.0° | 120.0° |
| C7 | C14 | H14 | H14B | 120.0° | 120.0° |
| C7 | C14 | H14A | H14B | 120.0° | 120.0° |
| C14 | C7 | C2 | C1 | 1.4° | 0.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| C2 | C1 | O15 | N16 | 179.1° | 180.0° |
| C2 | C1 | N16 | C17 | 179.7° | 175.2° |
| C2 | C1 | N16 | HN16 | 0.3° | 4.7° |
| O15 | C1 | N16 | C17 | 0.5° | 4.8° |
| O15 | C1 | N16 | HN16 | 179.5° | 175.3° |
| C1 | N16 | C17 | HN16 | 180.0° | 179.9° |
| C1 | N16 | C17 | C18 | 174.0° | 147.7° |
| C1 | N16 | C17 | C22 | 6.0° | 32.5° |
| N16 | C17 | C18 | C22 | 180.0° | 179.7° |
| N16 | C17 | C22 | C21 | 179.9° | 180.0° |
| N16 | C17 | C22 | H22 | 0.1° | 0.1° |
| N16 | C17 | C18 | N19 | 180.0° | 179.7° |
| N16 | C17 | C18 | H18 | 0.1° | 0.1° |
| HN16 | N16 | C17 | C18 | 6.0° | 32.4° |
| HN16 | N16 | C17 | C22 | 174.0° | 147.4° |
| C18 | C17 | C22 | C21 | 0.1° | 0.3° |
| C18 | C17 | C22 | H22 | 179.8° | 179.8° |
| C17 | C18 | N19 | C20 | 0.2° | 0.5° |
| C17 | C18 | N19 | H18 | 180.0° | 179.8° |
| C17 | C22 | C21 | H22 | 180.0° | 179.9° |
| C17 | C22 | C21 | C20 | 0.2° | 0.1° |
| C17 | C22 | C21 | H21 | 179.9° | 180.0° |
| C22 | C17 | C18 | N19 | 0.0° | 0.5° |
| C22 | C17 | C18 | H18 | 180.0° | 179.7° |
| C22 | C21 | C20 | H21 | 180.0° | 179.9° |
| C22 | C21 | C20 | N19 | 0.0° | 0.1° |
| C22 | C21 | C20 | N27 | 179.9° | 180.0° |
| H22 | C22 | C21 | C20 | 179.8° | 180.0° |
| H22 | C22 | C21 | H21 | 0.1° | 0.1° |
| C21 | C20 | N19 | N27 | 179.9° | 180.0° |
| C21 | C20 | N27 | HN27 | 81.9° | 0.0° |
| C21 | C20 | N27 | HN2A | 158.1° | 179.9° |
| C21 | C20 | N19 | C18 | 0.1° | 0.3° |
| H21 | C21 | C20 | N19 | 180.0° | 180.0° |
| H21 | C21 | C20 | N27 | 0.1° | 0.0° |
| N19 | C20 | N27 | HN27 | 98.2° | 180.0° |
| N19 | C20 | N27 | HN2A | 21.8° | 0.0° |
| C20 | N19 | C18 | H18 | 179.8° | 179.7° |
| C20 | N27 | HN27 | HN2A | 120.0° | 180.0° |
| N27 | C20 | N19 | C18 | 179.8° | 179.7° |
