26U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N1 | sing | 1.48Å | 1.46Å | |
| C1 | N1 | sing | 1.47Å | 1.44Å | |
| N1 | C14 | sing | 1.35Å | 1.29Å | |
| C2 | C1 | sing | 1.54Å | 1.55Å | |
| C7 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O22 | C7 | doub | 1.21Å | 1.22Å | |
| C7 | N23 | sing | 1.35Å | 1.28Å | |
| C24 | N23 | sing | 1.46Å | 1.46Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C21 | sing | 1.48Å | 1.52Å | |
| C21 | N46 | doub | 1.30Å | 1.29Å | |
| C21 | N47 | sing | 1.38Å | 1.29Å | |
| N46 | HN46 | sing | 0.97Å | 1.00Å | |
| N47 | HN47 | sing | 0.97Å | 1.00Å | |
| N47 | HN4A | sing | 0.97Å | 1.00Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.55Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.55Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | O32 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C33 | sing | 1.53Å | 1.55Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C33 | C17 | sing | 1.53Å | 1.55Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C12 | C17 | sing | 1.53Å | 1.55Å | |
| C17 | C49 | sing | 1.53Å | 1.56Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C49 | H49B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N1 | C1 | 123.8° | 108.7° |
| C4 | N1 | C14 | 117.6° | 125.6° |
| N1 | C4 | C3 | 98.3° | 104.7° |
| N1 | C4 | H4 | 113.4° | 110.7° |
| N1 | C4 | H4A | 115.7° | 110.1° |
| C1 | N1 | C14 | 116.9° | 125.7° |
| N1 | C1 | C2 | 98.6° | 107.3° |
| N1 | C1 | C7 | 112.3° | 109.9° |
| N1 | C1 | H1 | 114.5° | 109.9° |
| N1 | C14 | O32 | 118.1° | 120.0° |
| N1 | C14 | C15 | 121.3° | 120.0° |
| C2 | C1 | C7 | 109.0° | 110.0° |
| C2 | C1 | H1 | 117.5° | 109.9° |
| C1 | C2 | C3 | 108.6° | 102.9° |
| C1 | C2 | H2 | 109.7° | 110.7° |
| C1 | C2 | H2A | 110.0° | 110.8° |
| C7 | C1 | H1 | 105.1° | 109.9° |
| C1 | C7 | O22 | 115.4° | 120.0° |
| C1 | C7 | N23 | 116.3° | 120.0° |
| O22 | C7 | N23 | 128.2° | 120.0° |
| C7 | N23 | C24 | 114.9° | 120.0° |
| C7 | N23 | HN23 | 122.5° | 120.0° |
| C24 | N23 | HN23 | 122.5° | 120.0° |
| N23 | C24 | C25 | 109.2° | 109.5° |
| N23 | C24 | H24 | 109.6° | 109.5° |
| N23 | C24 | H24A | 109.6° | 109.5° |
| C25 | C24 | H24 | 109.6° | 109.5° |
| C25 | C24 | H24A | 109.6° | 109.4° |
| C24 | C25 | C26 | 121.0° | 119.9° |
| C24 | C25 | C30 | 120.3° | 119.9° |
| H24 | C24 | H24A | 109.2° | 109.4° |
| C26 | C25 | C30 | 118.7° | 120.3° |
| C25 | C26 | C27 | 119.5° | 120.1° |
| C25 | C26 | H26 | 120.2° | 120.0° |
| C25 | C30 | C29 | 121.6° | 120.1° |
| C25 | C30 | H30 | 119.2° | 120.0° |
| C27 | C26 | H26 | 120.2° | 119.9° |
| C26 | C27 | C28 | 121.5° | 119.9° |
| C26 | C27 | H27 | 119.2° | 120.1° |
| C28 | C27 | H27 | 119.2° | 120.1° |
| C27 | C28 | C29 | 118.5° | 119.7° |
| C27 | C28 | C21 | 122.2° | 120.2° |
| C29 | C28 | C21 | 119.4° | 120.1° |
| C28 | C29 | C30 | 120.1° | 119.9° |
| C28 | C29 | H29 | 119.9° | 120.1° |
| C28 | C21 | N46 | 116.6° | 119.9° |
| C28 | C21 | N47 | 118.1° | 120.0° |
| N46 | C21 | N47 | 125.3° | 120.0° |
| C21 | N46 | HN46 | 108.2° | 120.0° |
| C21 | N47 | HN47 | 108.2° | 120.0° |
| C21 | N47 | HN4A | 125.9° | 120.1° |
| HN47 | N47 | HN4A | 125.9° | 120.0° |
| C30 | C29 | H29 | 119.9° | 120.1° |
| C29 | C30 | H30 | 119.2° | 119.9° |
| C3 | C2 | H2 | 109.8° | 110.7° |
| C3 | C2 | H2A | 109.9° | 110.9° |
| C2 | C3 | C4 | 109.8° | 101.5° |
| C2 | C3 | H3 | 109.4° | 111.0° |
| C2 | C3 | H3A | 109.3° | 111.0° |
| H2 | C2 | H2A | 108.8° | 110.6° |
| C4 | C3 | H3 | 109.4° | 111.2° |
| C3 | C4 | H4 | 113.4° | 110.4° |
| C4 | C3 | H3A | 109.3° | 110.9° |
| C3 | C4 | H4A | 115.6° | 110.4° |
| H3 | C3 | H3A | 109.7° | 110.9° |
| H4 | C4 | H4A | 101.2° | 110.4° |
| O32 | C14 | C15 | 120.6° | 119.9° |
| C14 | C15 | C33 | 114.4° | 109.5° |
| C14 | C15 | H15 | 107.9° | 109.4° |
| C14 | C15 | H15A | 106.8° | 109.5° |
| C33 | C15 | H15 | 107.9° | 109.5° |
| C33 | C15 | H15A | 106.7° | 109.5° |
| C15 | C33 | C17 | 117.9° | 109.5° |
| C15 | C33 | H33 | 106.8° | 109.5° |
| C15 | C33 | H33A | 104.8° | 109.5° |
| H15 | C15 | H15A | 113.3° | 109.5° |
| C17 | C33 | H33 | 106.7° | 109.5° |
| C17 | C33 | H33A | 104.8° | 109.5° |
| C33 | C17 | C12 | 114.6° | 109.5° |
| C33 | C17 | C49 | 114.1° | 109.5° |
| C33 | C17 | H17 | 102.5° | 109.5° |
| H33 | C33 | H33A | 116.3° | 109.4° |
| C12 | C17 | C49 | 110.3° | 109.5° |
| C12 | C17 | H17 | 107.0° | 109.4° |
| C17 | C12 | H12 | 109.5° | 109.5° |
| C17 | C12 | H12A | 109.5° | 109.5° |
| C17 | C12 | H12B | 109.4° | 109.4° |
| C49 | C17 | H17 | 107.7° | 109.5° |
| C17 | C49 | H49 | 109.5° | 109.5° |
| C17 | C49 | H49A | 109.5° | 109.5° |
| C17 | C49 | H49B | 109.5° | 109.5° |
| H49 | C49 | H49A | 109.4° | 109.4° |
| H49 | C49 | H49B | 109.5° | 109.5° |
| H49A | C49 | H49B | 109.5° | 109.4° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N1 | C1 | C14 | 164.8° | 179.7° |
| C4 | N1 | C1 | C2 | 7.9° | 1.3° |
| C4 | N1 | C1 | C7 | 122.6° | 120.9° |
| C4 | N1 | C1 | H1 | 117.7° | 118.1° |
| N1 | C4 | C3 | C2 | 7.9° | 37.3° |
| N1 | C4 | C3 | H4 | 120.0° | 119.1° |
| N1 | C4 | C3 | H4A | 123.7° | 118.5° |
| N1 | C4 | C3 | H3 | 112.1° | 80.8° |
| N1 | C4 | H4 | H4A | 124.5° | 122.3° |
| C4 | N1 | C14 | O32 | 177.6° | 179.7° |
| C4 | N1 | C14 | C15 | 2.3° | 0.3° |
| N1 | C4 | C3 | H3A | 127.8° | 155.3° |
| N1 | C1 | C2 | C7 | 117.2° | 119.5° |
| N1 | C1 | C2 | H1 | 123.5° | 119.4° |
| N1 | C1 | C7 | H1 | 125.0° | 121.0° |
| N1 | C1 | C7 | O22 | 24.4° | 0.0° |
| N1 | C1 | C7 | N23 | 156.6° | 180.0° |
| N1 | C1 | C2 | C3 | 1.3° | 22.2° |
| N1 | C1 | C2 | H2 | 118.7° | 140.6° |
| N1 | C1 | C2 | H2A | 121.6° | 96.4° |
| C1 | N1 | C4 | C3 | 10.5° | 24.5° |
| C1 | N1 | C4 | H4 | 109.5° | 94.4° |
| C1 | N1 | C14 | O32 | 16.6° | 0.0° |
| C1 | N1 | C14 | C15 | 163.4° | 180.0° |
| C1 | N1 | C4 | H4A | 134.2° | 143.1° |
| C14 | N1 | C1 | C2 | 172.7° | 179.0° |
| C14 | N1 | C1 | C7 | 72.6° | 59.4° |
| C14 | N1 | C1 | H1 | 47.1° | 61.6° |
| C14 | N1 | C4 | C3 | 175.1° | 155.8° |
| C14 | N1 | C4 | H4 | 55.2° | 85.3° |
| N1 | C14 | O32 | C15 | 180.0° | 179.9° |
| N1 | C14 | C15 | C33 | 116.7° | 180.0° |
| N1 | C14 | C15 | H15 | 123.3° | 60.0° |
| N1 | C14 | C15 | H15A | 1.1° | 59.9° |
| C14 | N1 | C4 | H4A | 61.2° | 37.1° |
| C2 | C1 | C7 | H1 | 126.7° | 121.1° |
| C2 | C1 | C7 | O22 | 83.9° | 117.9° |
| C2 | C1 | C7 | N23 | 95.2° | 62.1° |
| C1 | C2 | C3 | H2 | 120.0° | 118.3° |
| C1 | C2 | C3 | H2A | 120.4° | 118.5° |
| C1 | C2 | H2 | H2A | 120.3° | 123.2° |
| C1 | C2 | C3 | C4 | 4.4° | 35.7° |
| C1 | C2 | C3 | H3 | 115.6° | 82.6° |
| C1 | C2 | C3 | H3A | 124.3° | 153.6° |
| C1 | C7 | O22 | N23 | 179.0° | 180.0° |
| C1 | C7 | N23 | C24 | 179.7° | 180.0° |
| C1 | C7 | N23 | HN23 | 0.3° | 0.0° |
| C7 | C1 | C2 | C3 | 118.6° | 97.3° |
| C7 | C1 | C2 | H2 | 1.4° | 21.1° |
| C7 | C1 | C2 | H2A | 121.1° | 144.2° |
| H1 | C1 | C7 | O22 | 149.4° | 121.0° |
| H1 | C1 | C7 | N23 | 31.5° | 59.0° |
| H1 | C1 | C2 | C3 | 122.1° | 141.6° |
| H1 | C1 | C2 | H2 | 117.8° | 100.0° |
| H1 | C1 | C2 | H2A | 1.8° | 23.1° |
| O22 | C7 | N23 | C24 | 0.8° | 0.0° |
| O22 | C7 | N23 | HN23 | 179.2° | 180.0° |
| C7 | N23 | C24 | HN23 | 180.0° | 179.9° |
| C7 | N23 | C24 | C25 | 111.3° | 180.0° |
| C7 | N23 | C24 | H24 | 128.7° | 60.0° |
| C7 | N23 | C24 | H24A | 8.9° | 60.0° |
| N23 | C24 | C25 | H24 | 120.0° | 120.1° |
| N23 | C24 | C25 | H24A | 120.1° | 120.0° |
| N23 | C24 | H24 | H24A | 120.1° | 120.0° |
| N23 | C24 | C25 | C26 | 87.8° | 90.0° |
| N23 | C24 | C25 | C30 | 92.2° | 90.2° |
| HN23 | N23 | C24 | C25 | 68.8° | 0.1° |
| HN23 | N23 | C24 | H24 | 51.3° | 120.0° |
| HN23 | N23 | C24 | H24A | 171.1° | 120.0° |
| C25 | C24 | H24 | H24A | 120.1° | 119.9° |
| C24 | C25 | C26 | C30 | 180.0° | 179.8° |
| C24 | C25 | C26 | C27 | 180.0° | 179.9° |
| C24 | C25 | C26 | H26 | 0.0° | 0.1° |
| C24 | C25 | C30 | C29 | 180.0° | 179.6° |
| C24 | C25 | C30 | H30 | 0.0° | 0.0° |
| H24 | C24 | C25 | C26 | 32.2° | 30.1° |
| H24 | C24 | C25 | C30 | 147.8° | 149.7° |
| H24A | C24 | C25 | C26 | 152.1° | 150.0° |
| H24A | C24 | C25 | C30 | 27.9° | 29.8° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| C26 | C25 | C30 | C29 | 0.0° | 0.5° |
| C26 | C25 | C30 | H30 | 180.0° | 179.8° |
| C30 | C25 | C26 | C27 | 0.0° | 0.2° |
| C30 | C25 | C26 | H26 | 180.0° | 179.7° |
| C25 | C30 | C29 | C28 | 0.0° | 0.6° |
| C25 | C30 | C29 | H30 | 180.0° | 179.7° |
| C25 | C30 | C29 | H29 | 180.0° | 179.8° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.1° |
| C26 | C27 | C28 | C21 | 179.9° | 180.0° |
| H26 | C26 | C27 | C28 | 180.0° | 180.0° |
| H26 | C26 | C27 | H27 | 0.0° | 0.0° |
| C27 | C28 | C29 | C21 | 179.9° | 180.0° |
| C27 | C28 | C21 | N46 | 161.3° | 0.0° |
| C27 | C28 | C21 | N47 | 18.7° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.3° |
| C27 | C28 | C29 | H29 | 180.0° | 180.0° |
| H27 | C27 | C28 | C29 | 180.0° | 180.0° |
| H27 | C27 | C28 | C21 | 0.1° | 0.0° |
| C29 | C28 | C21 | N46 | 18.6° | 180.0° |
| C29 | C28 | C21 | N47 | 161.4° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.6° |
| C28 | C29 | C30 | H30 | 180.0° | 179.7° |
| C28 | C21 | N46 | N47 | 180.0° | 180.0° |
| C28 | C21 | N46 | HN46 | 180.0° | 180.0° |
| C28 | C21 | N47 | HN47 | 0.0° | 0.0° |
| C28 | C21 | N47 | HN4A | 180.0° | 180.0° |
| C21 | C28 | C29 | C30 | 179.9° | 179.7° |
| C21 | C28 | C29 | H29 | 0.1° | 0.1° |
| N46 | C21 | N47 | HN47 | 180.0° | 179.9° |
| N46 | C21 | N47 | HN4A | 0.1° | 0.0° |
| N47 | C21 | N46 | HN46 | 0.0° | 0.1° |
| C21 | N47 | HN47 | HN4A | 180.0° | 180.0° |
| H29 | C29 | C30 | H30 | 0.0° | 0.1° |
| C3 | C2 | H2 | H2A | 120.3° | 123.3° |
| C2 | C3 | C4 | H3 | 120.0° | 118.1° |
| C2 | C3 | C4 | H3A | 119.9° | 118.0° |
| C2 | C3 | H3 | H3A | 119.9° | 123.9° |
| C2 | C3 | C4 | H4 | 112.1° | 81.8° |
| C2 | C3 | C4 | H4A | 131.6° | 155.8° |
| H2 | C2 | C3 | C4 | 124.4° | 154.0° |
| H2 | C2 | C3 | H3 | 4.4° | 35.7° |
| H2 | C2 | C3 | H3A | 115.7° | 88.1° |
| H2A | C2 | C3 | C4 | 115.9° | 82.8° |
| H2A | C2 | C3 | H3 | 124.1° | 158.9° |
| H2A | C2 | C3 | H3A | 3.9° | 35.1° |
| C4 | C3 | H3 | H3A | 119.9° | 123.9° |
| C3 | C4 | H4 | H4A | 124.5° | 122.3° |
| H3 | C3 | C4 | H4 | 127.9° | 160.1° |
| H3 | C3 | C4 | H4A | 11.6° | 37.7° |
| H4 | C4 | C3 | H3A | 7.8° | 36.2° |
| O32 | C14 | C15 | C33 | 63.3° | 0.0° |
| O32 | C14 | C15 | H15 | 56.7° | 120.0° |
| O32 | C14 | C15 | H15A | 178.9° | 120.0° |
| C14 | C15 | C33 | H15 | 120.0° | 119.9° |
| C14 | C15 | C33 | H15A | 117.8° | 120.0° |
| C14 | C15 | H15 | H15A | 118.0° | 120.0° |
| C14 | C15 | C33 | C17 | 71.2° | 180.0° |
| C14 | C15 | C33 | H33 | 48.8° | 60.0° |
| C14 | C15 | C33 | H33A | 172.8° | 59.9° |
| C33 | C15 | H15 | H15A | 118.0° | 120.0° |
| C15 | C33 | C17 | H33 | 120.0° | 120.0° |
| C15 | C33 | C17 | H33A | 116.1° | 120.0° |
| C15 | C33 | H33 | H33A | 116.6° | 120.0° |
| C15 | C33 | C17 | C12 | 68.1° | 175.0° |
| C15 | C33 | C17 | C49 | 163.4° | 65.0° |
| C15 | C33 | C17 | H17 | 47.4° | 55.0° |
| H15 | C15 | C33 | C17 | 168.8° | 60.0° |
| H15 | C15 | C33 | H33 | 71.2° | 179.9° |
| H15 | C15 | C33 | H33A | 52.8° | 60.0° |
| H15A | C15 | C33 | C17 | 46.7° | 60.0° |
| H15A | C15 | C33 | H33 | 166.6° | 60.0° |
| H15A | C15 | C33 | H33A | 69.4° | 180.0° |
| C17 | C33 | H33 | H33A | 116.5° | 120.0° |
| C33 | C17 | C12 | C49 | 130.3° | 120.0° |
| C33 | C17 | C12 | H17 | 112.9° | 120.0° |
| C33 | C17 | C49 | H17 | 113.0° | 120.0° |
| C33 | C17 | C49 | H49 | 54.5° | 180.0° |
| C33 | C17 | C49 | H49A | 174.5° | 60.0° |
| C33 | C17 | C49 | H49B | 65.5° | 60.0° |
| C33 | C17 | C12 | H12 | 67.8° | 60.0° |
| C33 | C17 | C12 | H12A | 172.2° | 180.0° |
| C33 | C17 | C12 | H12B | 52.2° | 60.0° |
| H33 | C33 | C17 | C12 | 171.9° | 65.0° |
| H33 | C33 | C17 | C49 | 43.5° | 55.0° |
| H33 | C33 | C17 | H17 | 72.6° | 175.1° |
| H33A | C33 | C17 | C12 | 47.9° | 55.0° |
| H33A | C33 | C17 | C49 | 80.5° | 175.0° |
| H33A | C33 | C17 | H17 | 163.5° | 65.0° |
| C12 | C17 | C49 | H17 | 116.4° | 120.0° |
| C12 | C17 | C49 | H49 | 76.1° | 60.0° |
| C12 | C17 | C49 | H49A | 43.9° | 180.0° |
| C12 | C17 | C49 | H49B | 163.9° | 60.0° |
| C17 | C12 | H12 | H12A | 120.0° | 120.0° |
| C17 | C12 | H12 | H12B | 120.0° | 120.0° |
| C17 | C12 | H12A | H12B | 120.0° | 120.0° |
| C17 | C49 | H49 | H49A | 120.0° | 120.0° |
| C17 | C49 | H49 | H49B | 120.0° | 120.0° |
| C17 | C49 | H49A | H49B | 120.0° | 120.0° |
| C49 | C17 | C12 | H12 | 161.8° | 180.0° |
| C49 | C17 | C12 | H12A | 41.8° | 60.0° |
| C49 | C17 | C12 | H12B | 78.2° | 60.0° |
| H17 | C17 | C49 | H49 | 167.5° | 60.0° |
| H17 | C17 | C49 | H49A | 72.5° | 60.0° |
| H17 | C17 | C49 | H49B | 47.5° | 180.0° |
| H17 | C17 | C12 | H12 | 45.0° | 60.0° |
| H17 | C17 | C12 | H12A | 75.0° | 60.0° |
| H17 | C17 | C12 | H12B | 165.0° | 180.0° |
| H49 | C49 | H49A | H49B | 120.0° | 120.0° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| H3A | C3 | C4 | H4A | 108.5° | 86.2° |
