T22
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C25 | doub | 1.22Å | 1.25Å | |
| N2 | C25 | sing | 1.34Å | 1.36Å | |
| C25 | N15 | sing | 1.35Å | 1.35Å | |
| C1 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C3 | sing | 1.35Å | 1.35Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| N15 | C16 | sing | 1.47Å | 1.49Å | |
| N15 | C6 | sing | 1.37Å | 1.37Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.43Å | 1.31Å | |
| C23 | N24 | trip | 1.14Å | 1.17Å | |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.37Å | 1.40Å | |
| C6 | N7 | sing | 1.37Å | 1.42Å | |
| C3 | C5 | sing | 1.40Å | 1.38Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O4 | C3 | doub | 1.22Å | 1.24Å | |
| C8 | N7 | sing | 1.47Å | 1.47Å | |
| N7 | C14 | sing | 1.47Å | 1.48Å | |
| C14 | C11 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N13 | sing | 1.47Å | 1.49Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N13 | HN13 | sing | 1.01Å | 1.00Å | |
| N13 | HN1A | sing | 1.01Å | 1.00Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C25 | N2 | 118.7° | 119.5° |
| O26 | C25 | N15 | 120.0° | 119.5° |
| N2 | C25 | N15 | 121.3° | 121.0° |
| C25 | N2 | C1 | 118.8° | 119.8° |
| C25 | N2 | C3 | 120.3° | 120.5° |
| C25 | N15 | C16 | 118.8° | 119.8° |
| C25 | N15 | C6 | 119.4° | 120.4° |
| C1 | N2 | C3 | 120.9° | 119.7° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H1A | 109.5° | 109.5° |
| N2 | C1 | H1B | 109.5° | 109.4° |
| N2 | C3 | C5 | 120.5° | 119.6° |
| N2 | C3 | O4 | 122.1° | 120.2° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C16 | N15 | C6 | 121.8° | 119.8° |
| N15 | C16 | C17 | 114.9° | 109.5° |
| N15 | C16 | H16 | 107.7° | 109.5° |
| N15 | C16 | H16A | 106.4° | 109.5° |
| N15 | C6 | C5 | 120.2° | 119.4° |
| N15 | C6 | N7 | 124.7° | 120.3° |
| C17 | C16 | H16 | 107.7° | 109.5° |
| C17 | C16 | H16A | 106.5° | 109.4° |
| C16 | C17 | C18 | 117.1° | 120.1° |
| C16 | C17 | C22 | 123.6° | 120.0° |
| H16 | C16 | H16A | 113.8° | 109.5° |
| C18 | C17 | C22 | 119.2° | 119.9° |
| C17 | C18 | C19 | 121.9° | 120.1° |
| C17 | C18 | H18 | 119.1° | 119.9° |
| C17 | C22 | C21 | 119.0° | 119.7° |
| C17 | C22 | C23 | 123.0° | 120.2° |
| C21 | C22 | C23 | 118.0° | 120.1° |
| C22 | C21 | C20 | 120.9° | 119.9° |
| C22 | C21 | H21 | 119.5° | 120.1° |
| C22 | C23 | N24 | 178.8° | 179.9° |
| C20 | C21 | H21 | 119.5° | 120.0° |
| C21 | C20 | C19 | 119.9° | 120.1° |
| C21 | C20 | H20 | 120.0° | 119.9° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C20 | C19 | C18 | 119.0° | 120.3° |
| C20 | C19 | H19 | 120.5° | 119.8° |
| C18 | C19 | H19 | 120.5° | 119.8° |
| C19 | C18 | H18 | 119.1° | 119.9° |
| C5 | C6 | N7 | 114.7° | 120.3° |
| C6 | C5 | C3 | 118.3° | 119.0° |
| C6 | C5 | H5 | 120.9° | 120.5° |
| C6 | N7 | C8 | 121.0° | 120.6° |
| C6 | N7 | C14 | 121.2° | 120.6° |
| C3 | C5 | H5 | 120.8° | 120.5° |
| C5 | C3 | O4 | 117.4° | 120.2° |
| C8 | N7 | C14 | 116.5° | 118.7° |
| N7 | C8 | C9 | 113.1° | 109.0° |
| N7 | C8 | H8 | 108.3° | 109.6° |
| N7 | C8 | H8A | 107.5° | 109.6° |
| N7 | C14 | C11 | 114.7° | 108.8° |
| N7 | C14 | H14 | 107.7° | 109.6° |
| N7 | C14 | H14A | 106.5° | 109.6° |
| C11 | C14 | H14 | 107.8° | 109.6° |
| C11 | C14 | H14A | 106.5° | 109.6° |
| C14 | C11 | C10 | 110.8° | 109.4° |
| C14 | C11 | N13 | 111.9° | 109.5° |
| C14 | C11 | H11 | 107.1° | 109.5° |
| H14 | C14 | H14A | 113.7° | 109.7° |
| C10 | C11 | N13 | 110.3° | 109.5° |
| C10 | C11 | H11 | 108.8° | 109.6° |
| C11 | C10 | C9 | 111.6° | 109.5° |
| C11 | C10 | H10 | 108.8° | 109.4° |
| C11 | C10 | H10A | 108.3° | 109.5° |
| N13 | C11 | H11 | 107.8° | 109.4° |
| C11 | N13 | HN13 | 109.5° | 111.0° |
| C11 | N13 | HN1A | 109.5° | 111.0° |
| HN13 | N13 | HN1A | 109.4° | 111.0° |
| C9 | C10 | H10 | 108.7° | 109.4° |
| C9 | C10 | H10A | 108.3° | 109.5° |
| C10 | C9 | C8 | 112.5° | 109.4° |
| C10 | C9 | H9 | 108.5° | 109.5° |
| C10 | C9 | H9A | 107.8° | 109.5° |
| H10 | C10 | H10A | 111.2° | 109.5° |
| C8 | C9 | H9 | 108.5° | 109.5° |
| C8 | C9 | H9A | 107.8° | 109.3° |
| C9 | C8 | H8 | 108.3° | 109.5° |
| C9 | C8 | H8A | 107.5° | 109.4° |
| H9 | C9 | H9A | 111.8° | 109.5° |
| H8 | C8 | H8A | 112.3° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C25 | N2 | N15 | 179.5° | 179.7° |
| O26 | C25 | N2 | C1 | 0.3° | 0.0° |
| O26 | C25 | N2 | C3 | 179.6° | 180.0° |
| O26 | C25 | N15 | C16 | 0.8° | 0.1° |
| O26 | C25 | N15 | C6 | 179.6° | 180.0° |
| C25 | N2 | C1 | C3 | 179.3° | 180.0° |
| C25 | N2 | C1 | H1 | 37.6° | 90.0° |
| C25 | N2 | C1 | H1A | 157.6° | 149.9° |
| C25 | N2 | C1 | H1B | 82.4° | 30.0° |
| N2 | C25 | N15 | C16 | 179.8° | 179.7° |
| N2 | C25 | N15 | C6 | 0.9° | 0.4° |
| C25 | N2 | C3 | C5 | 0.1° | 0.0° |
| C25 | N2 | C3 | O4 | 179.7° | 180.0° |
| N15 | C25 | N2 | C1 | 179.1° | 179.7° |
| N15 | C25 | N2 | C3 | 0.2° | 0.3° |
| C25 | N15 | C16 | C6 | 178.8° | 179.9° |
| C25 | N15 | C16 | C17 | 61.5° | 98.6° |
| C25 | N15 | C16 | H16 | 178.5° | 21.4° |
| C25 | N15 | C16 | H16A | 56.0° | 141.4° |
| C25 | N15 | C6 | C5 | 1.3° | 0.1° |
| C25 | N15 | C6 | N7 | 170.8° | 180.0° |
| N2 | C1 | H1 | H1A | 120.0° | 120.0° |
| N2 | C1 | H1 | H1B | 120.0° | 120.0° |
| N2 | C1 | H1A | H1B | 120.0° | 119.9° |
| C1 | N2 | C3 | C5 | 179.4° | 180.0° |
| C1 | N2 | C3 | O4 | 1.0° | 0.0° |
| C3 | N2 | C1 | H1 | 143.1° | 90.0° |
| C3 | N2 | C1 | H1A | 23.1° | 30.1° |
| C3 | N2 | C1 | H1B | 96.9° | 150.0° |
| N2 | C3 | C5 | C6 | 0.3° | 0.3° |
| N2 | C3 | C5 | O4 | 179.6° | 180.0° |
| N2 | C3 | C5 | H5 | 179.7° | 180.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.1° |
| N15 | C16 | C17 | H16 | 120.0° | 120.0° |
| N15 | C16 | C17 | H16A | 117.6° | 120.0° |
| N15 | C16 | H16 | H16A | 117.8° | 120.0° |
| N15 | C16 | C17 | C18 | 133.2° | 97.1° |
| N15 | C16 | C17 | C22 | 48.4° | 83.1° |
| C16 | N15 | C6 | C5 | 179.9° | 180.0° |
| C16 | N15 | C6 | N7 | 8.0° | 0.1° |
| C6 | N15 | C16 | C17 | 119.6° | 81.5° |
| C6 | N15 | C16 | H16 | 0.4° | 158.5° |
| C6 | N15 | C16 | H16A | 122.8° | 38.5° |
| N15 | C6 | C5 | N7 | 172.9° | 179.9° |
| N15 | C6 | C5 | C3 | 1.0° | 0.2° |
| N15 | C6 | C5 | H5 | 179.0° | 179.9° |
| N15 | C6 | N7 | C8 | 59.9° | 111.2° |
| N15 | C6 | N7 | C14 | 133.6° | 69.1° |
| C17 | C16 | H16 | H16A | 117.8° | 120.0° |
| C16 | C17 | C18 | C22 | 178.4° | 179.7° |
| C16 | C17 | C22 | C21 | 179.8° | 180.0° |
| C16 | C17 | C22 | C23 | 0.8° | 0.0° |
| C16 | C17 | C18 | C19 | 179.3° | 179.7° |
| C16 | C17 | C18 | H18 | 0.8° | 0.0° |
| H16 | C16 | C17 | C18 | 106.8° | 142.9° |
| H16 | C16 | C17 | C22 | 71.6° | 36.9° |
| H16A | C16 | C17 | C18 | 15.7° | 22.8° |
| H16A | C16 | C17 | C22 | 166.0° | 156.9° |
| C18 | C17 | C22 | C21 | 1.5° | 0.2° |
| C18 | C17 | C22 | C23 | 179.1° | 179.7° |
| C17 | C18 | C19 | C20 | 0.7° | 0.6° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | H19 | 179.3° | 179.7° |
| C17 | C22 | C21 | C23 | 179.4° | 180.0° |
| C17 | C22 | C23 | N24 | 132.4° | 23.8° |
| C17 | C22 | C21 | C20 | 0.7° | 0.0° |
| C17 | C22 | C21 | H21 | 179.3° | 179.9° |
| C22 | C17 | C18 | C19 | 0.8° | 0.5° |
| C22 | C17 | C18 | H18 | 179.2° | 179.7° |
| C21 | C22 | C23 | N24 | 48.2° | 156.2° |
| C22 | C21 | C20 | H21 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.9° | 0.0° |
| C22 | C21 | C20 | H20 | 179.1° | 180.0° |
| C23 | C22 | C21 | C20 | 179.9° | 180.0° |
| C23 | C22 | C21 | H21 | 0.1° | 0.1° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 1.6° | 0.3° |
| C21 | C20 | C19 | H19 | 178.5° | 180.0° |
| H21 | C21 | C20 | C19 | 179.2° | 179.9° |
| H21 | C21 | C20 | H20 | 0.9° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.7° |
| C20 | C19 | C18 | H18 | 179.2° | 179.7° |
| H20 | C20 | C19 | C18 | 178.4° | 179.8° |
| H20 | C20 | C19 | H19 | 1.5° | 0.0° |
| H19 | C19 | C18 | H18 | 0.7° | 0.1° |
| C6 | C5 | C3 | H5 | 180.0° | 179.7° |
| C6 | C5 | C3 | O4 | 179.3° | 179.7° |
| C5 | C6 | N7 | C8 | 112.6° | 68.7° |
| C5 | C6 | N7 | C14 | 53.9° | 111.0° |
| N7 | C6 | C5 | C3 | 171.9° | 179.7° |
| N7 | C6 | C5 | H5 | 8.1° | 0.0° |
| C6 | N7 | C8 | C14 | 167.1° | 179.7° |
| C6 | N7 | C14 | C11 | 148.7° | 126.4° |
| C6 | N7 | C14 | H14 | 28.7° | 113.8° |
| C6 | N7 | C14 | H14A | 93.7° | 6.6° |
| C6 | N7 | C8 | C9 | 147.7° | 126.4° |
| C6 | N7 | C8 | H8 | 92.3° | 6.6° |
| C6 | N7 | C8 | H8A | 29.2° | 113.9° |
| H5 | C5 | C3 | O4 | 0.7° | 0.0° |
| C8 | N7 | C14 | C11 | 44.2° | 53.4° |
| C8 | N7 | C14 | H14 | 164.2° | 66.4° |
| C8 | N7 | C14 | H14A | 73.4° | 173.2° |
| N7 | C8 | C9 | C10 | 50.5° | 54.4° |
| N7 | C8 | C9 | H8 | 120.0° | 119.9° |
| N7 | C8 | C9 | H8A | 118.4° | 119.8° |
| N7 | C8 | C9 | H9 | 69.5° | 174.5° |
| N7 | C8 | C9 | H9A | 169.2° | 65.5° |
| N7 | C8 | H8 | H8A | 118.5° | 120.4° |
| N7 | C14 | C11 | H14 | 120.0° | 119.8° |
| N7 | C14 | C11 | H14A | 117.6° | 119.8° |
| N7 | C14 | H14 | H14A | 117.8° | 120.3° |
| N7 | C14 | C11 | C10 | 47.0° | 54.6° |
| N7 | C14 | C11 | N13 | 76.5° | 174.6° |
| N7 | C14 | C11 | H11 | 165.6° | 65.4° |
| C14 | N7 | C8 | C9 | 45.2° | 53.3° |
| C14 | N7 | C8 | H8 | 74.8° | 173.1° |
| C14 | N7 | C8 | H8A | 163.7° | 66.4° |
| C11 | C14 | H14 | H14A | 117.8° | 120.4° |
| C14 | C11 | C10 | N13 | 124.4° | 120.0° |
| C14 | C11 | C10 | H11 | 117.6° | 120.0° |
| C14 | C11 | N13 | H11 | 117.5° | 120.0° |
| C14 | C11 | N13 | HN13 | 138.9° | 180.0° |
| C14 | C11 | N13 | HN1A | 101.1° | 56.1° |
| C14 | C11 | C10 | C9 | 52.6° | 61.3° |
| C14 | C11 | C10 | H10 | 172.5° | 58.6° |
| C14 | C11 | C10 | H10A | 66.5° | 178.6° |
| H14 | C14 | C11 | C10 | 167.0° | 65.1° |
| H14 | C14 | C11 | N13 | 43.5° | 54.8° |
| H14 | C14 | C11 | H11 | 74.4° | 174.8° |
| H14A | C14 | C11 | C10 | 70.6° | 174.4° |
| H14A | C14 | C11 | N13 | 165.9° | 65.6° |
| H14A | C14 | C11 | H11 | 48.0° | 54.4° |
| C10 | C11 | N13 | H11 | 118.7° | 120.1° |
| C10 | C11 | N13 | HN13 | 97.2° | 60.1° |
| C10 | C11 | N13 | HN1A | 22.7° | 63.9° |
| C11 | C10 | C9 | H10 | 120.0° | 120.0° |
| C11 | C10 | C9 | H10A | 119.1° | 120.0° |
| C11 | C10 | H10 | H10A | 119.1° | 120.0° |
| C11 | C10 | C9 | C8 | 55.2° | 61.2° |
| C11 | C10 | C9 | H9 | 64.7° | 178.7° |
| C11 | C10 | C9 | H9A | 174.0° | 58.6° |
| C11 | N13 | HN13 | HN1A | 120.0° | 123.9° |
| N13 | C11 | C10 | C9 | 71.9° | 178.7° |
| N13 | C11 | C10 | H10 | 48.1° | 61.4° |
| N13 | C11 | C10 | H10A | 169.0° | 58.6° |
| H11 | C11 | N13 | HN13 | 21.4° | 60.0° |
| H11 | C11 | N13 | HN1A | 141.4° | 176.0° |
| H11 | C11 | C10 | C9 | 170.1° | 58.6° |
| H11 | C11 | C10 | H10 | 69.9° | 178.6° |
| H11 | C11 | C10 | H10A | 51.0° | 61.4° |
| C9 | C10 | H10 | H10A | 119.1° | 120.0° |
| C10 | C9 | C8 | H9 | 120.0° | 120.1° |
| C10 | C9 | C8 | H9A | 118.7° | 119.9° |
| C10 | C9 | H9 | H9A | 118.8° | 120.1° |
| C10 | C9 | C8 | H8 | 69.6° | 174.3° |
| C10 | C9 | C8 | H8A | 168.9° | 65.4° |
| H10 | C10 | C9 | C8 | 175.2° | 58.8° |
| H10 | C10 | C9 | H9 | 55.2° | 61.3° |
| H10 | C10 | C9 | H9A | 66.0° | 178.6° |
| H10A | C10 | C9 | C8 | 63.9° | 178.8° |
| H10A | C10 | C9 | H9 | 176.2° | 58.7° |
| H10A | C10 | C9 | H9A | 54.9° | 61.4° |
| C8 | C9 | H9 | H9A | 118.8° | 119.9° |
| C9 | C8 | H8 | H8A | 118.6° | 120.1° |
| H9 | C9 | C8 | H8 | 170.5° | 65.6° |
| H9 | C9 | C8 | H8A | 48.9° | 54.7° |
| H9A | C9 | C8 | H8 | 49.2° | 54.4° |
| H9A | C9 | C8 | H8A | 72.4° | 174.7° |
