69G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | N24 | sing | 1.47Å | 1.46Å | |
| N24 | C26 | sing | 1.46Å | 1.46Å | |
| N24 | C22 | sing | 1.35Å | 1.35Å | |
| O23 | C22 | doub | 1.22Å | 1.21Å | |
| C22 | C20 | sing | 1.48Å | 1.48Å | |
| C10 | N11 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | C9 | doub | 1.35Å | 1.35Å | Aromatic |
| N11 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.41Å | 1.41Å | |
| C8 | C7 | sing | 1.47Å | 1.46Å | |
| O15 | C14 | doub | 1.22Å | 1.23Å | |
| C14 | N5 | sing | 1.34Å | 1.34Å | |
| C7 | C16 | sing | 1.48Å | 1.47Å | |
| C7 | C6 | doub | 1.36Å | 1.36Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| N5 | C6 | sing | 1.36Å | 1.37Å | |
| N5 | C4 | sing | 1.46Å | 1.47Å | |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | doub | 1.31Å | 1.32Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N24 | C26 | 118.4° | 120.0° |
| C25 | N24 | C22 | 118.6° | 120.0° |
| N24 | C25 | H16 | 109.5° | 109.4° |
| N24 | C25 | H17 | 109.5° | 109.5° |
| N24 | C25 | H18 | 109.4° | 109.5° |
| C26 | N24 | C22 | 123.0° | 120.0° |
| N24 | C26 | H19 | 109.5° | 109.4° |
| N24 | C26 | H20 | 109.5° | 109.5° |
| N24 | C26 | H21 | 109.5° | 109.5° |
| N24 | C22 | O23 | 118.9° | 120.0° |
| N24 | C22 | C20 | 123.0° | 120.0° |
| O23 | C22 | C20 | 118.1° | 120.0° |
| C22 | C20 | C21 | 120.9° | 120.1° |
| C22 | C20 | C19 | 118.9° | 120.1° |
| N11 | C10 | C9 | 110.0° | 109.4° |
| C10 | N11 | C13 | 108.2° | 108.9° |
| N11 | C10 | H5 | 125.0° | 125.3° |
| C10 | N11 | H12 | 125.9° | 125.6° |
| C10 | C9 | C8 | 107.6° | 107.8° |
| C10 | C9 | H4 | 126.2° | 126.1° |
| C9 | C10 | H5 | 125.0° | 125.3° |
| N11 | C13 | C8 | 107.6° | 107.0° |
| N11 | C13 | C14 | 132.7° | 134.1° |
| C13 | N11 | H12 | 125.9° | 125.6° |
| C9 | C8 | C13 | 106.6° | 106.9° |
| C9 | C8 | C7 | 134.6° | 134.5° |
| C8 | C9 | H4 | 126.2° | 126.1° |
| C20 | C21 | C16 | 119.6° | 119.7° |
| C21 | C20 | C19 | 120.2° | 119.8° |
| C20 | C21 | H15 | 120.2° | 120.1° |
| C21 | C16 | C7 | 118.3° | 120.1° |
| C21 | C16 | C17 | 119.8° | 119.9° |
| C16 | C21 | H15 | 120.2° | 120.2° |
| C20 | C19 | C18 | 119.6° | 120.1° |
| C20 | C19 | H14 | 120.2° | 119.9° |
| C8 | C13 | C14 | 119.7° | 118.8° |
| C13 | C8 | C7 | 118.8° | 118.6° |
| C13 | C14 | O15 | 120.0° | 119.7° |
| C13 | C14 | N5 | 119.2° | 120.6° |
| C8 | C7 | C16 | 122.4° | 120.7° |
| C8 | C7 | C6 | 118.1° | 118.6° |
| O15 | C14 | N5 | 120.8° | 119.7° |
| C14 | N5 | C6 | 123.1° | 122.3° |
| C14 | N5 | C4 | 118.3° | 118.9° |
| C16 | C7 | C6 | 119.3° | 120.7° |
| C7 | C16 | C17 | 121.8° | 120.0° |
| C7 | C6 | N5 | 121.1° | 121.1° |
| C7 | C6 | H3 | 119.5° | 119.5° |
| C16 | C17 | C18 | 120.3° | 120.1° |
| C16 | C17 | H11 | 119.9° | 119.9° |
| C19 | C18 | C17 | 120.6° | 120.3° |
| C19 | C18 | H13 | 119.7° | 119.9° |
| C18 | C19 | H14 | 120.2° | 120.0° |
| C6 | N5 | C4 | 118.5° | 118.9° |
| N5 | C6 | H3 | 119.4° | 119.5° |
| N5 | C4 | C3 | 113.5° | 109.5° |
| N5 | C4 | H1 | 108.5° | 109.5° |
| N5 | C4 | H2 | 108.4° | 109.4° |
| C18 | C17 | H11 | 119.8° | 119.9° |
| C17 | C18 | H13 | 119.7° | 119.8° |
| C4 | C3 | C2 | 116.9° | 120.0° |
| C3 | C4 | H1 | 108.4° | 109.5° |
| C3 | C4 | H2 | 108.5° | 109.4° |
| C4 | C3 | H6 | 121.5° | 120.0° |
| C3 | C2 | C1 | 120.9° | 120.0° |
| C2 | C3 | H6 | 121.6° | 120.0° |
| C3 | C2 | H10 | 119.6° | 120.0° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C1 | C2 | H10 | 119.5° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.4° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H16 | C25 | H18 | 109.5° | 109.4° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H21 | 109.5° | 109.5° |
| H20 | C26 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | N24 | C26 | C22 | 179.7° | 180.0° |
| C25 | N24 | C22 | O23 | 0.4° | 171.6° |
| C25 | N24 | C22 | C20 | 179.9° | 8.4° |
| N24 | C25 | H16 | H17 | 120.0° | 120.0° |
| N24 | C25 | H16 | H18 | 120.0° | 120.0° |
| N24 | C25 | H17 | H18 | 120.0° | 120.0° |
| C25 | N24 | C26 | H19 | 180.0° | 90.0° |
| C25 | N24 | C26 | H20 | 60.0° | 30.0° |
| C25 | N24 | C26 | H21 | 60.0° | 150.0° |
| C26 | N24 | C22 | O23 | 179.3° | 8.4° |
| C26 | N24 | C22 | C20 | 0.2° | 171.6° |
| C26 | N24 | C25 | H16 | 180.0° | 7.6° |
| C26 | N24 | C25 | H17 | 60.0° | 127.7° |
| C26 | N24 | C25 | H18 | 60.0° | 112.3° |
| N24 | C26 | H19 | H20 | 120.0° | 120.0° |
| N24 | C26 | H19 | H21 | 120.0° | 120.0° |
| N24 | C26 | H20 | H21 | 120.0° | 120.0° |
| N24 | C22 | O23 | C20 | 179.5° | 180.0° |
| N24 | C22 | C20 | C21 | 50.8° | 163.3° |
| N24 | C22 | C20 | C19 | 130.4° | 17.0° |
| C22 | N24 | C25 | H16 | 0.3° | 172.4° |
| C22 | N24 | C25 | H17 | 119.7° | 52.4° |
| C22 | N24 | C25 | H18 | 120.3° | 67.7° |
| C22 | N24 | C26 | H19 | 0.3° | 90.0° |
| C22 | N24 | C26 | H20 | 120.3° | 150.0° |
| C22 | N24 | C26 | H21 | 119.7° | 30.0° |
| O23 | C22 | C20 | C21 | 129.7° | 16.6° |
| O23 | C22 | C20 | C19 | 49.1° | 163.0° |
| C22 | C20 | C21 | C19 | 178.8° | 179.6° |
| C22 | C20 | C21 | C16 | 178.7° | 179.7° |
| C22 | C20 | C19 | C18 | 179.5° | 180.0° |
| C22 | C20 | C19 | H14 | 0.5° | 0.1° |
| C22 | C20 | C21 | H15 | 1.3° | 0.3° |
| N11 | C10 | C9 | H5 | 180.0° | 179.9° |
| C10 | N11 | C13 | H12 | 180.0° | 179.9° |
| N11 | C10 | C9 | C8 | 0.3° | 0.1° |
| C10 | N11 | C13 | C8 | 0.2° | 0.1° |
| C10 | N11 | C13 | C14 | 179.9° | 180.0° |
| N11 | C10 | C9 | H4 | 179.7° | 180.0° |
| C9 | C10 | N11 | C13 | 0.3° | 0.1° |
| C10 | C9 | C8 | H4 | 180.0° | 180.0° |
| C10 | C9 | C8 | C13 | 0.2° | 0.0° |
| C10 | C9 | C8 | C7 | 179.3° | 180.0° |
| C9 | C10 | N11 | H12 | 179.7° | 180.0° |
| N11 | C13 | C8 | C9 | 0.0° | 0.0° |
| N11 | C13 | C8 | C14 | 179.7° | 180.0° |
| N11 | C13 | C8 | C7 | 179.3° | 180.0° |
| N11 | C13 | C14 | O15 | 0.1° | 0.2° |
| N11 | C13 | C14 | N5 | 179.6° | 179.9° |
| C13 | N11 | C10 | H5 | 179.7° | 180.0° |
| C9 | C8 | C13 | C7 | 179.3° | 180.0° |
| C9 | C8 | C13 | C14 | 179.8° | 180.0° |
| C9 | C8 | C7 | C16 | 3.0° | 0.0° |
| C9 | C8 | C7 | C6 | 179.0° | 179.9° |
| C8 | C9 | C10 | H5 | 179.7° | 180.0° |
| C20 | C21 | C16 | H15 | 180.0° | 179.4° |
| C20 | C21 | C16 | C7 | 177.7° | 179.7° |
| C20 | C21 | C16 | C17 | 1.4° | 0.6° |
| C21 | C20 | C19 | C18 | 0.8° | 0.4° |
| C21 | C20 | C19 | H14 | 179.3° | 179.7° |
| C16 | C21 | C20 | C19 | 0.0° | 0.7° |
| C21 | C16 | C7 | C8 | 45.0° | 114.7° |
| C21 | C16 | C7 | C17 | 176.2° | 179.7° |
| C21 | C16 | C7 | C6 | 131.0° | 65.3° |
| C21 | C16 | C17 | C18 | 1.9° | 0.3° |
| C21 | C16 | C17 | H11 | 178.1° | 179.7° |
| C20 | C19 | C18 | H14 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H13 | 179.8° | 179.9° |
| C19 | C20 | C21 | H15 | 180.0° | 179.9° |
| C8 | C13 | C14 | O15 | 179.5° | 179.7° |
| C8 | C13 | C14 | N5 | 0.0° | 0.0° |
| C13 | C8 | C7 | C16 | 176.1° | 180.0° |
| C13 | C8 | C7 | C6 | 0.1° | 0.1° |
| C13 | C8 | C9 | H4 | 179.8° | 180.0° |
| C8 | C13 | N11 | H12 | 179.8° | 179.9° |
| C14 | C13 | C8 | C7 | 0.4° | 0.0° |
| C13 | C14 | O15 | N5 | 179.5° | 179.7° |
| C13 | C14 | N5 | C6 | 1.0° | 0.0° |
| C13 | C14 | N5 | C4 | 177.5° | 180.0° |
| C14 | C13 | N11 | H12 | 0.1° | 0.1° |
| C8 | C7 | C16 | C6 | 176.0° | 180.0° |
| C8 | C7 | C16 | C17 | 138.8° | 65.0° |
| C8 | C7 | C6 | N5 | 1.1° | 0.1° |
| C8 | C7 | C6 | H3 | 178.9° | 180.0° |
| C7 | C8 | C9 | H4 | 0.7° | 0.0° |
| O15 | C14 | N5 | C6 | 178.5° | 179.7° |
| O15 | C14 | N5 | C4 | 2.0° | 0.3° |
| C14 | N5 | C6 | C7 | 1.6° | 0.0° |
| C14 | N5 | C6 | C4 | 176.4° | 180.0° |
| C14 | N5 | C4 | C3 | 116.1° | 90.0° |
| C14 | N5 | C4 | H1 | 4.5° | 30.1° |
| C14 | N5 | C4 | H2 | 123.3° | 150.1° |
| C14 | N5 | C6 | H3 | 178.4° | 179.9° |
| C16 | C7 | C6 | N5 | 177.3° | 180.0° |
| C7 | C16 | C17 | C18 | 178.1° | 180.0° |
| C16 | C7 | C6 | H3 | 2.8° | 0.1° |
| C7 | C16 | C17 | H11 | 1.9° | 0.0° |
| C7 | C16 | C21 | H15 | 2.3° | 0.3° |
| C6 | C7 | C16 | C17 | 45.2° | 115.0° |
| C7 | C6 | N5 | H3 | 180.0° | 179.9° |
| C7 | C6 | N5 | C4 | 178.1° | 180.0° |
| C16 | C17 | C18 | C19 | 1.2° | 0.0° |
| C16 | C17 | C18 | H11 | 180.0° | 180.0° |
| C16 | C17 | C18 | H13 | 178.8° | 180.0° |
| C17 | C16 | C21 | H15 | 178.6° | 180.0° |
| C19 | C18 | C17 | H13 | 180.0° | 180.0° |
| C19 | C18 | C17 | H11 | 178.9° | 180.0° |
| C6 | N5 | C4 | C3 | 67.2° | 90.0° |
| C6 | N5 | C4 | H1 | 172.2° | 149.9° |
| C6 | N5 | C4 | H2 | 53.4° | 29.9° |
| N5 | C4 | C3 | H1 | 120.6° | 120.1° |
| N5 | C4 | C3 | H2 | 120.6° | 119.9° |
| N5 | C4 | C3 | C2 | 111.1° | 125.0° |
| N5 | C4 | H1 | H2 | 118.2° | 120.0° |
| C4 | N5 | C6 | H3 | 1.9° | 0.1° |
| N5 | C4 | C3 | H6 | 69.0° | 55.1° |
| C17 | C18 | C19 | H14 | 179.8° | 179.9° |
| C4 | C3 | C2 | H6 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 179.6° | 180.0° |
| C3 | C4 | H1 | H2 | 118.2° | 120.0° |
| C4 | C3 | C2 | H10 | 0.4° | 0.0° |
| C3 | C2 | C1 | H10 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 128.3° | 115.0° |
| C2 | C3 | C4 | H2 | 9.5° | 5.0° |
| C3 | C2 | C1 | H7 | 180.0° | 60.0° |
| C3 | C2 | C1 | H8 | 60.0° | 180.0° |
| C3 | C2 | C1 | H9 | 60.0° | 60.0° |
| C1 | C2 | C3 | H6 | 0.4° | 0.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| H1 | C4 | C3 | H6 | 51.7° | 65.0° |
| H2 | C4 | C3 | H6 | 170.4° | 175.0° |
| H4 | C9 | C10 | H5 | 0.3° | 0.1° |
| H5 | C10 | N11 | H12 | 0.3° | 0.1° |
| H6 | C3 | C2 | H10 | 179.6° | 180.0° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H7 | C1 | C2 | H10 | 0.0° | 120.0° |
| H8 | C1 | C2 | H10 | 120.0° | 0.0° |
| H9 | C1 | C2 | H10 | 120.0° | 120.0° |
| H11 | C17 | C18 | H13 | 1.2° | 0.1° |
| H13 | C18 | C19 | H14 | 0.2° | 0.0° |
| H16 | C25 | H17 | H18 | 120.0° | 120.0° |
| H19 | C26 | H20 | H21 | 120.0° | 120.0° |
