69M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N24 | C9 | sing | 1.39Å | 1.46Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| N10 | C9 | sing | 1.35Å | 1.33Å | Aromatic |
| N10 | N11 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.47Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C7 | doub | 1.31Å | 1.37Å | Aromatic |
| C8 | C12 | sing | 1.48Å | 1.49Å | |
| C8 | C7 | sing | 1.42Å | 1.49Å | Aromatic |
| C12 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C4 | sing | 1.48Å | 1.49Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C18 | sing | 1.48Å | 1.48Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.36Å | |
| C18 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N25 | sing | 1.40Å | 1.49Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| N10 | H9 | sing | 0.97Å | 1.00Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| N24 | H15 | sing | 0.97Å | 1.00Å | |
| N24 | H16 | sing | 0.97Å | 1.00Å | |
| N25 | H17 | sing | 0.97Å | 1.00Å | |
| N25 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N24 | C9 | N10 | 123.8° | 126.3° |
| N24 | C9 | C8 | 122.8° | 126.2° |
| C9 | N24 | H15 | 109.5° | 120.0° |
| C9 | N24 | H16 | 109.4° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.1° |
| C13 | C14 | C15 | 120.0° | 120.2° |
| C14 | C13 | H4 | 120.2° | 119.9° |
| C13 | C14 | H5 | 120.0° | 119.9° |
| C13 | C12 | C8 | 123.8° | 120.0° |
| C13 | C12 | C17 | 120.1° | 119.9° |
| C12 | C13 | H4 | 120.1° | 120.0° |
| C9 | N10 | N11 | 105.7° | 108.5° |
| N10 | C9 | C8 | 113.4° | 107.5° |
| C9 | N10 | H9 | 127.2° | 125.7° |
| N10 | N11 | C7 | 112.3° | 108.9° |
| N11 | N10 | H9 | 127.2° | 125.8° |
| C9 | C8 | C12 | 127.2° | 126.4° |
| C9 | C8 | C7 | 101.4° | 107.2° |
| C14 | C15 | C16 | 119.4° | 120.2° |
| C15 | C14 | H5 | 120.0° | 119.9° |
| C14 | C15 | H6 | 120.3° | 119.9° |
| N11 | C7 | C8 | 107.2° | 108.0° |
| N11 | C7 | C4 | 123.4° | 126.0° |
| C12 | C8 | C7 | 131.2° | 126.4° |
| C8 | C12 | C17 | 116.1° | 120.1° |
| C8 | C7 | C4 | 129.4° | 126.0° |
| C12 | C17 | C16 | 120.5° | 119.8° |
| C12 | C17 | H10 | 119.7° | 120.1° |
| C7 | C4 | C3 | 121.4° | 120.0° |
| C7 | C4 | C5 | 118.5° | 120.1° |
| C4 | C3 | C2 | 119.7° | 119.9° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C4 | C3 | H7 | 120.1° | 120.1° |
| C3 | C2 | C1 | 120.1° | 120.1° |
| C3 | C2 | H1 | 120.0° | 120.0° |
| C2 | C3 | H7 | 120.2° | 120.1° |
| C15 | C16 | C17 | 120.3° | 119.9° |
| C15 | C16 | C18 | 124.2° | 120.1° |
| C16 | C15 | H6 | 120.3° | 119.9° |
| C4 | C5 | C6 | 120.3° | 119.9° |
| C4 | C5 | H2 | 119.9° | 120.0° |
| C2 | C1 | C6 | 120.2° | 120.1° |
| C2 | C1 | O1 | 120.0° | 120.0° |
| C1 | C2 | H1 | 119.9° | 119.9° |
| C17 | C16 | C18 | 115.6° | 120.1° |
| C16 | C17 | H10 | 119.7° | 120.1° |
| C16 | C18 | C23 | 118.2° | 120.1° |
| C16 | C18 | C19 | 121.6° | 120.1° |
| C5 | C6 | C1 | 119.7° | 120.1° |
| C6 | C5 | H2 | 119.9° | 120.1° |
| C5 | C6 | H3 | 120.2° | 120.0° |
| C6 | C1 | O1 | 119.8° | 120.0° |
| C1 | C6 | H3 | 120.2° | 119.9° |
| C1 | O1 | H8 | 109.5° | 114.0° |
| C23 | C18 | C19 | 120.2° | 119.8° |
| C18 | C23 | C22 | 120.4° | 120.0° |
| C18 | C23 | H14 | 119.8° | 120.0° |
| C18 | C19 | C20 | 119.5° | 119.8° |
| C18 | C19 | H11 | 120.3° | 120.1° |
| C23 | C22 | C21 | 119.5° | 120.2° |
| C23 | C22 | H13 | 120.2° | 119.9° |
| C22 | C23 | H14 | 119.8° | 120.0° |
| C19 | C20 | C21 | 120.3° | 119.9° |
| C19 | C20 | N25 | 119.8° | 120.0° |
| C20 | C19 | H11 | 120.3° | 120.1° |
| C22 | C21 | C20 | 120.1° | 120.2° |
| C22 | C21 | H12 | 119.9° | 119.9° |
| C21 | C22 | H13 | 120.2° | 119.9° |
| C21 | C20 | N25 | 119.8° | 120.0° |
| C20 | C21 | H12 | 120.0° | 119.9° |
| C20 | N25 | H17 | 109.5° | 120.0° |
| C20 | N25 | H18 | 109.5° | 120.0° |
| H15 | N24 | H16 | 109.5° | 120.0° |
| H17 | N25 | H18 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N24 | C9 | N10 | C8 | 179.0° | 180.0° |
| N24 | C9 | N10 | N11 | 179.9° | 179.8° |
| N24 | C9 | C8 | C12 | 2.3° | 0.1° |
| N24 | C9 | C8 | C7 | 179.3° | 179.7° |
| N24 | C9 | N10 | H9 | 0.1° | 0.0° |
| C9 | N24 | H15 | H16 | 120.0° | 180.0° |
| C14 | C13 | C12 | H4 | 180.0° | 179.9° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C14 | C13 | C12 | C8 | 179.5° | 180.0° |
| C14 | C13 | C12 | C17 | 0.6° | 0.3° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C13 | C14 | C15 | H6 | 179.5° | 179.9° |
| C13 | C12 | C8 | C9 | 96.3° | 115.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C13 | C12 | C8 | C17 | 178.9° | 179.7° |
| C13 | C12 | C8 | C7 | 87.7° | 64.7° |
| C13 | C12 | C17 | C16 | 0.8° | 0.5° |
| C12 | C13 | C14 | H5 | 179.9° | 180.0° |
| C13 | C12 | C17 | H10 | 179.3° | 179.7° |
| C9 | N10 | N11 | H9 | 180.0° | 179.9° |
| C9 | N10 | N11 | C7 | 0.4° | 0.0° |
| N10 | C9 | C8 | C12 | 178.6° | 180.0° |
| N10 | C9 | C8 | C7 | 1.7° | 0.3° |
| N10 | C9 | N24 | H15 | 180.0° | 180.0° |
| N10 | C9 | N24 | H16 | 60.0° | 0.0° |
| N11 | N10 | C9 | C8 | 0.9° | 0.2° |
| N10 | N11 | C7 | C8 | 1.5° | 0.2° |
| N10 | N11 | C7 | C4 | 179.3° | 179.9° |
| C9 | C8 | C7 | N11 | 1.8° | 0.3° |
| C9 | C8 | C12 | C7 | 176.0° | 179.7° |
| C9 | C8 | C12 | C17 | 82.6° | 65.3° |
| C9 | C8 | C7 | C4 | 179.5° | 179.8° |
| C8 | C9 | N10 | H9 | 179.2° | 180.0° |
| C8 | C9 | N24 | H15 | 1.1° | 0.0° |
| C8 | C9 | N24 | H16 | 121.1° | 180.0° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.3° |
| C14 | C15 | C16 | C18 | 179.8° | 180.0° |
| C15 | C14 | C13 | H4 | 180.0° | 180.0° |
| N11 | C7 | C8 | C12 | 178.6° | 180.0° |
| N11 | C7 | C8 | C4 | 177.7° | 180.0° |
| N11 | C7 | C4 | C3 | 142.5° | 145.3° |
| N11 | C7 | C4 | C5 | 35.8° | 35.1° |
| C7 | N11 | N10 | H9 | 179.6° | 179.9° |
| C12 | C8 | C7 | C4 | 3.8° | 0.0° |
| C8 | C12 | C17 | C16 | 179.7° | 179.8° |
| C8 | C12 | C13 | H4 | 0.5° | 0.1° |
| C8 | C12 | C17 | H10 | 0.4° | 0.0° |
| C7 | C8 | C12 | C17 | 93.5° | 115.0° |
| C8 | C7 | C4 | C3 | 34.8° | 34.7° |
| C8 | C7 | C4 | C5 | 146.9° | 145.0° |
| C12 | C17 | C16 | C15 | 0.2° | 0.5° |
| C12 | C17 | C16 | H10 | 180.0° | 179.8° |
| C12 | C17 | C16 | C18 | 179.6° | 179.7° |
| C17 | C12 | C13 | H4 | 179.3° | 179.8° |
| C7 | C4 | C3 | C5 | 178.3° | 179.6° |
| C7 | C4 | C3 | C2 | 179.0° | 179.7° |
| C7 | C4 | C5 | C6 | 179.2° | 180.0° |
| C7 | C4 | C5 | H2 | 0.8° | 0.3° |
| C7 | C4 | C3 | H7 | 1.0° | 0.3° |
| C4 | C3 | C2 | H7 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.4° |
| C4 | C3 | C2 | H1 | 179.7° | 179.8° |
| C3 | C4 | C5 | H2 | 179.1° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.1° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C3 | C2 | C1 | C6 | 0.1° | 0.2° |
| C3 | C2 | C1 | O1 | 179.2° | 179.7° |
| C15 | C16 | C17 | C18 | 179.8° | 179.8° |
| C15 | C16 | C18 | C23 | 146.1° | 180.0° |
| C15 | C16 | C18 | C19 | 35.7° | 0.3° |
| C16 | C15 | C14 | H5 | 179.4° | 180.0° |
| C15 | C16 | C17 | H10 | 179.8° | 179.7° |
| C4 | C5 | C6 | H2 | 180.0° | 179.6° |
| C4 | C5 | C6 | C1 | 0.7° | 0.6° |
| C4 | C5 | C6 | H3 | 179.3° | 180.0° |
| C5 | C4 | C3 | H7 | 179.3° | 180.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.6° |
| C2 | C1 | C6 | O1 | 179.4° | 179.9° |
| C2 | C1 | C6 | H3 | 179.7° | 179.9° |
| C1 | C2 | C3 | H7 | 179.7° | 180.0° |
| C2 | C1 | O1 | H8 | 180.0° | 89.9° |
| C17 | C16 | C18 | C23 | 34.0° | 0.2° |
| C17 | C16 | C18 | C19 | 144.2° | 179.4° |
| C17 | C16 | C15 | H6 | 179.6° | 179.7° |
| C16 | C18 | C23 | C19 | 178.2° | 179.7° |
| C16 | C18 | C23 | C22 | 178.9° | 179.8° |
| C16 | C18 | C19 | C20 | 179.1° | 180.0° |
| C18 | C16 | C15 | H6 | 0.2° | 0.1° |
| C18 | C16 | C17 | H10 | 0.4° | 0.0° |
| C16 | C18 | C19 | H11 | 0.9° | 0.1° |
| C16 | C18 | C23 | H14 | 1.1° | 0.0° |
| C5 | C6 | C1 | H3 | 180.0° | 179.4° |
| C5 | C6 | C1 | O1 | 179.0° | 179.4° |
| C6 | C1 | C2 | H1 | 179.9° | 180.0° |
| C1 | C6 | C5 | H2 | 179.3° | 179.7° |
| C6 | C1 | O1 | H8 | 0.6° | 90.0° |
| O1 | C1 | C2 | H1 | 0.8° | 0.1° |
| O1 | C1 | C6 | H3 | 0.9° | 0.0° |
| C18 | C23 | C22 | H14 | 180.0° | 179.8° |
| C23 | C18 | C19 | C20 | 1.0° | 0.3° |
| C18 | C23 | C22 | C21 | 0.3° | 0.5° |
| C23 | C18 | C19 | H11 | 179.1° | 179.8° |
| C18 | C23 | C22 | H13 | 179.7° | 179.8° |
| C19 | C18 | C23 | C22 | 0.7° | 0.5° |
| C18 | C19 | C20 | H11 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.9° | 0.1° |
| C18 | C19 | C20 | N25 | 179.7° | 179.9° |
| C19 | C18 | C23 | H14 | 179.3° | 179.6° |
| C23 | C22 | C21 | H13 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 0.3° | 0.2° |
| C23 | C22 | C21 | H12 | 179.7° | 179.8° |
| C19 | C20 | C21 | C22 | 0.6° | 0.0° |
| C19 | C20 | C21 | N25 | 179.4° | 180.0° |
| C19 | C20 | C21 | H12 | 179.4° | 180.0° |
| C19 | C20 | N25 | H17 | 180.0° | 0.0° |
| C19 | C20 | N25 | H18 | 60.0° | 180.0° |
| C22 | C21 | C20 | H12 | 180.0° | 180.0° |
| C22 | C21 | C20 | N25 | 180.0° | 180.0° |
| C21 | C22 | C23 | H14 | 179.7° | 179.7° |
| C21 | C20 | C19 | H11 | 179.1° | 179.9° |
| C20 | C21 | C22 | H13 | 179.7° | 180.0° |
| C21 | C20 | N25 | H17 | 0.6° | 180.0° |
| C21 | C20 | N25 | H18 | 120.6° | 0.0° |
| N25 | C20 | C19 | H11 | 0.3° | 0.1° |
| N25 | C20 | C21 | H12 | 0.0° | 0.0° |
| C20 | N25 | H17 | H18 | 120.0° | 180.0° |
| H1 | C2 | C3 | H7 | 0.3° | 0.2° |
| H2 | C5 | C6 | H3 | 0.7° | 0.4° |
| H4 | C13 | C14 | H5 | 0.0° | 0.0° |
| H5 | C14 | C15 | H6 | 0.6° | 0.0° |
| H12 | C21 | C22 | H13 | 0.3° | 0.1° |
| H13 | C22 | C23 | H14 | 0.3° | 0.0° |
