9MA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.51Å | 1.51Å | |
| C26 | C22 | doub | 1.37Å | 1.37Å | Aromatic |
| C14 | C12 | doub | 1.43Å | 1.43Å | Aromatic |
| C21 | F24 | sing | 1.35Å | 1.35Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | F23 | sing | 1.35Å | 1.35Å | |
| C12 | C13 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | N3 | sing | 1.45Å | 1.45Å | |
| C20 | C1 | sing | 1.48Å | 1.48Å | |
| C13 | C18 | sing | 1.52Å | 1.52Å | |
| N3 | C2 | sing | 1.37Å | 1.37Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | N10 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | N6 | sing | 1.41Å | 1.41Å | Aromatic |
| N10 | C5 | doub | 1.33Å | 1.33Å | Aromatic |
| N6 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| N6 | C7 | sing | 1.42Å | 1.42Å | Aromatic |
| C11 | C7 | sing | 1.49Å | 1.49Å | |
| C5 | C4 | sing | 1.42Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| C4 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.42Å | Aromatic |
| N3 | H1 | sing | 1.00Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.10Å | 1.10Å | |
| C19 | H8 | sing | 1.10Å | 1.10Å | |
| C19 | H9 | sing | 1.10Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.10Å | 1.10Å | |
| C18 | H12 | sing | 1.10Å | 1.10Å | |
| C18 | H13 | sing | 1.10Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.10Å | 1.10Å | |
| C11 | H16 | sing | 1.10Å | 1.10Å | |
| C11 | H17 | sing | 1.10Å | 1.10Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C25 | C26 | 120.6° | 120.6° |
| C25 | C27 | C21 | 118.4° | 118.4° |
| C25 | C27 | H18 | 120.8° | 120.8° |
| C27 | C25 | H19 | 119.7° | 119.7° |
| C25 | C26 | C22 | 118.5° | 118.5° |
| C25 | C26 | H6 | 120.7° | 120.7° |
| C26 | C25 | H19 | 119.7° | 119.7° |
| C15 | C16 | C14 | 121.2° | 121.2° |
| C16 | C15 | C17 | 120.2° | 120.2° |
| C16 | C15 | H4 | 119.9° | 119.9° |
| C15 | C16 | H10 | 119.4° | 119.4° |
| C16 | C14 | C19 | 120.0° | 120.0° |
| C16 | C14 | C12 | 117.9° | 117.9° |
| C14 | C16 | H10 | 119.4° | 119.4° |
| C27 | C21 | F24 | 118.6° | 118.6° |
| C27 | C21 | C20 | 123.5° | 123.5° |
| C21 | C27 | H18 | 120.8° | 120.8° |
| C15 | C17 | C13 | 121.5° | 121.5° |
| C17 | C15 | H4 | 119.9° | 119.9° |
| C15 | C17 | H5 | 119.2° | 119.2° |
| C19 | C14 | C12 | 122.1° | 122.1° |
| C14 | C19 | H7 | 109.5° | 109.5° |
| C14 | C19 | H8 | 109.5° | 109.5° |
| C14 | C19 | H9 | 109.5° | 109.5° |
| C26 | C22 | C20 | 123.6° | 123.6° |
| C26 | C22 | F23 | 118.6° | 118.6° |
| C22 | C26 | H6 | 120.7° | 120.7° |
| C14 | C12 | C13 | 121.3° | 121.3° |
| C14 | C12 | N3 | 119.1° | 119.1° |
| F24 | C21 | C20 | 117.9° | 117.9° |
| C21 | C20 | C22 | 115.4° | 115.4° |
| C21 | C20 | C1 | 122.5° | 122.5° |
| C17 | C13 | C12 | 117.9° | 117.9° |
| C17 | C13 | C18 | 119.7° | 119.7° |
| C13 | C17 | H5 | 119.3° | 119.3° |
| C20 | C22 | F23 | 117.8° | 117.8° |
| C22 | C20 | C1 | 122.2° | 122.2° |
| C13 | C12 | N3 | 119.7° | 119.7° |
| C12 | C13 | C18 | 122.5° | 122.5° |
| C12 | N3 | C2 | 119.3° | 119.3° |
| C12 | N3 | H1 | 120.4° | 120.4° |
| C20 | C1 | C2 | 125.1° | 125.1° |
| C20 | C1 | N10 | 123.0° | 123.0° |
| C13 | C18 | H11 | 109.5° | 109.5° |
| C13 | C18 | H12 | 109.5° | 109.5° |
| C13 | C18 | H13 | 109.5° | 109.5° |
| N3 | C2 | C1 | 129.5° | 129.5° |
| N3 | C2 | N6 | 125.0° | 125.0° |
| C2 | N3 | H1 | 120.3° | 120.3° |
| C2 | C1 | N10 | 111.8° | 111.8° |
| C1 | C2 | N6 | 105.5° | 105.5° |
| C1 | N10 | C5 | 105.5° | 105.5° |
| C2 | N6 | C5 | 105.4° | 105.4° |
| C2 | N6 | C7 | 131.7° | 131.7° |
| N10 | C5 | N6 | 111.8° | 111.8° |
| N10 | C5 | C4 | 130.9° | 130.9° |
| C5 | N6 | C7 | 122.9° | 122.9° |
| N6 | C5 | C4 | 117.3° | 117.3° |
| N6 | C7 | C11 | 119.9° | 119.9° |
| N6 | C7 | C8 | 117.7° | 117.7° |
| C11 | C7 | C8 | 122.4° | 122.4° |
| C7 | C11 | H15 | 109.5° | 109.5° |
| C7 | C11 | H16 | 109.5° | 109.5° |
| C7 | C11 | H17 | 109.4° | 109.4° |
| C5 | C4 | C9 | 120.2° | 120.2° |
| C5 | C4 | H2 | 119.9° | 119.9° |
| C7 | C8 | C9 | 121.0° | 121.0° |
| C7 | C8 | H3 | 119.5° | 119.5° |
| C4 | C9 | C8 | 120.9° | 120.9° |
| C9 | C4 | H2 | 119.9° | 119.9° |
| C4 | C9 | H14 | 119.5° | 119.5° |
| C9 | C8 | H3 | 119.5° | 119.5° |
| C8 | C9 | H14 | 119.5° | 119.5° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H7 | C19 | H9 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.4° | 109.5° |
| H11 | C18 | H12 | 109.4° | 109.5° |
| H11 | C18 | H13 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.4° | 109.4° |
| H15 | C11 | H16 | 109.4° | 109.4° |
| H15 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C25 | C26 | H19 | 180.0° | 180.0° |
| C25 | C27 | C21 | H18 | 180.0° | 180.0° |
| C27 | C25 | C26 | C22 | 0.2° | 0.2° |
| C25 | C27 | C21 | F24 | 179.9° | 179.9° |
| C25 | C27 | C21 | C20 | 0.1° | 0.1° |
| C27 | C25 | C26 | H6 | 179.8° | 179.8° |
| C26 | C25 | C27 | C21 | 0.2° | 0.2° |
| C25 | C26 | C22 | H6 | 180.0° | 180.0° |
| C25 | C26 | C22 | C20 | 0.1° | 0.1° |
| C25 | C26 | C22 | F23 | 179.9° | 179.9° |
| C26 | C25 | C27 | H18 | 179.8° | 179.8° |
| C15 | C16 | C14 | H10 | 180.0° | 180.0° |
| C16 | C15 | C17 | H4 | 180.0° | 180.0° |
| C15 | C16 | C14 | C19 | 180.0° | 180.0° |
| C15 | C16 | C14 | C12 | 0.1° | 0.1° |
| C16 | C15 | C17 | C13 | 0.2° | 0.2° |
| C16 | C15 | C17 | H5 | 179.8° | 179.8° |
| C14 | C16 | C15 | C17 | 0.1° | 0.1° |
| C16 | C14 | C19 | C12 | 179.9° | 179.9° |
| C16 | C14 | C12 | C13 | 0.0° | 0.0° |
| C16 | C14 | C12 | N3 | 179.8° | 179.8° |
| C14 | C16 | C15 | H4 | 179.8° | 179.8° |
| C16 | C14 | C19 | H7 | 90.0° | 90.0° |
| C16 | C14 | C19 | H8 | 150.0° | 150.0° |
| C16 | C14 | C19 | H9 | 30.0° | 30.0° |
| C27 | C21 | F24 | C20 | 179.8° | 179.8° |
| C27 | C21 | C20 | C22 | 0.4° | 0.4° |
| C27 | C21 | C20 | C1 | 179.4° | 179.4° |
| C21 | C27 | C25 | H19 | 179.8° | 179.8° |
| C15 | C17 | C13 | H5 | 180.0° | 180.0° |
| C15 | C17 | C13 | C12 | 0.1° | 0.1° |
| C15 | C17 | C13 | C18 | 179.8° | 179.8° |
| C17 | C15 | C16 | H10 | 179.8° | 179.8° |
| C19 | C14 | C12 | C13 | 179.9° | 179.9° |
| C19 | C14 | C12 | N3 | 0.1° | 0.1° |
| C14 | C19 | H7 | H8 | 120.0° | 120.0° |
| C14 | C19 | H7 | H9 | 120.0° | 120.0° |
| C14 | C19 | H8 | H9 | 120.0° | 120.0° |
| C19 | C14 | C16 | H10 | 0.0° | 0.0° |
| C26 | C22 | C20 | C21 | 0.4° | 0.4° |
| C26 | C22 | C20 | F23 | 179.8° | 179.8° |
| C26 | C22 | C20 | C1 | 179.5° | 179.5° |
| C22 | C26 | C25 | H19 | 179.8° | 179.8° |
| C14 | C12 | C13 | C17 | 0.0° | 0.0° |
| C14 | C12 | C13 | N3 | 179.8° | 179.8° |
| C14 | C12 | C13 | C18 | 179.9° | 179.9° |
| C14 | C12 | N3 | C2 | 125.8° | 125.8° |
| C14 | C12 | N3 | H1 | 54.2° | 54.2° |
| C12 | C14 | C19 | H7 | 90.0° | 90.0° |
| C12 | C14 | C19 | H8 | 30.1° | 30.0° |
| C12 | C14 | C19 | H9 | 150.0° | 150.0° |
| C12 | C14 | C16 | H10 | 179.9° | 179.9° |
| F24 | C21 | C20 | C22 | 179.8° | 179.8° |
| F24 | C21 | C20 | C1 | 0.7° | 0.7° |
| F24 | C21 | C27 | H18 | 0.1° | 0.1° |
| C21 | C20 | C22 | C1 | 179.1° | 179.1° |
| C21 | C20 | C22 | F23 | 179.8° | 179.8° |
| C21 | C20 | C1 | C2 | 73.5° | 73.5° |
| C21 | C20 | C1 | N10 | 107.1° | 107.1° |
| C20 | C21 | C27 | H18 | 179.9° | 179.9° |
| C17 | C13 | C12 | C18 | 179.9° | 179.9° |
| C17 | C13 | C12 | N3 | 179.8° | 179.8° |
| C13 | C17 | C15 | H4 | 179.8° | 179.8° |
| C17 | C13 | C18 | H11 | 90.0° | 90.0° |
| C17 | C13 | C18 | H12 | 150.0° | 150.0° |
| C17 | C13 | C18 | H13 | 30.0° | 30.0° |
| C22 | C20 | C1 | C2 | 105.5° | 105.5° |
| C22 | C20 | C1 | N10 | 73.9° | 73.9° |
| C20 | C22 | C26 | H6 | 179.9° | 179.9° |
| F23 | C22 | C20 | C1 | 0.7° | 0.7° |
| F23 | C22 | C26 | H6 | 0.1° | 0.1° |
| C13 | C12 | N3 | C2 | 54.0° | 54.0° |
| C13 | C12 | N3 | H1 | 126.0° | 126.0° |
| C12 | C13 | C17 | H5 | 179.9° | 179.9° |
| C12 | C13 | C18 | H11 | 89.9° | 90.0° |
| C12 | C13 | C18 | H12 | 30.0° | 30.0° |
| C12 | C13 | C18 | H13 | 150.0° | 150.0° |
| N3 | C12 | C13 | C18 | 0.3° | 0.3° |
| C12 | N3 | C2 | H1 | 180.0° | 180.0° |
| C12 | N3 | C2 | C1 | 47.5° | 47.5° |
| C12 | N3 | C2 | N6 | 131.8° | 131.8° |
| C20 | C1 | C2 | N3 | 0.0° | 0.0° |
| C20 | C1 | C2 | N10 | 179.5° | 179.5° |
| C20 | C1 | C2 | N6 | 179.4° | 179.4° |
| C20 | C1 | N10 | C5 | 179.6° | 179.6° |
| C18 | C13 | C17 | H5 | 0.2° | 0.2° |
| C13 | C18 | H11 | H12 | 120.0° | 120.0° |
| C13 | C18 | H11 | H13 | 120.0° | 120.0° |
| C13 | C18 | H12 | H13 | 120.0° | 120.0° |
| N3 | C2 | C1 | N6 | 179.4° | 179.4° |
| N3 | C2 | C1 | N10 | 179.5° | 179.5° |
| N3 | C2 | N6 | C5 | 179.6° | 179.6° |
| N3 | C2 | N6 | C7 | 0.6° | 0.6° |
| C2 | C1 | N10 | C5 | 0.1° | 0.1° |
| C1 | C2 | N6 | C5 | 0.1° | 0.1° |
| C1 | C2 | N6 | C7 | 179.9° | 179.9° |
| C1 | C2 | N3 | H1 | 132.5° | 132.5° |
| N10 | C1 | C2 | N6 | 0.0° | 0.0° |
| C1 | N10 | C5 | N6 | 0.2° | 0.2° |
| C1 | N10 | C5 | C4 | 179.8° | 179.8° |
| C2 | N6 | C5 | N10 | 0.2° | 0.2° |
| C2 | N6 | C5 | C7 | 179.8° | 179.8° |
| C2 | N6 | C7 | C11 | 0.2° | 0.2° |
| C2 | N6 | C5 | C4 | 179.8° | 179.8° |
| C2 | N6 | C7 | C8 | 179.8° | 179.8° |
| N6 | C2 | N3 | H1 | 48.2° | 48.2° |
| N10 | C5 | N6 | C4 | 180.0° | 180.0° |
| N10 | C5 | N6 | C7 | 180.0° | 180.0° |
| N10 | C5 | C4 | C9 | 180.0° | 180.0° |
| N10 | C5 | C4 | H2 | 0.1° | 0.1° |
| C5 | N6 | C7 | C11 | 179.9° | 179.9° |
| C5 | N6 | C7 | C8 | 0.1° | 0.1° |
| N6 | C5 | C4 | C9 | 0.0° | 0.0° |
| N6 | C5 | C4 | H2 | 180.0° | 180.0° |
| N6 | C7 | C11 | C8 | 179.9° | 179.9° |
| C7 | N6 | C5 | C4 | 0.0° | 0.0° |
| N6 | C7 | C8 | C9 | 0.2° | 0.2° |
| N6 | C7 | C8 | H3 | 179.8° | 179.8° |
| N6 | C7 | C11 | H15 | 90.0° | 90.0° |
| N6 | C7 | C11 | H16 | 150.0° | 150.0° |
| N6 | C7 | C11 | H17 | 30.0° | 30.0° |
| C11 | C7 | C8 | C9 | 179.9° | 179.9° |
| C11 | C7 | C8 | H3 | 0.1° | 0.1° |
| C7 | C11 | H15 | H16 | 120.0° | 120.0° |
| C7 | C11 | H15 | H17 | 120.0° | 120.0° |
| C7 | C11 | H16 | H17 | 120.0° | 120.0° |
| C5 | C4 | C9 | H2 | 180.0° | 180.0° |
| C5 | C4 | C9 | C8 | 0.1° | 0.1° |
| C5 | C4 | C9 | H14 | 180.0° | 180.0° |
| C7 | C8 | C9 | C4 | 0.2° | 0.2° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | H14 | 179.9° | 179.9° |
| C8 | C7 | C11 | H15 | 90.0° | 90.0° |
| C8 | C7 | C11 | H16 | 29.9° | 29.9° |
| C8 | C7 | C11 | H17 | 150.0° | 150.0° |
| C4 | C9 | C8 | H14 | 180.0° | 180.0° |
| C4 | C9 | C8 | H3 | 179.8° | 179.8° |
| C8 | C9 | C4 | H2 | 180.0° | 180.0° |
| H2 | C4 | C9 | H14 | 0.0° | 0.0° |
| H3 | C8 | C9 | H14 | 0.1° | 0.1° |
| H4 | C15 | C17 | H5 | 0.2° | 0.2° |
| H4 | C15 | C16 | H10 | 0.2° | 0.2° |
| H6 | C26 | C25 | H19 | 0.2° | 0.2° |
| H7 | C19 | H8 | H9 | 120.0° | 120.0° |
| H11 | C18 | H12 | H13 | 120.0° | 120.0° |
| H15 | C11 | H16 | H17 | 120.0° | 120.0° |
| H18 | C27 | C25 | H19 | 0.2° | 0.2° |
