M22
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | doub | 1.39Å | 1.36Å | Aromatic |
| C | C5 | sing | 1.39Å | 1.45Å | Aromatic |
| C | O | sing | 1.36Å | 1.40Å | |
| C1 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C1 | CL2 | sing | 1.74Å | 1.70Å | |
| C2 | C3 | doub | 1.38Å | 1.33Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | O12 | sing | 1.36Å | 1.35Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.43Å | Aromatic |
| C7 | O | sing | 1.36Å | 1.38Å | |
| C8 | C9 | doub | 1.39Å | 1.45Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C9 | C23 | sing | 1.43Å | 1.46Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | CL | sing | 1.74Å | 1.68Å | |
| O12 | C13 | sing | 1.43Å | 1.37Å | |
| C13 | C14 | sing | 1.51Å | 1.47Å | |
| C14 | N | doub | 1.30Å | 1.36Å | Aromatic |
| C14 | C16 | sing | 1.46Å | 1.41Å | Aromatic |
| N | N15 | sing | 1.40Å | 1.35Å | Aromatic |
| N15 | C17 | sing | 1.37Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.41Å | 1.34Å | Aromatic |
| C16 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.34Å | Aromatic |
| C18 | C19 | doub | 1.37Å | 1.43Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.36Å | 1.38Å | Aromatic |
| C23 | N24 | trip | 1.14Å | 1.16Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | C5 | 118.5° | 119.9° |
| C1 | C | O | 113.2° | 120.0° |
| C | C1 | C2 | 122.9° | 120.0° |
| C | C1 | CL2 | 121.2° | 120.0° |
| C5 | C | O | 128.3° | 120.0° |
| C | C5 | C4 | 115.8° | 119.9° |
| C | C5 | H5 | 122.1° | 120.0° |
| C | O | C7 | 120.5° | 118.0° |
| C2 | C1 | CL2 | 115.9° | 119.9° |
| C1 | C2 | C3 | 118.9° | 120.1° |
| C1 | C2 | H2 | 120.5° | 119.9° |
| C2 | C3 | C4 | 122.8° | 120.1° |
| C3 | C2 | H2 | 120.5° | 120.0° |
| C2 | C3 | H3 | 118.6° | 120.0° |
| C3 | C4 | C5 | 121.0° | 119.9° |
| C3 | C4 | O12 | 115.4° | 120.0° |
| C4 | C3 | H3 | 118.6° | 119.9° |
| C5 | C4 | O12 | 123.3° | 120.0° |
| C4 | C5 | H5 | 122.1° | 120.1° |
| C4 | O12 | C13 | 131.8° | 117.0° |
| C7 | C6 | C11 | 119.3° | 120.3° |
| C6 | C7 | C8 | 118.8° | 120.0° |
| C6 | C7 | O | 120.3° | 120.0° |
| C7 | C6 | H6 | 120.4° | 119.9° |
| C6 | C11 | C10 | 124.7° | 120.2° |
| C6 | C11 | CL | 115.9° | 119.9° |
| C11 | C6 | H6 | 120.4° | 119.9° |
| C8 | C7 | O | 121.0° | 120.0° |
| C7 | C8 | C9 | 120.8° | 119.8° |
| C7 | C8 | H8 | 119.6° | 120.0° |
| C8 | C9 | C10 | 119.5° | 119.8° |
| C8 | C9 | C23 | 121.9° | 120.1° |
| C9 | C8 | H8 | 119.6° | 120.1° |
| C10 | C9 | C23 | 118.6° | 120.1° |
| C9 | C10 | C11 | 116.9° | 119.9° |
| C9 | C10 | H10 | 121.6° | 120.1° |
| C9 | C23 | N24 | 179.9° | 180.0° |
| C10 | C11 | CL | 119.3° | 119.9° |
| C11 | C10 | H10 | 121.6° | 120.0° |
| O12 | C13 | C14 | 106.8° | 109.5° |
| O12 | C13 | H13 | 110.4° | 109.4° |
| O12 | C13 | H13A | 111.0° | 109.4° |
| C13 | C14 | N | 124.2° | 126.1° |
| C13 | C14 | C16 | 120.6° | 126.1° |
| C14 | C13 | H13 | 110.4° | 109.5° |
| C14 | C13 | H13A | 110.9° | 109.5° |
| N | C14 | C16 | 115.2° | 107.8° |
| C14 | N | N15 | 99.2° | 110.1° |
| C14 | C16 | C17 | 103.6° | 106.3° |
| C14 | C16 | C21 | 132.7° | 134.0° |
| N | N15 | C17 | 115.3° | 109.1° |
| N | N15 | HN15 | 122.4° | 125.4° |
| N15 | C17 | C16 | 106.7° | 106.7° |
| N15 | C17 | C18 | 133.6° | 133.9° |
| C17 | N15 | HN15 | 122.3° | 125.5° |
| C17 | C16 | C21 | 123.7° | 119.7° |
| C16 | C17 | C18 | 119.8° | 119.4° |
| C16 | C21 | C20 | 120.0° | 119.6° |
| C16 | C21 | H21 | 120.0° | 120.2° |
| C17 | C18 | C19 | 116.6° | 119.9° |
| C17 | C18 | H18 | 121.7° | 120.0° |
| C18 | C19 | C20 | 126.2° | 120.8° |
| C19 | C18 | H18 | 121.7° | 120.1° |
| C18 | C19 | H19 | 116.9° | 119.6° |
| C19 | C20 | C21 | 113.6° | 120.6° |
| C20 | C19 | H19 | 116.9° | 119.6° |
| C19 | C20 | H20 | 123.2° | 119.7° |
| C21 | C20 | H20 | 123.2° | 119.7° |
| C20 | C21 | H21 | 120.0° | 120.2° |
| H13 | C13 | H13A | 107.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | C5 | O | 177.2° | 179.7° |
| C | C1 | C2 | CL2 | 179.9° | 180.0° |
| C | C1 | C2 | C3 | 3.7° | 0.1° |
| C1 | C | C5 | C4 | 2.4° | 0.1° |
| C1 | C | O | C7 | 144.6° | 179.2° |
| C | C1 | C2 | H2 | 176.3° | 180.0° |
| C1 | C | C5 | H5 | 177.5° | 180.0° |
| C5 | C | C1 | C2 | 4.6° | 0.0° |
| C5 | C | C1 | CL2 | 175.2° | 180.0° |
| C | C5 | C4 | C3 | 0.5° | 0.1° |
| C | C5 | C4 | H5 | 180.0° | 179.9° |
| C | C5 | C4 | O12 | 173.5° | 180.0° |
| C5 | C | O | C7 | 38.1° | 0.5° |
| O | C | C1 | C2 | 177.8° | 179.7° |
| O | C | C1 | CL2 | 2.4° | 0.3° |
| O | C | C5 | C4 | 179.6° | 179.8° |
| C | O | C7 | C6 | 55.8° | 90.1° |
| C | O | C7 | C8 | 124.5° | 89.9° |
| O | C | C5 | H5 | 0.4° | 0.3° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C1 | C2 | C3 | H3 | 179.5° | 179.9° |
| CL2 | C1 | C2 | C3 | 176.2° | 180.0° |
| CL2 | C1 | C2 | H2 | 3.8° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.5° | 0.1° |
| C2 | C3 | C4 | O12 | 175.0° | 180.0° |
| C3 | C4 | C5 | O12 | 173.0° | 179.9° |
| C3 | C4 | O12 | C13 | 122.7° | 0.0° |
| C4 | C3 | C2 | H2 | 179.5° | 179.9° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C5 | C4 | O12 | C13 | 64.0° | 179.9° |
| C5 | C4 | C3 | H3 | 178.5° | 180.0° |
| C4 | O12 | C13 | C14 | 42.1° | 180.0° |
| O12 | C4 | C3 | H3 | 4.9° | 0.0° |
| O12 | C4 | C5 | H5 | 6.5° | 0.1° |
| C4 | O12 | C13 | H13 | 77.9° | 60.0° |
| C4 | O12 | C13 | H13A | 163.1° | 60.0° |
| C7 | C6 | C11 | H6 | 180.0° | 179.7° |
| C6 | C7 | C8 | O | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 2.4° | 0.0° |
| C7 | C6 | C11 | C10 | 1.7° | 0.0° |
| C7 | C6 | C11 | CL | 178.9° | 180.0° |
| C6 | C7 | C8 | H8 | 177.6° | 180.0° |
| C11 | C6 | C7 | C8 | 2.6° | 0.0° |
| C11 | C6 | C7 | O | 177.1° | 180.0° |
| C6 | C11 | C10 | C9 | 0.3° | 0.0° |
| C6 | C11 | C10 | CL | 179.4° | 179.9° |
| C6 | C11 | C10 | H10 | 179.7° | 179.9° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.0° | 0.0° |
| C7 | C8 | C9 | C23 | 177.3° | 180.0° |
| C8 | C7 | C6 | H6 | 177.4° | 179.7° |
| O | C7 | C8 | C9 | 177.4° | 180.0° |
| O | C7 | C6 | H6 | 2.9° | 0.3° |
| O | C7 | C8 | H8 | 2.6° | 0.0° |
| C8 | C9 | C10 | C23 | 178.4° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.1° |
| C8 | C9 | C23 | N24 | 176.5° | 28.1° |
| C8 | C9 | C10 | H10 | 179.9° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | CL | 179.7° | 180.0° |
| C10 | C9 | C23 | N24 | 5.2° | 152.0° |
| C10 | C9 | C8 | H8 | 179.0° | 179.9° |
| C23 | C9 | C10 | C11 | 178.4° | 180.0° |
| C23 | C9 | C8 | H8 | 2.7° | 0.0° |
| C23 | C9 | C10 | H10 | 1.6° | 0.1° |
| C10 | C11 | C6 | H6 | 178.3° | 179.7° |
| CL | C11 | C6 | H6 | 1.1° | 0.3° |
| CL | C11 | C10 | H10 | 0.3° | 0.1° |
| O12 | C13 | C14 | H13 | 120.0° | 120.0° |
| O12 | C13 | C14 | H13A | 121.0° | 120.0° |
| O12 | C13 | C14 | N | 56.7° | 90.0° |
| O12 | C13 | C14 | C16 | 122.7° | 90.3° |
| O12 | C13 | H13 | H13A | 121.1° | 120.0° |
| C13 | C14 | N | C16 | 179.4° | 179.8° |
| C13 | C14 | N | N15 | 179.6° | 180.0° |
| C13 | C14 | C16 | C17 | 180.0° | 179.9° |
| C13 | C14 | C16 | C21 | 0.8° | 0.0° |
| C14 | C13 | H13 | H13A | 121.1° | 120.0° |
| C14 | N | N15 | C17 | 1.2° | 0.0° |
| N | C14 | C16 | C17 | 0.6° | 0.3° |
| N | C14 | C16 | C21 | 178.6° | 179.7° |
| N | C14 | C13 | H13 | 176.7° | 30.0° |
| N | C14 | C13 | H13A | 64.4° | 150.0° |
| C14 | N | N15 | HN15 | 178.8° | 180.0° |
| C16 | C14 | N | N15 | 1.1° | 0.2° |
| C14 | C16 | C17 | N15 | 0.2° | 0.4° |
| C14 | C16 | C17 | C21 | 179.3° | 179.9° |
| C14 | C16 | C17 | C18 | 178.7° | 179.8° |
| C14 | C16 | C21 | C20 | 178.0° | 179.1° |
| C16 | C14 | C13 | H13 | 2.7° | 149.7° |
| C16 | C14 | C13 | H13A | 116.3° | 29.7° |
| C14 | C16 | C21 | H21 | 2.0° | 0.0° |
| N | N15 | C17 | HN15 | 180.0° | 179.9° |
| N | N15 | C17 | C16 | 0.9° | 0.3° |
| N | N15 | C17 | C18 | 177.8° | 179.9° |
| N15 | C17 | C16 | C18 | 178.9° | 179.8° |
| N15 | C17 | C16 | C21 | 179.4° | 179.7° |
| N15 | C17 | C18 | C19 | 177.2° | 180.0° |
| N15 | C17 | C18 | H18 | 2.8° | 0.0° |
| C16 | C17 | C18 | C19 | 1.3° | 0.2° |
| C17 | C16 | C21 | C20 | 1.0° | 0.8° |
| C16 | C17 | N15 | HN15 | 179.1° | 179.8° |
| C16 | C17 | C18 | H18 | 178.7° | 179.8° |
| C17 | C16 | C21 | H21 | 179.0° | 179.9° |
| C21 | C16 | C17 | C18 | 0.5° | 0.1° |
| C16 | C21 | C20 | C19 | 0.5° | 1.0° |
| C16 | C21 | C20 | H21 | 180.0° | 179.1° |
| C16 | C21 | C20 | H20 | 179.5° | 179.5° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 3.1° | 0.0° |
| C18 | C17 | N15 | HN15 | 2.2° | 0.0° |
| C17 | C18 | C19 | H19 | 177.0° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 2.5° | 0.7° |
| C18 | C19 | C20 | H20 | 177.5° | 179.9° |
| C19 | C20 | C21 | H20 | 180.0° | 179.4° |
| C20 | C19 | C18 | H18 | 177.0° | 180.0° |
| C19 | C20 | C21 | H21 | 179.5° | 179.9° |
| C21 | C20 | C19 | H19 | 177.5° | 179.3° |
| H2 | C2 | C3 | H3 | 0.5° | 0.1° |
| H18 | C18 | C19 | H19 | 3.0° | 0.0° |
| H19 | C19 | C20 | H20 | 2.5° | 0.1° |
| H20 | C20 | C21 | H21 | 0.5° | 0.5° |
