2M2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | N8 | sing | 1.33Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| N8 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | N12 | sing | 1.39Å | 1.38Å | |
| C11 | N27 | doub | 1.33Å | 1.34Å | Aromatic |
| N12 | C13 | sing | 1.40Å | 1.38Å | |
| C7 | N27 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | N6 | sing | 1.38Å | 1.38Å | |
| N6 | C5 | sing | 1.46Å | 1.47Å | |
| C13 | N26 | doub | 1.31Å | 1.28Å | Aromatic |
| C13 | C14 | sing | 1.41Å | 1.39Å | Aromatic |
| N26 | N24 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | doub | 1.35Å | 1.37Å | Aromatic |
| N24 | C15 | sing | 1.35Å | 1.33Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.35Å | 1.37Å | Aromatic |
| C4 | O28 | sing | 1.34Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.43Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| O28 | N29 | sing | 1.21Å | 1.24Å | Aromatic |
| C2 | N29 | doub | 1.30Å | 1.30Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| N6 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| N12 | H10 | sing | 0.97Å | 1.00Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| N24 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | N8 | 119.3° | 119.3° |
| C9 | C10 | C11 | 117.8° | 118.5° |
| C10 | C9 | H8 | 120.4° | 120.3° |
| C9 | C10 | H9 | 121.1° | 120.8° |
| C9 | N8 | C7 | 121.1° | 120.9° |
| N8 | C9 | H8 | 120.3° | 120.4° |
| C10 | C11 | N12 | 117.8° | 120.5° |
| C10 | C11 | N27 | 120.4° | 119.0° |
| C11 | C10 | H9 | 121.1° | 120.7° |
| N8 | C7 | N27 | 121.5° | 121.7° |
| N8 | C7 | N6 | 118.2° | 119.2° |
| N12 | C11 | N27 | 121.6° | 120.5° |
| C11 | N12 | C13 | 124.3° | 120.0° |
| C11 | N12 | H10 | 117.9° | 120.0° |
| C11 | N27 | C7 | 119.9° | 120.6° |
| N12 | C13 | N26 | 120.1° | 126.0° |
| N12 | C13 | C14 | 130.1° | 126.0° |
| C13 | N12 | H10 | 117.9° | 120.0° |
| N27 | C7 | N6 | 120.4° | 119.2° |
| C7 | N6 | C5 | 121.4° | 120.0° |
| C7 | N6 | H7 | 106.4° | 120.0° |
| N6 | C5 | C4 | 106.1° | 109.5° |
| N6 | C5 | H5 | 110.3° | 109.4° |
| N6 | C5 | H6 | 110.3° | 109.5° |
| C5 | N6 | H7 | 106.4° | 120.0° |
| N26 | C13 | C14 | 109.8° | 108.0° |
| C13 | N26 | N24 | 107.3° | 108.2° |
| C13 | C14 | C15 | 107.3° | 107.8° |
| C13 | C14 | H11 | 126.4° | 126.1° |
| N26 | N24 | C15 | 108.8° | 108.0° |
| N26 | N24 | H21 | 125.6° | 126.0° |
| C5 | C4 | C3 | 128.6° | 126.8° |
| C5 | C4 | O28 | 125.7° | 126.8° |
| C4 | C5 | H5 | 110.3° | 109.5° |
| C4 | C5 | H6 | 110.3° | 109.5° |
| C14 | C15 | N24 | 106.9° | 107.9° |
| C14 | C15 | C16 | 130.0° | 126.0° |
| C15 | C14 | H11 | 126.3° | 126.1° |
| N24 | C15 | C16 | 123.0° | 126.0° |
| C15 | N24 | H21 | 125.6° | 125.9° |
| C15 | C16 | C17 | 110.7° | 109.5° |
| C15 | C16 | H12 | 109.2° | 109.5° |
| C15 | C16 | H13 | 109.2° | 109.5° |
| C3 | C4 | O28 | 105.6° | 106.4° |
| C4 | C3 | C2 | 105.3° | 104.0° |
| C4 | C3 | H4 | 127.3° | 128.0° |
| C4 | O28 | N29 | 111.1° | 111.6° |
| C3 | C2 | N29 | 104.9° | 106.4° |
| C3 | C2 | C1 | 129.3° | 126.8° |
| C2 | C3 | H4 | 127.4° | 128.0° |
| C16 | C17 | C18 | 111.7° | 109.5° |
| C17 | C16 | H12 | 109.2° | 109.4° |
| C17 | C16 | H13 | 109.2° | 109.4° |
| C16 | C17 | H14 | 108.9° | 109.5° |
| C16 | C17 | H15 | 108.9° | 109.5° |
| C17 | C18 | C19 | 118.8° | 120.0° |
| C17 | C18 | C23 | 120.6° | 120.0° |
| C18 | C17 | H14 | 108.9° | 109.5° |
| C18 | C17 | H15 | 108.9° | 109.5° |
| O28 | N29 | C2 | 113.1° | 111.6° |
| N29 | C2 | C1 | 125.8° | 126.8° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C18 | C19 | C20 | 119.8° | 120.0° |
| C19 | C18 | C23 | 120.5° | 120.0° |
| C18 | C19 | H16 | 120.1° | 119.9° |
| C19 | C20 | C21 | 119.1° | 120.0° |
| C20 | C19 | H16 | 120.1° | 120.0° |
| C19 | C20 | H17 | 120.4° | 120.0° |
| C18 | C23 | C22 | 120.0° | 120.0° |
| C18 | C23 | H20 | 120.0° | 120.0° |
| C20 | C21 | C22 | 120.5° | 120.0° |
| C21 | C20 | H17 | 120.4° | 120.0° |
| C20 | C21 | H18 | 119.8° | 120.0° |
| C23 | C22 | C21 | 120.0° | 120.0° |
| C23 | C22 | H19 | 120.0° | 120.0° |
| C22 | C23 | H20 | 120.0° | 120.0° |
| C22 | C21 | H18 | 119.7° | 120.0° |
| C21 | C22 | H19 | 120.0° | 120.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | N8 | H8 | 180.0° | 179.9° |
| C9 | C10 | C11 | H9 | 180.0° | 180.0° |
| C10 | C9 | N8 | C7 | 0.4° | 0.1° |
| C9 | C10 | C11 | N12 | 177.5° | 180.0° |
| C9 | C10 | C11 | N27 | 0.9° | 0.0° |
| N8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | N8 | C7 | N27 | 0.3° | 0.1° |
| C9 | N8 | C7 | N6 | 179.8° | 179.7° |
| N8 | C9 | C10 | H9 | 179.8° | 180.0° |
| C10 | C11 | N12 | N27 | 176.6° | 180.0° |
| C10 | C11 | N12 | C13 | 173.8° | 174.6° |
| C10 | C11 | N27 | C7 | 0.9° | 0.0° |
| C11 | C10 | C9 | H8 | 179.8° | 179.9° |
| C10 | C11 | N12 | H10 | 6.2° | 5.4° |
| N8 | C7 | N27 | C11 | 0.3° | 0.1° |
| N8 | C7 | N27 | N6 | 179.5° | 179.8° |
| N8 | C7 | N6 | C5 | 164.7° | 0.2° |
| N8 | C7 | N6 | H7 | 43.0° | 179.7° |
| C7 | N8 | C9 | H8 | 179.6° | 180.0° |
| C11 | N12 | C13 | H10 | 180.0° | 180.0° |
| N12 | C11 | N27 | C7 | 177.4° | 180.0° |
| C11 | N12 | C13 | N26 | 172.1° | 174.5° |
| C11 | N12 | C13 | C14 | 6.2° | 5.8° |
| N12 | C11 | C10 | H9 | 2.5° | 0.0° |
| N27 | C11 | N12 | C13 | 9.7° | 5.4° |
| C11 | N27 | C7 | N6 | 179.1° | 179.8° |
| N27 | C11 | C10 | H9 | 179.1° | 180.0° |
| N27 | C11 | N12 | H10 | 170.3° | 174.6° |
| N12 | C13 | N26 | C14 | 178.6° | 179.8° |
| N12 | C13 | N26 | N24 | 178.3° | 179.8° |
| N12 | C13 | C14 | C15 | 178.0° | 180.0° |
| N12 | C13 | C14 | H11 | 2.0° | 0.0° |
| N27 | C7 | N6 | C5 | 15.9° | 180.0° |
| N27 | C7 | N6 | H7 | 137.5° | 0.1° |
| C7 | N6 | C5 | H7 | 121.7° | 179.8° |
| C7 | N6 | C5 | C4 | 90.2° | 180.0° |
| C7 | N6 | C5 | H5 | 29.3° | 60.1° |
| C7 | N6 | C5 | H6 | 150.4° | 59.9° |
| N6 | C5 | C4 | H5 | 119.5° | 119.9° |
| N6 | C5 | C4 | H6 | 119.5° | 120.1° |
| N6 | C5 | C4 | C3 | 0.8° | 90.0° |
| N6 | C5 | C4 | O28 | 178.9° | 89.9° |
| N6 | C5 | H5 | H6 | 121.6° | 120.0° |
| N26 | C13 | C14 | C15 | 0.5° | 0.2° |
| C13 | N26 | N24 | C15 | 0.1° | 0.5° |
| N26 | C13 | N12 | H10 | 7.9° | 5.6° |
| N26 | C13 | C14 | H11 | 179.5° | 179.8° |
| C13 | N26 | N24 | H21 | 179.9° | 179.9° |
| C14 | C13 | N26 | N24 | 0.3° | 0.4° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | N24 | 0.4° | 0.0° |
| C13 | C14 | C15 | C16 | 176.9° | 179.9° |
| C14 | C13 | N12 | H10 | 173.8° | 174.2° |
| N26 | N24 | C15 | C14 | 0.2° | 0.3° |
| N26 | N24 | C15 | H21 | 180.0° | 179.7° |
| N26 | N24 | C15 | C16 | 177.3° | 179.7° |
| C5 | C4 | C3 | O28 | 178.4° | 180.0° |
| C5 | C4 | C3 | C2 | 178.9° | 180.0° |
| C5 | C4 | O28 | N29 | 179.2° | 179.9° |
| C5 | C4 | C3 | H4 | 1.1° | 0.1° |
| C4 | C5 | H5 | H6 | 121.5° | 120.0° |
| C4 | C5 | N6 | H7 | 148.2° | 0.1° |
| C14 | C15 | N24 | C16 | 177.5° | 180.0° |
| C14 | C15 | C16 | C17 | 64.2° | 85.0° |
| C14 | C15 | C16 | H12 | 55.9° | 155.0° |
| C14 | C15 | C16 | H13 | 175.6° | 35.0° |
| C14 | C15 | N24 | H21 | 179.8° | 180.0° |
| N24 | C15 | C16 | C17 | 118.9° | 95.0° |
| N24 | C15 | C14 | H11 | 179.6° | 180.0° |
| N24 | C15 | C16 | H12 | 120.9° | 25.0° |
| N24 | C15 | C16 | H13 | 1.3° | 145.0° |
| C15 | C16 | C17 | H12 | 120.2° | 120.0° |
| C15 | C16 | C17 | H13 | 120.2° | 120.0° |
| C15 | C16 | C17 | C18 | 166.2° | NaN° |
| C16 | C15 | C14 | H11 | 3.1° | 0.1° |
| C15 | C16 | H12 | H13 | 119.4° | 120.0° |
| C15 | C16 | C17 | H14 | 45.9° | 60.0° |
| C15 | C16 | C17 | H15 | 73.5° | 60.0° |
| C16 | C15 | N24 | H21 | 2.7° | 0.0° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C3 | C4 | O28 | N29 | 0.7° | 0.0° |
| C4 | C3 | C2 | N29 | 0.1° | 0.1° |
| C4 | C3 | C2 | C1 | 178.5° | 179.7° |
| C3 | C4 | C5 | H5 | 120.2° | 150.1° |
| C3 | C4 | C5 | H6 | 118.7° | 30.1° |
| O28 | C4 | C3 | C2 | 0.5° | 0.0° |
| C4 | O28 | N29 | C2 | 0.8° | 0.1° |
| O28 | C4 | C3 | H4 | 179.5° | 179.9° |
| O28 | C4 | C5 | H5 | 61.7° | 30.0° |
| O28 | C4 | C5 | H6 | 59.4° | 150.0° |
| C3 | C2 | N29 | O28 | 0.4° | 0.1° |
| C3 | C2 | N29 | C1 | 178.6° | 179.7° |
| C3 | C2 | C1 | H1 | 178.3° | 89.7° |
| C3 | C2 | C1 | H2 | 61.7° | 30.3° |
| C3 | C2 | C1 | H3 | 58.3° | 150.3° |
| C16 | C17 | C18 | H14 | 120.3° | 120.0° |
| C16 | C17 | C18 | H15 | 120.3° | 120.1° |
| C16 | C17 | C18 | C19 | 132.2° | 89.7° |
| C16 | C17 | C18 | C23 | 50.3° | 90.0° |
| C17 | C16 | H12 | H13 | 119.4° | 119.9° |
| C16 | C17 | H14 | H15 | 119.0° | 120.0° |
| C17 | C18 | C19 | C23 | 177.5° | 179.7° |
| C17 | C18 | C19 | C20 | 178.8° | 180.0° |
| C17 | C18 | C23 | C22 | 178.4° | 179.8° |
| C18 | C17 | C16 | H12 | 73.6° | 60.0° |
| C18 | C17 | C16 | H13 | 46.0° | 60.0° |
| C18 | C17 | H14 | H15 | 119.0° | 119.9° |
| C17 | C18 | C19 | H16 | 1.2° | 0.1° |
| C17 | C18 | C23 | H20 | 1.6° | 0.1° |
| O28 | N29 | C2 | C1 | 179.0° | 179.8° |
| N29 | C2 | C1 | H1 | 0.0° | 90.0° |
| N29 | C2 | C1 | H2 | 120.0° | 150.1° |
| N29 | C2 | C1 | H3 | 120.0° | 30.1° |
| N29 | C2 | C3 | H4 | 179.9° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 1.5° | 0.4° |
| C18 | C19 | C20 | H16 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.0° |
| C19 | C18 | C23 | C22 | 0.9° | 0.5° |
| C19 | C18 | C17 | H14 | 11.9° | 150.2° |
| C19 | C18 | C17 | H15 | 107.5° | 30.3° |
| C18 | C19 | C20 | H17 | 179.3° | 180.0° |
| C19 | C18 | C23 | H20 | 179.1° | 179.8° |
| C20 | C19 | C18 | C23 | 1.3° | 0.3° |
| C19 | C20 | C21 | H17 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H18 | 179.9° | 179.9° |
| C18 | C23 | C22 | H20 | 180.0° | 179.7° |
| C18 | C23 | C22 | C21 | 0.1° | 0.4° |
| C23 | C18 | C17 | H14 | 170.6° | 30.0° |
| C23 | C18 | C17 | H15 | 70.0° | 150.0° |
| C23 | C18 | C19 | H16 | 178.8° | 179.8° |
| C18 | C23 | C22 | H19 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.5° | 0.2° |
| C20 | C21 | C22 | H18 | 180.0° | 179.9° |
| C21 | C20 | C19 | H16 | 179.3° | 180.0° |
| C20 | C21 | C22 | H19 | 179.5° | 180.0° |
| C23 | C22 | C21 | H19 | 180.0° | 179.8° |
| C23 | C22 | C21 | H18 | 179.6° | 179.9° |
| C22 | C21 | C20 | H17 | 179.9° | 179.9° |
| C21 | C22 | C23 | H20 | 179.9° | 179.8° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H5 | C5 | N6 | H7 | 92.4° | 120.1° |
| H6 | C5 | N6 | H7 | 28.7° | 119.9° |
| H8 | C9 | C10 | H9 | 0.2° | 0.1° |
| H12 | C16 | C17 | H14 | 166.1° | 180.0° |
| H12 | C16 | C17 | H15 | 46.7° | 60.1° |
| H13 | C16 | C17 | H14 | 74.3° | 60.0° |
| H13 | C16 | C17 | H15 | 166.4° | 180.0° |
| H16 | C19 | C20 | H17 | 0.7° | 0.1° |
| H17 | C20 | C21 | H18 | 0.1° | 0.1° |
| H18 | C21 | C22 | H19 | 0.5° | 0.0° |
| H19 | C22 | C23 | H20 | 0.0° | 0.0° |
