M82
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| I | C | sing | 2.09Å | 2.10Å | |
| C5 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| O | C6 | doub | 1.22Å | 1.23Å | |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C6 | sing | 1.48Å | 1.50Å | |
| C6 | N | sing | 1.35Å | 1.36Å | |
| N | C7 | sing | 1.40Å | 1.43Å | |
| C12 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C13 | sing | 1.36Å | 1.32Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| C13 | N2 | doub | 1.30Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | N2 | sing | 1.36Å | 1.39Å | Aromatic |
| C14 | N3 | sing | 1.47Å | 1.46Å | |
| C15 | N3 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| N3 | C19 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| I | C | C5 | 119.8° | 119.9° |
| I | C | C1 | 119.5° | 119.9° |
| C | C5 | C4 | 119.5° | 120.2° |
| C5 | C | C1 | 120.7° | 120.3° |
| C | C5 | H5 | 120.2° | 119.9° |
| C5 | C4 | C3 | 120.8° | 119.9° |
| C5 | C4 | H4 | 119.6° | 120.1° |
| C4 | C5 | H5 | 120.3° | 119.9° |
| C | C1 | C2 | 119.5° | 120.1° |
| C | C1 | H6 | 120.2° | 119.9° |
| C4 | C3 | C2 | 118.6° | 119.7° |
| C4 | C3 | C6 | 120.8° | 120.1° |
| C3 | C4 | H4 | 119.6° | 120.1° |
| C1 | C2 | C3 | 120.9° | 119.9° |
| C1 | C2 | H2 | 119.6° | 120.0° |
| C2 | C1 | H6 | 120.2° | 120.0° |
| O | C6 | C3 | 120.7° | 120.0° |
| O | C6 | N | 123.7° | 120.0° |
| C2 | C3 | C6 | 120.5° | 120.2° |
| C3 | C2 | H2 | 119.6° | 120.0° |
| C3 | C6 | N | 115.6° | 120.0° |
| C6 | N | C7 | 128.8° | 120.0° |
| C6 | N | H7 | 115.6° | 120.0° |
| N | C7 | C12 | 123.8° | 119.9° |
| N | C7 | C8 | 116.1° | 119.8° |
| C7 | N | H7 | 115.6° | 120.0° |
| C7 | C12 | C11 | 119.0° | 119.6° |
| C12 | C7 | C8 | 120.1° | 120.3° |
| C7 | C12 | H8 | 120.5° | 120.2° |
| C12 | C11 | N1 | 131.0° | 134.1° |
| C12 | C11 | C10 | 119.7° | 119.9° |
| C11 | C12 | H8 | 120.5° | 120.2° |
| C7 | C8 | C9 | 120.7° | 120.6° |
| C7 | C8 | H11 | 119.7° | 119.7° |
| C11 | N1 | C13 | 105.0° | 107.3° |
| N1 | C11 | C10 | 109.2° | 106.0° |
| C11 | N1 | H1 | 127.5° | 126.3° |
| N1 | C13 | C14 | 124.9° | 124.9° |
| N1 | C13 | N2 | 112.9° | 110.1° |
| C13 | N1 | H1 | 127.5° | 126.4° |
| C11 | C10 | C9 | 121.9° | 119.6° |
| C11 | C10 | N2 | 105.7° | 106.9° |
| C8 | C9 | C10 | 118.6° | 120.0° |
| C8 | C9 | H10 | 120.7° | 120.0° |
| C9 | C8 | H11 | 119.6° | 119.7° |
| C14 | C13 | N2 | 122.2° | 125.0° |
| C13 | C14 | N3 | 112.0° | 109.5° |
| C13 | C14 | H12 | 108.8° | 109.5° |
| C13 | C14 | H13 | 108.8° | 109.5° |
| C13 | N2 | C10 | 107.1° | 109.7° |
| C9 | C10 | N2 | 132.4° | 133.5° |
| C10 | C9 | H10 | 120.7° | 120.0° |
| C14 | N3 | C15 | 110.6° | 111.0° |
| C14 | N3 | C19 | 110.9° | 111.0° |
| N3 | C14 | H12 | 108.8° | 109.4° |
| N3 | C14 | H13 | 108.8° | 109.5° |
| N3 | C15 | C16 | 111.6° | 109.5° |
| C15 | N3 | C19 | 108.9° | 111.2° |
| N3 | C15 | H22 | 108.9° | 109.5° |
| N3 | C15 | H23 | 108.9° | 109.5° |
| C15 | C16 | C17 | 111.0° | 109.3° |
| C15 | C16 | H20 | 109.1° | 109.5° |
| C15 | C16 | H21 | 109.1° | 109.6° |
| C16 | C15 | H22 | 108.9° | 109.4° |
| C16 | C15 | H23 | 108.9° | 109.5° |
| N3 | C19 | C18 | 111.9° | 109.6° |
| N3 | C19 | H14 | 108.9° | 109.5° |
| N3 | C19 | H15 | 108.9° | 109.5° |
| C16 | C17 | C18 | 110.7° | 109.1° |
| C16 | C17 | H18 | 109.2° | 109.5° |
| C16 | C17 | H19 | 109.1° | 109.6° |
| C17 | C16 | H20 | 109.1° | 109.5° |
| C17 | C16 | H21 | 109.1° | 109.5° |
| C19 | C18 | C17 | 111.2° | 109.3° |
| C18 | C19 | H14 | 108.9° | 109.5° |
| C18 | C19 | H15 | 108.8° | 109.5° |
| C19 | C18 | H16 | 109.0° | 109.5° |
| C19 | C18 | H17 | 109.1° | 109.5° |
| C17 | C18 | H16 | 109.1° | 109.5° |
| C17 | C18 | H17 | 109.1° | 109.5° |
| C18 | C17 | H18 | 109.1° | 109.5° |
| C18 | C17 | H19 | 109.2° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.4° |
| H14 | C19 | H15 | 109.5° | 109.4° |
| H16 | C18 | H17 | 109.4° | 109.5° |
| H18 | C17 | H19 | 109.4° | 109.6° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| I | C | C5 | C1 | 178.8° | 179.7° |
| I | C | C5 | C4 | 177.8° | 180.0° |
| I | C | C1 | C2 | 177.4° | 179.8° |
| I | C | C5 | H5 | 2.3° | 0.3° |
| I | C | C1 | H6 | 2.6° | 0.3° |
| C | C5 | C4 | H5 | 180.0° | 179.7° |
| C | C5 | C4 | C3 | 0.3° | 0.2° |
| C5 | C | C1 | C2 | 1.4° | 0.0° |
| C | C5 | C4 | H4 | 179.7° | 179.7° |
| C5 | C | C1 | H6 | 178.6° | 180.0° |
| C4 | C5 | C | C1 | 1.0° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 1.3° | 0.0° |
| C5 | C4 | C3 | C6 | 176.1° | 180.0° |
| C | C1 | C2 | H6 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 0.4° | 0.2° |
| C | C1 | C2 | H2 | 179.6° | 180.0° |
| C1 | C | C5 | H5 | 179.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.9° | 0.2° |
| C4 | C3 | C6 | O | 40.5° | 0.0° |
| C4 | C3 | C2 | C6 | 177.4° | 180.0° |
| C4 | C3 | C6 | N | 142.4° | 180.0° |
| C4 | C3 | C2 | H2 | 179.1° | 180.0° |
| C3 | C4 | C5 | H5 | 179.7° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | C6 | 176.5° | 179.8° |
| O | C6 | C3 | C2 | 136.9° | 180.0° |
| O | C6 | C3 | N | 177.2° | 180.0° |
| O | C6 | N | C7 | 9.6° | 4.6° |
| O | C6 | N | H7 | 170.5° | 175.4° |
| C2 | C3 | C6 | N | 40.3° | 0.0° |
| C2 | C3 | C4 | H4 | 178.8° | 180.0° |
| C3 | C2 | C1 | H6 | 179.6° | 179.7° |
| C3 | C6 | N | C7 | 173.3° | 175.4° |
| C6 | C3 | C2 | H2 | 3.5° | 0.0° |
| C6 | C3 | C4 | H4 | 3.8° | 0.1° |
| C3 | C6 | N | H7 | 6.6° | 4.5° |
| C6 | N | C7 | H7 | 180.0° | 179.9° |
| C6 | N | C7 | C12 | 4.6° | 144.8° |
| C6 | N | C7 | C8 | 176.2° | 35.2° |
| N | C7 | C12 | C8 | 179.2° | 179.9° |
| N | C7 | C12 | C11 | 177.4° | 180.0° |
| N | C7 | C8 | C9 | 178.1° | 180.0° |
| N | C7 | C12 | H8 | 2.6° | 0.1° |
| N | C7 | C8 | H11 | 1.9° | 0.0° |
| C7 | C12 | C11 | H8 | 180.0° | 179.9° |
| C7 | C12 | C11 | N1 | 177.9° | 180.0° |
| C7 | C12 | C11 | C10 | 1.4° | 0.0° |
| C12 | C7 | C8 | C9 | 1.2° | 0.1° |
| C12 | C7 | N | H7 | 175.4° | 35.1° |
| C12 | C7 | C8 | H11 | 178.8° | 180.0° |
| C11 | C12 | C7 | C8 | 1.8° | 0.0° |
| C12 | C11 | N1 | C10 | 179.4° | 180.0° |
| C12 | C11 | N1 | C13 | 179.9° | 180.0° |
| C12 | C11 | C10 | C9 | 0.5° | 0.0° |
| C12 | C11 | C10 | N2 | 179.8° | 180.0° |
| C12 | C11 | N1 | H1 | 0.1° | 0.2° |
| C7 | C8 | C9 | H11 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | C7 | N | H7 | 3.8° | 144.9° |
| C8 | C7 | C12 | H8 | 178.2° | 180.0° |
| C7 | C8 | C9 | H10 | 179.8° | 180.0° |
| C11 | N1 | C13 | H1 | 180.0° | 179.8° |
| C11 | N1 | C13 | C14 | 177.9° | 180.0° |
| C11 | N1 | C13 | N2 | 0.1° | 0.0° |
| N1 | C11 | C10 | C9 | 178.9° | 180.0° |
| N1 | C11 | C10 | N2 | 0.8° | 0.0° |
| N1 | C11 | C12 | H8 | 2.1° | 0.1° |
| C13 | N1 | C11 | C10 | 0.6° | 0.0° |
| N1 | C13 | C14 | N2 | 177.9° | 179.9° |
| N1 | C13 | N2 | C10 | 0.3° | 0.1° |
| N1 | C13 | C14 | N3 | 101.0° | 95.0° |
| N1 | C13 | C14 | H12 | 138.7° | 25.0° |
| N1 | C13 | C14 | H13 | 19.4° | 145.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C11 | C10 | N2 | C13 | 0.7° | 0.1° |
| C11 | C10 | C9 | N2 | 179.6° | 179.9° |
| C10 | C11 | N1 | H1 | 179.5° | 179.8° |
| C10 | C11 | C12 | H8 | 178.6° | 179.9° |
| C11 | C10 | C9 | H10 | 179.9° | 180.0° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | N2 | 179.5° | 179.9° |
| C14 | C13 | N2 | C10 | 178.4° | 180.0° |
| C13 | C14 | N3 | H12 | 120.3° | 120.0° |
| C13 | C14 | N3 | H13 | 120.4° | 120.0° |
| C13 | C14 | N3 | C15 | 158.9° | 65.7° |
| C13 | C14 | N3 | C19 | 80.3° | 170.0° |
| C14 | C13 | N1 | H1 | 2.1° | 0.3° |
| C13 | C14 | H12 | H13 | 118.8° | 120.0° |
| C13 | N2 | C10 | C9 | 179.0° | 180.0° |
| N2 | C13 | C14 | N3 | 81.2° | 85.0° |
| N2 | C13 | N1 | H1 | 179.9° | 179.8° |
| N2 | C13 | C14 | H12 | 39.2° | 155.1° |
| N2 | C13 | C14 | H13 | 158.4° | 35.1° |
| C10 | C9 | C8 | H11 | 179.8° | 180.0° |
| N2 | C10 | C9 | H10 | 0.5° | 0.1° |
| C14 | N3 | C15 | C19 | 122.1° | 124.2° |
| C14 | N3 | C15 | C16 | 177.4° | 174.1° |
| C14 | N3 | C19 | C18 | 178.4° | 174.1° |
| N3 | C14 | H12 | H13 | 118.9° | 119.9° |
| C14 | N3 | C19 | H14 | 58.0° | 54.1° |
| C14 | N3 | C19 | H15 | 61.3° | 65.8° |
| C14 | N3 | C15 | H22 | 62.3° | 65.9° |
| C14 | N3 | C15 | H23 | 57.1° | 54.1° |
| N3 | C15 | C16 | H22 | 120.3° | 120.0° |
| N3 | C15 | C16 | H23 | 120.3° | 120.1° |
| N3 | C15 | C16 | C17 | 57.5° | 59.2° |
| C15 | N3 | C19 | C18 | 59.8° | 61.7° |
| C15 | N3 | C14 | H12 | 80.8° | 54.3° |
| C15 | N3 | C14 | H13 | 38.5° | 174.2° |
| C15 | N3 | C19 | H14 | 179.9° | 178.2° |
| C15 | N3 | C19 | H15 | 60.6° | 58.3° |
| N3 | C15 | C16 | H20 | 177.7° | 60.8° |
| N3 | C15 | C16 | H21 | 62.8° | 179.1° |
| N3 | C15 | H22 | H23 | 119.0° | 120.0° |
| C16 | C15 | N3 | C19 | 60.5° | 61.7° |
| C15 | C16 | C17 | H20 | 120.2° | 120.0° |
| C15 | C16 | C17 | H21 | 120.2° | 120.0° |
| C15 | C16 | C17 | C18 | 52.1° | 57.7° |
| C15 | C16 | C17 | H18 | 68.1° | 177.5° |
| C15 | C16 | C17 | H19 | 172.3° | 62.2° |
| C15 | C16 | H20 | H21 | 119.3° | 120.1° |
| C16 | C15 | H22 | H23 | 119.0° | 119.9° |
| N3 | C19 | C18 | H14 | 120.4° | 120.1° |
| N3 | C19 | C18 | H15 | 120.4° | 120.0° |
| N3 | C19 | C18 | C17 | 56.2° | 59.2° |
| C19 | N3 | C14 | H12 | 40.1° | 70.0° |
| C19 | N3 | C14 | H13 | 159.3° | 49.9° |
| N3 | C19 | H14 | H15 | 118.9° | 120.0° |
| N3 | C19 | C18 | H16 | 64.1° | 60.8° |
| N3 | C19 | C18 | H17 | 176.5° | 179.1° |
| C19 | N3 | C15 | H22 | 59.8° | 58.3° |
| C19 | N3 | C15 | H23 | 179.2° | 178.3° |
| C16 | C17 | C18 | C19 | 51.3° | 57.7° |
| C16 | C17 | C18 | H18 | 120.2° | 119.8° |
| C16 | C17 | C18 | H19 | 120.2° | 120.0° |
| C16 | C17 | C18 | H16 | 68.9° | 62.3° |
| C16 | C17 | C18 | H17 | 171.6° | 177.6° |
| C16 | C17 | H18 | H19 | 119.4° | 120.2° |
| C17 | C16 | H20 | H21 | 119.3° | 120.0° |
| C17 | C16 | C15 | H22 | 62.9° | 60.8° |
| C17 | C16 | C15 | H23 | 177.8° | 179.3° |
| C19 | C18 | C17 | H16 | 120.2° | 120.0° |
| C19 | C18 | C17 | H17 | 120.3° | 120.0° |
| C18 | C19 | H14 | H15 | 118.9° | 119.9° |
| C19 | C18 | H16 | H17 | 119.2° | 120.1° |
| C19 | C18 | C17 | H18 | 68.9° | 177.5° |
| C19 | C18 | C17 | H19 | 171.5° | 62.3° |
| C17 | C18 | C19 | H14 | 176.5° | 179.3° |
| C17 | C18 | C19 | H15 | 64.2° | 60.8° |
| C17 | C18 | H16 | H17 | 119.2° | 120.1° |
| C18 | C17 | H18 | H19 | 119.4° | 120.2° |
| C18 | C17 | C16 | H20 | 172.3° | 62.3° |
| C18 | C17 | C16 | H21 | 68.2° | 177.7° |
| H2 | C2 | C1 | H6 | 0.4° | 0.1° |
| H4 | C4 | C5 | H5 | 0.3° | 0.0° |
| H10 | C9 | C8 | H11 | 0.3° | 0.0° |
| H14 | C19 | C18 | H16 | 56.3° | 59.3° |
| H14 | C19 | C18 | H17 | 63.2° | 60.8° |
| H15 | C19 | C18 | H16 | 175.5° | 179.2° |
| H15 | C19 | C18 | H17 | 56.1° | 59.1° |
| H16 | C18 | C17 | H18 | 170.9° | 57.5° |
| H16 | C18 | C17 | H19 | 51.3° | 177.7° |
| H17 | C18 | C17 | H18 | 51.4° | 62.5° |
| H17 | C18 | C17 | H19 | 68.2° | 57.7° |
| H18 | C17 | C16 | H20 | 52.1° | 57.5° |
| H18 | C17 | C16 | H21 | 171.6° | 62.5° |
| H19 | C17 | C16 | H20 | 67.5° | 177.8° |
| H19 | C17 | C16 | H21 | 52.0° | 57.8° |
| H20 | C16 | C15 | H22 | 57.4° | 179.2° |
| H20 | C16 | C15 | H23 | 62.0° | 59.3° |
| H21 | C16 | C15 | H22 | 176.9° | 59.1° |
| H21 | C16 | C15 | H23 | 57.5° | 60.8° |
