1MN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C10 | C9 | sing | 1.50Å | 1.60Å | |
| C10 | O2 | sing | 1.43Å | 1.42Å | |
| O1 | C9 | doub | 1.21Å | 1.23Å | |
| C9 | N1 | sing | 1.34Å | 1.35Å | |
| O2 | C18 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | C7 | sing | 1.53Å | 1.52Å | |
| N1 | C7 | sing | 1.46Å | 1.41Å | |
| N1 | C8 | sing | 1.46Å | 1.47Å | |
| C19 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | BR2 | sing | 1.89Å | 1.85Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | BR1 | sing | 1.89Å | 1.87Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 119.7° | 120.0° |
| C15 | C16 | C17 | 120.5° | 120.0° |
| C16 | C15 | H14 | 120.2° | 120.0° |
| C15 | C16 | H15 | 119.7° | 120.0° |
| C15 | C14 | C13 | 120.3° | 120.0° |
| C15 | C14 | H13 | 119.8° | 120.0° |
| C14 | C15 | H14 | 120.1° | 120.0° |
| C16 | C17 | C12 | 121.4° | 120.0° |
| C17 | C16 | H15 | 119.7° | 120.0° |
| C16 | C17 | H16 | 119.3° | 120.0° |
| C14 | C13 | C12 | 119.8° | 120.0° |
| C14 | C13 | H12 | 120.1° | 120.0° |
| C13 | C14 | H13 | 119.9° | 120.0° |
| C17 | C12 | C13 | 118.2° | 120.0° |
| C17 | C12 | C11 | 116.5° | 120.0° |
| C12 | C17 | H16 | 119.3° | 120.1° |
| C13 | C12 | C11 | 125.3° | 120.0° |
| C12 | C13 | H12 | 120.1° | 120.0° |
| C12 | C11 | C10 | 115.2° | 109.4° |
| C12 | C11 | H10 | 108.0° | 109.5° |
| C12 | C11 | H11 | 108.0° | 109.5° |
| C11 | C10 | C9 | 109.1° | 109.4° |
| C11 | C10 | O2 | 114.5° | 109.4° |
| C11 | C10 | H9 | 107.1° | 109.4° |
| C10 | C11 | H10 | 108.0° | 109.5° |
| C10 | C11 | H11 | 108.0° | 109.5° |
| C9 | C10 | O2 | 110.2° | 109.8° |
| C10 | C9 | O1 | 118.4° | 118.8° |
| C10 | C9 | N1 | 121.6° | 122.3° |
| C9 | C10 | H9 | 106.7° | 109.4° |
| C10 | O2 | C18 | 115.0° | 113.0° |
| O2 | C10 | H9 | 108.8° | 109.4° |
| O1 | C9 | N1 | 120.0° | 118.8° |
| C9 | N1 | C7 | 118.6° | 122.5° |
| C9 | N1 | C8 | 123.4° | 118.7° |
| O2 | C18 | C19 | 105.1° | 109.6° |
| O2 | C18 | C7 | 106.2° | 108.8° |
| O2 | C18 | H17 | 112.1° | 109.6° |
| C19 | C18 | C7 | 112.2° | 109.5° |
| C18 | C19 | C24 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C19 | C18 | H17 | 110.6° | 109.6° |
| C18 | C7 | N1 | 113.6° | 109.8° |
| C18 | C7 | C6 | 118.0° | 109.4° |
| C18 | C7 | H5 | 104.3° | 109.4° |
| C7 | C18 | H17 | 110.5° | 109.8° |
| C7 | N1 | C8 | 118.0° | 118.7° |
| N1 | C7 | C6 | 109.8° | 109.4° |
| N1 | C7 | H5 | 105.5° | 109.4° |
| N1 | C8 | H6 | 109.5° | 109.5° |
| N1 | C8 | H7 | 109.5° | 109.5° |
| N1 | C8 | H8 | 109.5° | 109.5° |
| C24 | C19 | C20 | 119.6° | 120.0° |
| C19 | C24 | C23 | 122.0° | 120.0° |
| C19 | C24 | H21 | 119.0° | 120.0° |
| C19 | C20 | C21 | 118.9° | 120.0° |
| C19 | C20 | H18 | 120.6° | 120.0° |
| C24 | C23 | C22 | 117.0° | 120.0° |
| C24 | C23 | H20 | 121.5° | 120.0° |
| C23 | C24 | H21 | 119.0° | 120.0° |
| C7 | C6 | C5 | 119.3° | 120.0° |
| C7 | C6 | C3 | 122.2° | 120.0° |
| C6 | C7 | H5 | 104.2° | 109.4° |
| C20 | C21 | C22 | 119.3° | 120.0° |
| C21 | C20 | H18 | 120.6° | 120.0° |
| C20 | C21 | H19 | 120.4° | 120.0° |
| C23 | C22 | C21 | 123.3° | 120.0° |
| C23 | C22 | BR2 | 119.3° | 120.0° |
| C22 | C23 | H20 | 121.5° | 120.0° |
| C21 | C22 | BR2 | 117.1° | 120.0° |
| C22 | C21 | H19 | 120.4° | 120.0° |
| C6 | C5 | C4 | 117.8° | 120.0° |
| C5 | C6 | C3 | 118.4° | 120.0° |
| C6 | C5 | H4 | 121.1° | 120.0° |
| C5 | C4 | C1 | 120.8° | 120.0° |
| C5 | C4 | H3 | 119.6° | 120.0° |
| C4 | C5 | H4 | 121.1° | 120.0° |
| C6 | C3 | C2 | 124.4° | 120.1° |
| C6 | C3 | H1 | 117.8° | 120.0° |
| C4 | C1 | C2 | 122.2° | 120.0° |
| C4 | C1 | BR1 | 117.5° | 120.0° |
| C1 | C4 | H3 | 119.6° | 120.0° |
| C3 | C2 | C1 | 116.3° | 119.9° |
| C2 | C3 | H1 | 117.8° | 119.9° |
| C3 | C2 | H2 | 121.8° | 120.0° |
| C2 | C1 | BR1 | 120.0° | 120.0° |
| C1 | C2 | H2 | 121.9° | 120.0° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H8 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H14 | 180.0° | 179.6° |
| C15 | C16 | C17 | H15 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.0° | 0.0° |
| C15 | C16 | C17 | C12 | 0.0° | 0.6° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.3° |
| C15 | C14 | C13 | H13 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.0° | 0.0° |
| C15 | C14 | C13 | H12 | 180.0° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C16 | C17 | C12 | H16 | 180.0° | 179.4° |
| C16 | C17 | C12 | C13 | 0.1° | 0.6° |
| C16 | C17 | C12 | C11 | 179.4° | 179.7° |
| C17 | C16 | C15 | H14 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 0.1° | 0.3° |
| C14 | C13 | C12 | H12 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 179.4° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.7° |
| C17 | C12 | C13 | C11 | 179.4° | 179.7° |
| C17 | C12 | C11 | C10 | 92.4° | 90.3° |
| C17 | C12 | C11 | H10 | 28.4° | 149.7° |
| C17 | C12 | C11 | H11 | 146.7° | 29.7° |
| C17 | C12 | C13 | H12 | 180.0° | 179.8° |
| C12 | C17 | C16 | H15 | 180.0° | 179.8° |
| C13 | C12 | C11 | C10 | 88.2° | 90.0° |
| C13 | C12 | C11 | H10 | 151.0° | 30.0° |
| C13 | C12 | C11 | H11 | 32.7° | 150.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C13 | C12 | C17 | H16 | 179.9° | 180.0° |
| C12 | C11 | C10 | H10 | 120.9° | 120.0° |
| C12 | C11 | C10 | H11 | 120.9° | 120.0° |
| C12 | C11 | C10 | C9 | 166.4° | 175.0° |
| C12 | C11 | C10 | O2 | 69.5° | 64.7° |
| C12 | C11 | C10 | H9 | 51.2° | 55.2° |
| C12 | C11 | H10 | H11 | 117.4° | 120.0° |
| C11 | C12 | C13 | H12 | 0.6° | 0.1° |
| C11 | C12 | C17 | H16 | 0.6° | 0.3° |
| C11 | C10 | C9 | O2 | 126.6° | 120.1° |
| C11 | C10 | C9 | H9 | 115.4° | 119.8° |
| C11 | C10 | O2 | H9 | 119.8° | 119.9° |
| C11 | C10 | C9 | O1 | 60.9° | 75.8° |
| C11 | C10 | C9 | N1 | 120.4° | 104.2° |
| C11 | C10 | O2 | C18 | 84.0° | 70.5° |
| C10 | C11 | H10 | H11 | 117.4° | 120.0° |
| C9 | C10 | O2 | H9 | 116.7° | 120.1° |
| C10 | C9 | O1 | N1 | 178.7° | 180.0° |
| C9 | C10 | O2 | C18 | 39.5° | 49.6° |
| C10 | C9 | N1 | C7 | 2.7° | 1.9° |
| C10 | C9 | N1 | C8 | 179.4° | 178.2° |
| C9 | C10 | C11 | H10 | 45.6° | 65.0° |
| C9 | C10 | C11 | H11 | 72.7° | 55.0° |
| O2 | C10 | C9 | O1 | 172.5° | 164.1° |
| O2 | C10 | C9 | N1 | 6.2° | 15.9° |
| C10 | O2 | C18 | C19 | 174.9° | 171.8° |
| C10 | O2 | C18 | C7 | 66.0° | 68.5° |
| O2 | C10 | C11 | H10 | 169.6° | 55.3° |
| O2 | C10 | C11 | H11 | 51.4° | 175.3° |
| C10 | O2 | C18 | H17 | 54.8° | 51.5° |
| O1 | C9 | N1 | C7 | 175.9° | 178.1° |
| O1 | C9 | N1 | C8 | 2.0° | 1.8° |
| O1 | C9 | C10 | H9 | 54.5° | 44.0° |
| C9 | N1 | C7 | C18 | 29.6° | 18.4° |
| C9 | N1 | C7 | C8 | 178.0° | 179.9° |
| C9 | N1 | C7 | C6 | 105.0° | 101.8° |
| C9 | N1 | C7 | H5 | 143.3° | 138.4° |
| C9 | N1 | C8 | H6 | 180.0° | 90.0° |
| C9 | N1 | C8 | H7 | 60.0° | 30.0° |
| C9 | N1 | C8 | H8 | 60.0° | 150.0° |
| N1 | C9 | C10 | H9 | 124.2° | 136.0° |
| O2 | C18 | C19 | C7 | 115.0° | 119.2° |
| O2 | C18 | C19 | H17 | 121.1° | 120.3° |
| O2 | C18 | C7 | H17 | 121.8° | 119.9° |
| O2 | C18 | C7 | N1 | 59.9° | 49.3° |
| O2 | C18 | C19 | C24 | 13.7° | 140.0° |
| O2 | C18 | C19 | C20 | 166.1° | 40.3° |
| O2 | C18 | C7 | C6 | 70.7° | 70.9° |
| O2 | C18 | C7 | H5 | 174.3° | 169.3° |
| C18 | O2 | C10 | H9 | 156.3° | 169.7° |
| C19 | C18 | C7 | H17 | 124.0° | 120.3° |
| C19 | C18 | C7 | N1 | 174.2° | 169.0° |
| C18 | C19 | C24 | C20 | 179.8° | 179.7° |
| C18 | C19 | C24 | C23 | 179.8° | 179.8° |
| C19 | C18 | C7 | C6 | 43.6° | 48.9° |
| C18 | C19 | C20 | C21 | 180.0° | 179.9° |
| C19 | C18 | C7 | H5 | 71.4° | 70.9° |
| C18 | C19 | C20 | H18 | 0.0° | 0.1° |
| C18 | C19 | C24 | H21 | 0.2° | 0.1° |
| C18 | C7 | N1 | C6 | 134.6° | 120.1° |
| C18 | C7 | N1 | H5 | 113.7° | 120.0° |
| C18 | C7 | N1 | C8 | 152.4° | 161.7° |
| C7 | C18 | C19 | C24 | 101.2° | 100.7° |
| C7 | C18 | C19 | C20 | 79.0° | 79.0° |
| C18 | C7 | C6 | H5 | 115.1° | 119.8° |
| C18 | C7 | C6 | C5 | 84.3° | 99.8° |
| C18 | C7 | C6 | C3 | 94.5° | 79.7° |
| N1 | C7 | C6 | H5 | 112.6° | 119.8° |
| N1 | C7 | C6 | C5 | 48.1° | 139.8° |
| N1 | C7 | C6 | C3 | 133.2° | 40.7° |
| C7 | N1 | C8 | H6 | 2.1° | 89.9° |
| C7 | N1 | C8 | H7 | 117.9° | 150.1° |
| C7 | N1 | C8 | H8 | 122.1° | 30.0° |
| N1 | C7 | C18 | H17 | 61.8° | 70.6° |
| C8 | N1 | C7 | C6 | 73.0° | 78.2° |
| C8 | N1 | C7 | H5 | 38.7° | 41.7° |
| N1 | C8 | H6 | H7 | 120.0° | 120.0° |
| N1 | C8 | H6 | H8 | 120.0° | 120.0° |
| N1 | C8 | H7 | H8 | 120.0° | 120.0° |
| C19 | C24 | C23 | H21 | 180.0° | 179.7° |
| C24 | C19 | C20 | C21 | 0.2° | 0.2° |
| C19 | C24 | C23 | C22 | 0.2° | 0.6° |
| C24 | C19 | C18 | H17 | 134.8° | 19.7° |
| C24 | C19 | C20 | H18 | 179.8° | 179.8° |
| C19 | C24 | C23 | H20 | 179.8° | 179.8° |
| C20 | C19 | C24 | C23 | 0.4° | 0.5° |
| C19 | C20 | C21 | H18 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.5° | 0.0° |
| C20 | C19 | C18 | H17 | 44.9° | 160.6° |
| C19 | C20 | C21 | H19 | 179.5° | 180.0° |
| C20 | C19 | C24 | H21 | 179.6° | 179.8° |
| C24 | C23 | C22 | H20 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 1.0° | 0.3° |
| C24 | C23 | C22 | BR2 | 173.3° | 179.7° |
| C7 | C6 | C5 | C3 | 178.8° | 179.4° |
| C7 | C6 | C5 | C4 | 177.9° | 180.0° |
| C7 | C6 | C3 | C2 | 177.7° | 180.0° |
| C7 | C6 | C3 | H1 | 2.3° | 0.3° |
| C7 | C6 | C5 | H4 | 2.1° | 0.5° |
| C6 | C7 | C18 | H17 | 167.5° | 169.2° |
| C20 | C21 | C22 | C23 | 1.1° | 0.0° |
| C20 | C21 | C22 | H19 | 180.0° | 180.0° |
| C20 | C21 | C22 | BR2 | 173.3° | 180.0° |
| C23 | C22 | C21 | BR2 | 174.4° | 180.0° |
| C23 | C22 | C21 | H19 | 178.8° | 179.9° |
| C22 | C23 | C24 | H21 | 179.8° | 179.7° |
| C22 | C21 | C20 | H18 | 179.5° | 180.0° |
| C21 | C22 | C23 | H20 | 179.0° | 180.0° |
| BR2 | C22 | C21 | H19 | 6.7° | 0.1° |
| BR2 | C22 | C23 | H20 | 6.7° | 0.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.4° |
| C6 | C5 | C4 | C1 | 0.3° | 0.3° |
| C5 | C6 | C3 | C2 | 1.0° | 0.6° |
| C5 | C6 | C3 | H1 | 178.9° | 179.8° |
| C6 | C5 | C4 | H3 | 179.8° | 179.7° |
| C5 | C6 | C7 | H5 | 160.6° | 20.0° |
| C4 | C5 | C6 | C3 | 0.9° | 0.6° |
| C5 | C4 | C1 | H3 | 180.0° | 180.0° |
| C5 | C4 | C1 | C2 | 1.4° | 0.0° |
| C5 | C4 | C1 | BR1 | 173.1° | 180.0° |
| C6 | C3 | C2 | H1 | 180.0° | 179.7° |
| C6 | C3 | C2 | C1 | 0.1° | 0.3° |
| C6 | C3 | C2 | H2 | 179.9° | 179.8° |
| C3 | C6 | C5 | H4 | 179.1° | 180.0° |
| C3 | C6 | C7 | H5 | 20.6° | 160.5° |
| C4 | C1 | C2 | C3 | 1.3° | 0.0° |
| C4 | C1 | C2 | BR1 | 174.4° | 180.0° |
| C4 | C1 | C2 | H2 | 178.7° | 180.0° |
| C1 | C4 | C5 | H4 | 179.8° | 179.7° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | BR1 | 173.0° | 179.9° |
| C1 | C2 | C3 | H1 | 179.9° | 180.0° |
| C2 | C1 | C4 | H3 | 178.6° | 180.0° |
| BR1 | C1 | C2 | H2 | 7.0° | 0.1° |
| BR1 | C1 | C4 | H3 | 6.9° | 0.0° |
| H1 | C3 | C2 | H2 | 0.1° | 0.1° |
| H3 | C4 | C5 | H4 | 0.2° | 0.3° |
| H5 | C7 | C18 | H17 | 52.6° | 49.4° |
| H6 | C8 | H7 | H8 | 120.0° | 119.9° |
| H9 | C10 | C11 | H10 | 69.6° | 175.2° |
| H9 | C10 | C11 | H11 | 172.1° | 64.8° |
| H12 | C13 | C14 | H13 | 0.0° | 0.1° |
| H13 | C14 | C15 | H14 | 0.0° | 0.4° |
| H14 | C15 | C16 | H15 | 0.0° | 0.4° |
| H15 | C16 | C17 | H16 | 0.0° | 0.3° |
| H18 | C20 | C21 | H19 | 0.5° | 0.0° |
| H20 | C23 | C24 | H21 | 0.2° | 0.1° |
