M8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C1 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C7 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.43Å | |
| N1 | C8 | sing | 1.47Å | 1.35Å | |
| C8 | N2 | sing | 1.47Å | 1.30Å | |
| N2 | O1 | sing | 1.46Å | 1.43Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å | |
| N2 | H21 | sing | 1.01Å | 1.00Å | |
| O1 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C1 | 113.7° | 109.5° |
| C9 | C10 | C11 | 114.8° | 109.5° |
| C9 | C10 | H1 | 108.1° | 109.5° |
| C9 | C10 | H2 | 108.1° | 109.4° |
| C10 | C9 | H18 | 108.4° | 109.5° |
| C10 | C9 | H19 | 108.4° | 109.5° |
| C9 | C1 | C6 | 121.3° | 119.9° |
| C9 | C1 | C2 | 120.7° | 119.9° |
| C1 | C9 | H18 | 108.4° | 109.5° |
| C1 | C9 | H19 | 108.4° | 109.5° |
| C10 | C11 | C13 | 111.7° | 109.5° |
| C10 | C11 | C12 | 112.8° | 109.5° |
| C11 | C10 | H1 | 108.1° | 109.5° |
| C11 | C10 | H2 | 108.1° | 109.5° |
| C10 | C11 | H3 | 107.0° | 109.4° |
| C1 | C6 | C5 | 121.5° | 120.1° |
| C6 | C1 | C2 | 118.0° | 120.2° |
| C1 | C6 | H12 | 119.2° | 120.0° |
| C6 | C5 | C7 | 120.3° | 120.0° |
| C6 | C5 | C4 | 118.7° | 119.9° |
| C5 | C6 | H12 | 119.2° | 120.0° |
| C1 | C2 | C3 | 121.6° | 120.1° |
| C1 | C2 | H10 | 119.2° | 119.9° |
| C13 | C11 | C12 | 110.7° | 109.5° |
| C13 | C11 | H3 | 107.1° | 109.5° |
| C11 | C13 | H7 | 109.5° | 109.5° |
| C11 | C13 | H8 | 109.5° | 109.5° |
| C11 | C13 | H9 | 109.5° | 109.5° |
| C12 | C11 | H3 | 107.1° | 109.5° |
| C11 | C12 | H4 | 109.5° | 109.4° |
| C11 | C12 | H5 | 109.5° | 109.4° |
| C11 | C12 | H6 | 109.5° | 109.5° |
| C7 | C5 | C4 | 121.1° | 120.0° |
| C5 | C7 | H13 | 109.5° | 109.5° |
| C5 | C7 | H14 | 109.5° | 109.4° |
| C5 | C7 | H15 | 109.5° | 109.5° |
| C5 | C4 | C3 | 120.3° | 119.8° |
| C5 | C4 | N1 | 119.2° | 120.0° |
| C2 | C3 | C4 | 119.9° | 119.9° |
| C3 | C2 | H10 | 119.2° | 120.0° |
| C2 | C3 | H11 | 120.0° | 120.0° |
| C3 | C4 | N1 | 120.4° | 120.1° |
| C4 | C3 | H11 | 120.0° | 120.0° |
| C4 | N1 | C8 | 124.0° | 120.0° |
| C4 | N1 | H20 | 105.7° | 120.0° |
| N1 | C8 | N2 | 121.5° | 109.5° |
| N1 | C8 | H16 | 106.4° | 109.5° |
| N1 | C8 | H17 | 106.4° | 109.5° |
| C8 | N1 | H20 | 105.7° | 120.0° |
| C8 | N2 | O1 | 109.4° | 111.0° |
| N2 | C8 | H16 | 106.4° | 109.5° |
| N2 | C8 | H17 | 106.4° | 109.5° |
| C8 | N2 | H21 | 109.5° | 111.0° |
| O1 | N2 | H21 | 109.4° | 111.0° |
| N2 | O1 | H22 | 109.5° | 113.9° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.4° | 109.5° |
| H4 | C12 | H6 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.4° | 109.5° |
| H13 | C7 | H14 | 109.5° | 109.4° |
| H13 | C7 | H15 | 109.4° | 109.5° |
| H14 | C7 | H15 | 109.5° | 109.5° |
| H16 | C8 | H17 | 109.5° | 109.4° |
| H18 | C9 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C1 | H18 | 120.6° | 120.0° |
| C10 | C9 | C1 | H19 | 120.6° | 120.1° |
| C9 | C10 | C11 | H1 | 120.8° | 120.0° |
| C9 | C10 | C11 | H2 | 120.8° | 120.0° |
| C10 | C9 | C1 | C6 | 56.6° | 90.2° |
| C10 | C9 | C1 | C2 | 124.1° | 90.0° |
| C9 | C10 | C11 | C13 | 132.6° | 65.0° |
| C9 | C10 | C11 | C12 | 7.1° | 175.0° |
| C9 | C10 | H1 | H2 | 117.5° | 120.0° |
| C9 | C10 | C11 | H3 | 110.5° | 55.0° |
| C10 | C9 | H18 | H19 | 118.1° | 120.0° |
| C1 | C9 | C10 | C11 | 90.3° | 180.0° |
| C9 | C1 | C6 | C2 | 179.4° | 179.7° |
| C9 | C1 | C6 | C5 | 179.6° | 179.7° |
| C9 | C1 | C2 | C3 | 178.7° | 179.7° |
| C1 | C9 | C10 | H1 | 148.9° | 60.0° |
| C1 | C9 | C10 | H2 | 30.5° | 60.0° |
| C9 | C1 | C2 | H10 | 1.3° | 0.3° |
| C9 | C1 | C6 | H12 | 0.4° | 0.2° |
| C1 | C9 | H18 | H19 | 118.1° | 120.0° |
| C10 | C11 | C13 | C12 | 126.6° | 120.0° |
| C10 | C11 | C13 | H3 | 116.9° | 120.0° |
| C10 | C11 | C12 | H3 | 117.5° | 119.9° |
| C11 | C10 | H1 | H2 | 117.6° | 120.0° |
| C10 | C11 | C12 | H4 | 180.0° | 60.1° |
| C10 | C11 | C12 | H5 | 60.0° | 180.0° |
| C10 | C11 | C12 | H6 | 60.0° | 60.0° |
| C10 | C11 | C13 | H7 | 180.0° | 180.0° |
| C10 | C11 | C13 | H8 | 60.0° | 60.0° |
| C10 | C11 | C13 | H9 | 60.0° | 60.0° |
| C11 | C10 | C9 | H18 | 149.1° | 60.0° |
| C11 | C10 | C9 | H19 | 30.3° | 60.0° |
| C1 | C6 | C5 | H12 | 180.0° | 179.9° |
| C1 | C6 | C5 | C7 | 179.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C6 | C1 | C2 | C3 | 1.9° | 0.1° |
| C6 | C1 | C2 | H10 | 178.1° | 180.0° |
| C6 | C1 | C9 | H18 | 64.1° | 29.8° |
| C6 | C1 | C9 | H19 | 177.2° | 149.7° |
| C5 | C6 | C1 | C2 | 1.0° | 0.0° |
| C6 | C5 | C7 | C4 | 179.7° | 179.9° |
| C6 | C5 | C4 | C3 | 1.4° | 0.0° |
| C6 | C5 | C4 | N1 | 178.7° | 180.0° |
| C6 | C5 | C7 | H13 | 90.1° | 89.9° |
| C6 | C5 | C7 | H14 | 149.8° | 30.0° |
| C6 | C5 | C7 | H15 | 29.8° | 150.0° |
| C1 | C2 | C3 | H10 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.2° | 0.1° |
| C1 | C2 | C3 | H11 | 178.8° | 180.0° |
| C2 | C1 | C6 | H12 | 179.0° | 180.0° |
| C2 | C1 | C9 | H18 | 115.3° | 150.0° |
| C2 | C1 | C9 | H19 | 3.4° | 30.1° |
| C13 | C11 | C12 | H3 | 116.5° | 120.1° |
| C13 | C11 | C10 | H1 | 106.6° | 55.0° |
| C13 | C11 | C10 | H2 | 11.8° | 175.0° |
| C13 | C11 | C12 | H4 | 54.0° | 60.0° |
| C13 | C11 | C12 | H5 | 66.0° | 60.0° |
| C13 | C11 | C12 | H6 | 174.0° | 180.0° |
| C11 | C13 | H7 | H8 | 120.0° | 120.0° |
| C11 | C13 | H7 | H9 | 120.0° | 120.0° |
| C11 | C13 | H8 | H9 | 120.0° | 120.0° |
| C12 | C11 | C10 | H1 | 127.9° | 65.0° |
| C12 | C11 | C10 | H2 | 113.7° | 55.0° |
| C11 | C12 | H4 | H5 | 120.0° | 119.9° |
| C11 | C12 | H4 | H6 | 120.0° | 120.1° |
| C11 | C12 | H5 | H6 | 120.0° | 120.0° |
| C12 | C11 | C13 | H7 | 53.4° | 60.0° |
| C12 | C11 | C13 | H8 | 173.4° | 60.0° |
| C12 | C11 | C13 | H9 | 66.7° | 180.0° |
| C7 | C5 | C4 | C3 | 178.9° | 179.9° |
| C7 | C5 | C4 | N1 | 1.6° | 0.1° |
| C7 | C5 | C6 | H12 | 0.3° | 0.0° |
| C5 | C7 | H13 | H14 | 120.0° | 120.0° |
| C5 | C7 | H13 | H15 | 120.0° | 120.0° |
| C5 | C7 | H14 | H15 | 120.0° | 120.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C5 | C4 | C3 | N1 | 177.3° | 180.0° |
| C5 | C4 | N1 | C8 | 159.3° | 180.0° |
| C5 | C4 | C3 | H11 | 179.5° | 179.9° |
| C4 | C5 | C6 | H12 | 179.4° | 179.9° |
| C4 | C5 | C7 | H13 | 90.2° | 90.0° |
| C4 | C5 | C7 | H14 | 29.9° | 150.0° |
| C4 | C5 | C7 | H15 | 149.8° | 30.0° |
| C5 | C4 | N1 | H20 | 78.8° | 0.0° |
| C2 | C3 | C4 | H11 | 180.0° | 179.9° |
| C2 | C3 | C4 | N1 | 177.9° | 180.0° |
| C3 | C4 | N1 | C8 | 18.1° | 0.0° |
| C4 | C3 | C2 | H10 | 178.8° | 180.0° |
| C3 | C4 | N1 | H20 | 103.9° | 180.0° |
| C4 | N1 | C8 | H20 | 122.0° | 180.0° |
| C4 | N1 | C8 | N2 | 153.4° | 95.0° |
| N1 | C4 | C3 | H11 | 2.2° | 0.1° |
| C4 | N1 | C8 | H16 | 84.9° | 144.9° |
| C4 | N1 | C8 | H17 | 31.8° | 25.0° |
| N1 | C8 | N2 | H16 | 121.7° | 120.0° |
| N1 | C8 | N2 | H17 | 121.6° | 120.0° |
| N1 | C8 | N2 | O1 | 3.4° | 180.0° |
| N1 | C8 | H16 | H17 | 114.6° | 120.0° |
| N1 | C8 | N2 | H21 | 123.4° | 56.0° |
| C8 | N2 | O1 | H21 | 120.0° | 124.0° |
| N2 | C8 | H16 | H17 | 114.6° | 120.0° |
| N2 | C8 | N1 | H20 | 31.5° | 85.0° |
| C8 | N2 | O1 | H22 | 180.0° | 180.0° |
| O1 | N2 | C8 | H16 | 118.2° | 60.0° |
| O1 | N2 | C8 | H17 | 125.1° | 60.0° |
| H1 | C10 | C11 | H3 | 10.3° | 175.1° |
| H1 | C10 | C9 | H18 | 28.3° | 60.0° |
| H1 | C10 | C9 | H19 | 90.5° | 180.0° |
| H2 | C10 | C11 | H3 | 128.8° | 65.0° |
| H2 | C10 | C9 | H18 | 90.1° | 180.0° |
| H2 | C10 | C9 | H19 | 151.1° | 60.0° |
| H3 | C11 | C12 | H4 | 62.6° | 180.0° |
| H3 | C11 | C12 | H5 | 177.5° | 60.1° |
| H3 | C11 | C12 | H6 | 57.5° | 59.9° |
| H3 | C11 | C13 | H7 | 63.1° | 60.0° |
| H3 | C11 | C13 | H8 | 56.9° | 180.0° |
| H3 | C11 | C13 | H9 | 176.8° | 60.0° |
| H4 | C12 | H5 | H6 | 120.0° | 120.1° |
| H7 | C13 | H8 | H9 | 120.0° | 120.0° |
| H10 | C2 | C3 | H11 | 1.2° | 0.1° |
| H13 | C7 | H14 | H15 | 119.9° | 120.0° |
| H16 | C8 | N1 | H20 | 153.1° | 35.1° |
| H16 | C8 | N2 | H21 | 1.7° | 176.1° |
| H17 | C8 | N1 | H20 | 90.2° | 155.0° |
| H17 | C8 | N2 | H21 | 115.0° | 63.9° |
| H21 | N2 | O1 | H22 | 60.0° | 56.1° |
