M8P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C12 | C17 | doub | 1.42Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.36Å | 1.39Å | Aromatic |
| C19 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.41Å | |
| C9 | O8 | doub | 1.22Å | 1.23Å | |
| C9 | N2 | sing | 1.34Å | 1.35Å | |
| N2 | C8 | doub | 1.32Å | 1.33Å | |
| C8 | S1 | sing | 1.72Å | 1.71Å | |
| C8 | N1 | sing | 1.36Å | 1.34Å | |
| S1 | C1 | sing | 1.82Å | 1.82Å | |
| N1 | C7 | sing | 1.33Å | 1.34Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| C7 | C1 | sing | 1.51Å | 1.43Å | |
| C1 | O5 | sing | 1.42Å | 1.46Å | |
| C1 | C2 | sing | 1.52Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.57Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| O4 | HA | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HB | sing | 0.97Å | 0.95Å | |
| O2 | HC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 120.1° | 119.4° |
| C11 | C12 | C13 | 120.0° | 121.1° |
| C11 | C12 | C17 | 120.5° | 119.5° |
| C12 | C11 | H11 | 120.0° | 120.3° |
| C11 | C10 | C19 | 118.8° | 120.5° |
| C11 | C10 | C9 | 122.3° | 119.7° |
| C10 | C11 | H11 | 119.9° | 120.3° |
| C13 | C12 | C17 | 119.5° | 119.4° |
| C12 | C13 | C14 | 120.5° | 119.7° |
| C12 | C13 | H13 | 119.8° | 120.2° |
| C12 | C17 | C16 | 120.6° | 119.3° |
| C12 | C17 | C18 | 119.6° | 119.6° |
| C13 | C14 | C15 | 119.9° | 121.0° |
| C14 | C13 | H13 | 119.8° | 120.1° |
| C13 | C14 | H14 | 120.1° | 119.6° |
| C14 | C15 | C16 | 120.3° | 121.0° |
| C15 | C14 | H14 | 120.0° | 119.5° |
| C14 | C15 | H15 | 119.9° | 119.5° |
| C15 | C16 | C17 | 119.3° | 119.8° |
| C16 | C15 | H15 | 119.9° | 119.5° |
| C15 | C16 | H16 | 120.4° | 120.1° |
| C16 | C17 | C18 | 119.9° | 121.1° |
| C17 | C16 | H16 | 120.3° | 120.1° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | C10 | 121.1° | 120.9° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | H19 | 119.5° | 119.6° |
| C19 | C10 | C9 | 118.8° | 119.8° |
| C10 | C19 | H19 | 119.5° | 119.5° |
| C10 | C9 | O8 | 119.4° | 120.0° |
| C10 | C9 | N2 | 117.3° | 120.0° |
| O8 | C9 | N2 | 123.3° | 120.0° |
| C9 | N2 | C8 | 120.1° | 120.0° |
| N2 | C8 | S1 | 127.6° | 125.7° |
| N2 | C8 | N1 | 121.1° | 125.8° |
| S1 | C8 | N1 | 111.2° | 108.5° |
| C8 | S1 | C1 | 93.0° | 94.7° |
| C8 | N1 | C7 | 115.5° | 120.4° |
| C8 | N1 | H1 | 122.3° | 119.8° |
| S1 | C1 | C7 | 103.2° | 103.6° |
| S1 | C1 | O5 | 106.1° | 110.2° |
| S1 | C1 | C2 | 112.3° | 110.0° |
| N1 | C7 | O7 | 118.2° | 123.6° |
| N1 | C7 | C1 | 117.1° | 112.8° |
| C7 | N1 | H1 | 122.3° | 119.9° |
| O7 | C7 | C1 | 124.8° | 123.6° |
| C7 | C1 | O5 | 112.1° | 110.8° |
| C7 | C1 | C2 | 111.4° | 111.0° |
| O5 | C1 | C2 | 111.4° | 111.0° |
| C1 | O5 | C5 | 116.3° | 114.2° |
| C1 | C2 | C3 | 111.3° | 109.3° |
| C1 | C2 | O2 | 109.9° | 109.5° |
| C1 | C2 | H2 | 107.9° | 109.5° |
| O5 | C5 | C6 | 108.1° | 109.5° |
| O5 | C5 | C4 | 110.4° | 109.4° |
| O5 | C5 | H5 | 109.1° | 109.5° |
| C6 | C5 | C4 | 113.4° | 109.4° |
| C5 | C6 | O6 | 108.2° | 109.5° |
| C6 | C5 | H5 | 108.0° | 109.5° |
| C5 | C6 | H61C | 109.8° | 109.5° |
| C5 | C6 | H62C | 109.8° | 109.5° |
| C5 | C4 | O4 | 111.3° | 109.5° |
| C5 | C4 | C3 | 110.3° | 109.2° |
| C4 | C5 | H5 | 107.7° | 109.5° |
| C5 | C4 | H4 | 108.7° | 109.5° |
| O6 | C6 | H61C | 109.8° | 109.5° |
| O6 | C6 | H62C | 109.8° | 109.5° |
| C6 | O6 | H6 | 109.5° | 114.0° |
| O4 | C4 | C3 | 107.1° | 109.5° |
| O4 | C4 | H4 | 110.5° | 109.5° |
| C4 | O4 | HA | 109.5° | 114.0° |
| C4 | C3 | O3 | 108.1° | 109.5° |
| C4 | C3 | C2 | 110.5° | 108.9° |
| C3 | C4 | H4 | 108.9° | 109.5° |
| C4 | C3 | H3 | 109.4° | 109.5° |
| O3 | C3 | C2 | 109.2° | 109.6° |
| O3 | C3 | H3 | 110.8° | 109.6° |
| C3 | O3 | HB | 109.5° | 114.0° |
| C3 | C2 | O2 | 111.2° | 109.5° |
| C3 | C2 | H2 | 107.5° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.7° |
| O2 | C2 | H2 | 109.1° | 109.6° |
| C2 | O2 | HC | 109.5° | 114.0° |
| H61C | C6 | H62C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H11 | 180.0° | 179.8° |
| C11 | C12 | C13 | C17 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 179.4° | 179.9° |
| C11 | C12 | C17 | C16 | 179.9° | 179.9° |
| C11 | C12 | C17 | C18 | 0.3° | 0.0° |
| C12 | C11 | C10 | C19 | 0.7° | 0.0° |
| C12 | C11 | C10 | C9 | 179.0° | 180.0° |
| C11 | C12 | C13 | H13 | 0.6° | 0.1° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C12 | C17 | 0.1° | 0.0° |
| C11 | C10 | C19 | C18 | 0.9° | 0.0° |
| C11 | C10 | C19 | C9 | 178.4° | 180.0° |
| C11 | C10 | C9 | O8 | 149.3° | 0.0° |
| C11 | C10 | C9 | N2 | 31.6° | 180.0° |
| C11 | C10 | C19 | H19 | 179.1° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.1° | 0.0° |
| C13 | C12 | C17 | C16 | 0.1° | 0.0° |
| C13 | C12 | C17 | C18 | 179.6° | 180.0° |
| C13 | C12 | C11 | H11 | 0.1° | 0.2° |
| C12 | C13 | C14 | H14 | 178.9° | 180.0° |
| C17 | C12 | C13 | C14 | 0.8° | 0.0° |
| C12 | C17 | C16 | C15 | 0.2° | 0.0° |
| C12 | C17 | C16 | C18 | 179.6° | 180.0° |
| C12 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C12 | C11 | H11 | 179.9° | 179.7° |
| C17 | C12 | C13 | H13 | 179.2° | 180.0° |
| C12 | C17 | C16 | H16 | 179.8° | 179.9° |
| C12 | C17 | C18 | H18 | 179.9° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.0° |
| C13 | C14 | C15 | H15 | 179.3° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | C13 | H13 | 178.9° | 180.0° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 179.9° | 180.0° |
| C16 | C15 | C14 | H14 | 179.2° | 180.0° |
| C16 | C17 | C18 | C19 | 179.7° | 180.0° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 0.2° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C10 | 0.5° | 0.0° |
| C18 | C17 | C16 | H16 | 0.1° | 0.1° |
| C17 | C18 | C19 | H19 | 179.5° | 180.0° |
| C18 | C19 | C10 | H19 | 180.0° | 180.0° |
| C18 | C19 | C10 | C9 | 179.3° | 180.0° |
| C19 | C10 | C9 | O8 | 29.1° | 180.0° |
| C19 | C10 | C9 | N2 | 150.1° | 0.0° |
| C19 | C10 | C11 | H11 | 179.4° | 179.8° |
| C10 | C19 | C18 | H18 | 179.5° | 180.0° |
| C10 | C9 | O8 | N2 | 179.1° | 180.0° |
| C10 | C9 | N2 | C8 | 177.7° | 180.0° |
| C9 | C10 | C11 | H11 | 1.0° | 0.3° |
| C9 | C10 | C19 | H19 | 0.7° | 0.0° |
| O8 | C9 | N2 | C8 | 3.2° | 0.0° |
| C9 | N2 | C8 | S1 | 4.5° | 0.1° |
| C9 | N2 | C8 | N1 | 178.4° | 179.7° |
| N2 | C8 | S1 | N1 | 177.4° | 179.9° |
| N2 | C8 | S1 | C1 | 179.8° | 179.9° |
| N2 | C8 | N1 | C7 | 179.5° | 180.0° |
| N2 | C8 | N1 | H1 | 0.4° | 0.1° |
| S1 | C8 | N1 | C7 | 2.0° | 0.2° |
| C8 | S1 | C1 | C7 | 2.2° | 0.2° |
| C8 | S1 | C1 | O5 | 115.9° | 118.8° |
| C8 | S1 | C1 | C2 | 122.2° | 118.5° |
| S1 | C8 | N1 | H1 | 178.0° | 179.8° |
| N1 | C8 | S1 | C1 | 2.4° | 0.2° |
| C8 | N1 | C7 | H1 | 180.0° | 179.9° |
| C8 | N1 | C7 | O7 | 179.6° | 180.0° |
| C8 | N1 | C7 | C1 | 0.2° | 0.0° |
| S1 | C1 | C7 | N1 | 1.5° | 0.1° |
| S1 | C1 | C7 | O7 | 178.7° | 179.8° |
| S1 | C1 | C7 | O5 | 113.7° | 118.1° |
| S1 | C1 | C7 | C2 | 120.7° | 118.0° |
| S1 | C1 | O5 | C2 | 122.5° | 122.1° |
| S1 | C1 | O5 | C5 | 176.8° | 178.7° |
| S1 | C1 | C2 | C3 | 168.4° | 178.0° |
| S1 | C1 | C2 | O2 | 68.1° | 62.1° |
| S1 | C1 | C2 | H2 | 50.7° | 58.1° |
| N1 | C7 | O7 | C1 | 179.8° | 179.9° |
| N1 | C7 | C1 | O5 | 112.2° | 118.3° |
| N1 | C7 | C1 | C2 | 122.3° | 117.9° |
| O7 | C7 | C1 | O5 | 67.6° | 61.7° |
| O7 | C7 | C1 | C2 | 58.0° | 62.2° |
| O7 | C7 | N1 | H1 | 0.4° | 0.0° |
| C7 | C1 | O5 | C2 | 125.6° | 123.8° |
| C7 | C1 | O5 | C5 | 71.3° | 64.6° |
| C7 | C1 | C2 | C3 | 76.5° | 67.9° |
| C7 | C1 | C2 | O2 | 47.1° | 52.0° |
| C1 | C7 | N1 | H1 | 179.8° | 179.9° |
| C7 | C1 | C2 | H2 | 165.9° | 172.1° |
| C1 | O5 | C5 | C6 | 178.0° | 179.9° |
| C1 | O5 | C5 | C4 | 57.4° | 60.0° |
| O5 | C1 | C2 | C3 | 49.5° | 55.8° |
| O5 | C1 | C2 | O2 | 173.0° | 175.7° |
| O5 | C1 | C2 | H2 | 68.1° | 64.1° |
| C1 | O5 | C5 | H5 | 60.8° | 60.1° |
| C2 | C1 | O5 | C5 | 54.3° | 59.2° |
| C1 | C2 | C3 | C4 | 51.8° | 56.0° |
| C1 | C2 | C3 | O3 | 170.6° | 175.8° |
| C1 | C2 | C3 | O2 | 122.8° | 119.9° |
| C1 | C2 | C3 | H2 | 117.9° | 120.0° |
| C1 | C2 | O2 | H2 | 118.0° | 120.1° |
| C1 | C2 | C3 | H3 | 68.4° | 63.9° |
| C1 | C2 | O2 | HC | 180.0° | 180.0° |
| O5 | C5 | C6 | C4 | 122.7° | 119.9° |
| O5 | C5 | C6 | H5 | 118.0° | 120.0° |
| O5 | C5 | C4 | H5 | 119.1° | 120.1° |
| O5 | C5 | C6 | O6 | 72.9° | 65.0° |
| O5 | C5 | C4 | O4 | 175.5° | 178.1° |
| O5 | C5 | C4 | C3 | 56.7° | 58.2° |
| O5 | C5 | C6 | H61C | 46.9° | 175.0° |
| O5 | C5 | C6 | H62C | 167.3° | 55.0° |
| O5 | C5 | C4 | H4 | 62.7° | 61.7° |
| C6 | C5 | C4 | H5 | 119.5° | 120.0° |
| C5 | C6 | O6 | H61C | 119.8° | 120.0° |
| C5 | C6 | O6 | H62C | 119.8° | 120.0° |
| C6 | C5 | C4 | O4 | 63.1° | 62.0° |
| C6 | C5 | C4 | C3 | 178.2° | 178.1° |
| C5 | C6 | H61C | H62C | 120.6° | 120.0° |
| C6 | C5 | C4 | H4 | 58.8° | 58.2° |
| C5 | C6 | O6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | O6 | 49.8° | 175.1° |
| C5 | C4 | O4 | C3 | 120.7° | 119.7° |
| C5 | C4 | O4 | H4 | 120.8° | 120.2° |
| C5 | C4 | C3 | H4 | 119.2° | 119.9° |
| C5 | C4 | C3 | O3 | 174.2° | 177.4° |
| C5 | C4 | C3 | C2 | 54.8° | 57.6° |
| C4 | C5 | C6 | H61C | 169.6° | 55.1° |
| C4 | C5 | C6 | H62C | 70.0° | 64.9° |
| C5 | C4 | O4 | HA | 180.0° | 60.0° |
| C5 | C4 | C3 | H3 | 65.0° | 62.4° |
| O6 | C6 | C5 | H5 | 169.2° | 55.0° |
| O6 | C6 | H61C | H62C | 120.5° | 120.0° |
| O4 | C4 | C3 | H4 | 119.5° | 120.1° |
| O4 | C4 | C3 | O3 | 64.5° | 62.7° |
| O4 | C4 | C3 | C2 | 176.0° | 177.5° |
| O4 | C4 | C5 | H5 | 56.4° | 58.0° |
| O4 | C4 | C3 | H3 | 56.3° | 57.5° |
| C4 | C3 | O3 | C2 | 120.2° | 119.5° |
| C4 | C3 | O3 | H3 | 119.9° | 120.2° |
| C4 | C3 | C2 | H3 | 120.1° | 119.9° |
| C4 | C3 | C2 | O2 | 174.5° | 175.9° |
| C4 | C3 | C2 | H2 | 66.1° | 64.0° |
| C3 | C4 | C5 | H5 | 62.4° | 61.8° |
| C3 | C4 | O4 | HA | 59.3° | 179.7° |
| C4 | C3 | O3 | HB | 180.0° | 60.0° |
| O3 | C3 | C2 | H3 | 121.1° | 120.3° |
| O3 | C3 | C2 | O2 | 66.6° | 64.3° |
| O3 | C3 | C2 | H2 | 52.7° | 55.8° |
| O3 | C3 | C4 | H4 | 55.0° | 57.5° |
| C3 | C2 | O2 | H2 | 118.4° | 120.1° |
| C2 | C3 | C4 | H4 | 64.5° | 62.4° |
| C2 | C3 | O3 | HB | 59.7° | 179.5° |
| C3 | C2 | O2 | HC | 56.4° | 60.3° |
| O2 | C2 | C3 | H3 | 54.4° | 56.0° |
| H13 | C13 | C14 | H14 | 1.1° | 0.0° |
| H14 | C14 | C15 | H15 | 0.7° | 0.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| H18 | C18 | C19 | H19 | 0.5° | 0.0° |
| H2 | C2 | C3 | H3 | 173.8° | 176.1° |
| H2 | C2 | O2 | HC | 62.0° | 59.8° |
| H5 | C5 | C6 | H61C | 71.0° | 65.0° |
| H5 | C5 | C6 | H62C | 49.4° | 175.0° |
| H5 | C5 | C4 | H4 | 178.3° | 178.2° |
| H61C | C6 | O6 | H6 | 60.1° | 59.9° |
| H62C | C6 | O6 | H6 | 60.2° | 60.1° |
| H4 | C4 | O4 | HA | 59.2° | 60.1° |
| H4 | C4 | C3 | H3 | 175.8° | 177.7° |
| H3 | C3 | O3 | HB | 60.1° | 60.2° |
