20P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | O13 | doub | 1.21Å | 1.22Å | |
| C12 | N14 | sing | 1.35Å | 1.36Å | |
| N14 | C15 | sing | 1.40Å | 1.40Å | |
| C15 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | N18 | doub | 1.32Å | 1.32Å | Aromatic |
| C17 | N18 | sing | 1.32Å | 1.32Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| N14 | H10 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 119.4° | 119.9° |
| C1 | C6 | C5 | 120.3° | 120.0° |
| C6 | C1 | H1 | 120.3° | 120.0° |
| C1 | C6 | H5 | 119.9° | 120.0° |
| C1 | C2 | C3 | 120.1° | 120.1° |
| C2 | C1 | H1 | 120.3° | 120.1° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C6 | C5 | C4 | 120.3° | 120.0° |
| C6 | C5 | H4 | 119.8° | 120.0° |
| C5 | C6 | H5 | 119.8° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C5 | C4 | C3 | 119.4° | 120.0° |
| C5 | C4 | C7 | 119.9° | 120.0° |
| C4 | C5 | H4 | 119.8° | 120.0° |
| C3 | C4 | C7 | 120.7° | 120.0° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| C4 | C7 | C9 | 123.0° | 117.5° |
| C4 | C7 | C10 | 118.8° | 117.5° |
| C4 | C7 | H6 | 114.7° | 115.6° |
| C9 | C7 | C10 | 60.1° | 60.0° |
| C7 | C9 | C10 | 60.2° | 60.0° |
| C9 | C7 | H6 | 114.7° | 117.5° |
| C7 | C9 | H7 | 120.0° | 117.5° |
| C7 | C9 | H8 | 120.0° | 117.5° |
| C7 | C10 | C9 | 59.8° | 60.0° |
| C7 | C10 | C12 | 114.9° | 117.5° |
| C10 | C7 | H6 | 114.6° | 117.5° |
| C7 | C10 | H9 | 116.5° | 117.5° |
| C9 | C10 | C12 | 119.7° | 117.5° |
| C10 | C9 | H7 | 120.0° | 117.5° |
| C10 | C9 | H8 | 120.0° | 117.5° |
| C9 | C10 | H9 | 116.5° | 117.5° |
| C10 | C12 | O13 | 119.4° | 120.0° |
| C10 | C12 | N14 | 117.1° | 120.0° |
| C12 | C10 | H9 | 116.9° | 115.6° |
| O13 | C12 | N14 | 123.4° | 120.0° |
| C12 | N14 | C15 | 127.3° | 120.0° |
| C12 | N14 | H10 | 116.4° | 120.0° |
| N14 | C15 | C20 | 117.7° | 120.9° |
| N14 | C15 | C16 | 124.5° | 120.8° |
| C15 | N14 | H10 | 116.4° | 120.0° |
| C20 | C15 | C16 | 117.8° | 118.3° |
| C15 | C20 | C19 | 119.4° | 119.0° |
| C15 | C20 | H14 | 120.3° | 120.5° |
| C15 | C16 | C17 | 119.4° | 119.0° |
| C15 | C16 | H11 | 120.3° | 120.5° |
| C20 | C19 | N18 | 120.5° | 120.9° |
| C20 | C19 | H13 | 119.8° | 119.6° |
| C19 | C20 | H14 | 120.3° | 120.4° |
| C16 | C17 | N18 | 120.4° | 120.9° |
| C17 | C16 | H11 | 120.3° | 120.5° |
| C16 | C17 | H12 | 119.8° | 119.6° |
| C19 | N18 | C17 | 122.4° | 121.9° |
| N18 | C19 | H13 | 119.8° | 119.5° |
| N18 | C17 | H12 | 119.8° | 119.6° |
| H7 | C9 | H8 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | H4 | 179.7° | 180.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.0° | 0.0° |
| C1 | C2 | C3 | H3 | 179.0° | 179.9° |
| C2 | C1 | C6 | H5 | 179.7° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 1.3° | 0.1° |
| C6 | C5 | C4 | C7 | 178.2° | 180.0° |
| C5 | C6 | C1 | H1 | 179.7° | 179.7° |
| C2 | C3 | C4 | C5 | 1.7° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C7 | 178.5° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C7 | 176.8° | 179.9° |
| C5 | C4 | C7 | C9 | 85.6° | 8.5° |
| C5 | C4 | C7 | C10 | 156.8° | 60.1° |
| C5 | C4 | C3 | H3 | 178.3° | 180.0° |
| C4 | C5 | C6 | H5 | 179.6° | 179.9° |
| C5 | C4 | C7 | H6 | 62.4° | 154.2° |
| C3 | C4 | C7 | C9 | 97.6° | 171.4° |
| C3 | C4 | C7 | C10 | 26.4° | 120.0° |
| C4 | C3 | C2 | H2 | 179.0° | 179.9° |
| C3 | C4 | C5 | H4 | 178.7° | 180.0° |
| C3 | C4 | C7 | H6 | 114.4° | 25.7° |
| C4 | C7 | C9 | C10 | 106.7° | 107.4° |
| C4 | C7 | C9 | H6 | 148.0° | 145.0° |
| C4 | C7 | C10 | H6 | 140.9° | 145.0° |
| C4 | C7 | C10 | C12 | 135.1° | 145.0° |
| C7 | C4 | C3 | H3 | 1.5° | 0.1° |
| C7 | C4 | C5 | H4 | 1.8° | 0.1° |
| C4 | C7 | C9 | H7 | 143.7° | 145.1° |
| C4 | C7 | C9 | H8 | 2.8° | 0.0° |
| C4 | C7 | C10 | H9 | 7.0° | 0.0° |
| C9 | C7 | C10 | H6 | 105.5° | 107.5° |
| C7 | C9 | C10 | H7 | 109.5° | 107.5° |
| C7 | C9 | C10 | H8 | 109.5° | 107.5° |
| C9 | C7 | C10 | C12 | 111.2° | 107.4° |
| C7 | C9 | H7 | H8 | 144.6° | 145.7° |
| C9 | C7 | C10 | H9 | 106.7° | 107.5° |
| C7 | C10 | C12 | H9 | 142.0° | 145.7° |
| C7 | C10 | C12 | O13 | 46.4° | 0.1° |
| C7 | C10 | C12 | N14 | 133.6° | 180.0° |
| C9 | C10 | C12 | H9 | 150.0° | 145.7° |
| C9 | C10 | C12 | O13 | 21.6° | 68.6° |
| C9 | C10 | C12 | N14 | 158.4° | 111.4° |
| C10 | C9 | H7 | H8 | 144.6° | 145.6° |
| C10 | C12 | O13 | N14 | 180.0° | 179.9° |
| C10 | C12 | N14 | C15 | 177.5° | 175.3° |
| C12 | C10 | C7 | H6 | 5.7° | 0.0° |
| C12 | C10 | C9 | H7 | 6.3° | 0.0° |
| C12 | C10 | C9 | H8 | 147.2° | 145.0° |
| C10 | C12 | N14 | H10 | 2.5° | 4.7° |
| O13 | C12 | N14 | C15 | 2.5° | 4.6° |
| O13 | C12 | C10 | H9 | 171.6° | 145.7° |
| O13 | C12 | N14 | H10 | 177.5° | 175.3° |
| C12 | N14 | C15 | H10 | 180.0° | 180.0° |
| C12 | N14 | C15 | C20 | 162.6° | 145.1° |
| C12 | N14 | C15 | C16 | 15.2° | 35.2° |
| N14 | C12 | C10 | H9 | 8.4° | 34.2° |
| N14 | C15 | C20 | C16 | 177.9° | 179.7° |
| N14 | C15 | C20 | C19 | 179.3° | 179.7° |
| N14 | C15 | C16 | C17 | 178.8° | 180.0° |
| N14 | C15 | C16 | H11 | 1.2° | 0.0° |
| N14 | C15 | C20 | H14 | 0.7° | 0.0° |
| C15 | C20 | C19 | H14 | 180.0° | 179.7° |
| C20 | C15 | C16 | C17 | 1.0° | 0.2° |
| C15 | C20 | C19 | N18 | 1.0° | 0.6° |
| C20 | C15 | N14 | H10 | 17.4° | 34.9° |
| C20 | C15 | C16 | H11 | 179.0° | 179.7° |
| C15 | C20 | C19 | H13 | 178.9° | 179.7° |
| C16 | C15 | C20 | C19 | 1.3° | 0.5° |
| C15 | C16 | C17 | H11 | 180.0° | 180.0° |
| C15 | C16 | C17 | N18 | 0.4° | 0.1° |
| C16 | C15 | N14 | H10 | 164.8° | 144.8° |
| C15 | C16 | C17 | H12 | 179.6° | 180.0° |
| C16 | C15 | C20 | H14 | 178.7° | 179.7° |
| C20 | C19 | N18 | H13 | 180.0° | 179.8° |
| C20 | C19 | N18 | C17 | 0.4° | 0.3° |
| C16 | C17 | N18 | C19 | 0.1° | 0.1° |
| C16 | C17 | N18 | H12 | 180.0° | 179.9° |
| C19 | N18 | C17 | H12 | 179.9° | 180.0° |
| N18 | C19 | C20 | H14 | 179.0° | 179.7° |
| N18 | C17 | C16 | H11 | 179.6° | 180.0° |
| C17 | N18 | C19 | H13 | 179.6° | 180.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.3° |
| H1 | C1 | C6 | H5 | 0.3° | 0.3° |
| H2 | C2 | C3 | H3 | 1.1° | 0.0° |
| H4 | C5 | C6 | H5 | 0.3° | 0.0° |
| H6 | C7 | C9 | H7 | 4.3° | 0.1° |
| H6 | C7 | C9 | H8 | 145.2° | 145.0° |
| H6 | C7 | C10 | H9 | 147.9° | 145.1° |
| H7 | C9 | C10 | H9 | 143.8° | 145.0° |
| H8 | C9 | C10 | H9 | 2.9° | 0.0° |
| H11 | C16 | C17 | H12 | 0.4° | 0.0° |
| H13 | C19 | C20 | H14 | 1.1° | 0.1° |
