R4P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1D | C1C | doub | 1.38Å | 1.38Å | Aromatic |
| C1D | C1E | sing | 1.38Å | 1.37Å | Aromatic |
| C1C | C1B | sing | 1.39Å | 1.40Å | Aromatic |
| N | N1 | doub | 1.29Å | 1.37Å | Aromatic |
| N | C13 | sing | 1.35Å | 1.38Å | Aromatic |
| C1E | C1F | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C1A | sing | 1.40Å | 1.40Å | Aromatic |
| N1 | N12 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C1B | C1A | sing | 1.48Å | 1.40Å | |
| C1B | C1G | doub | 1.39Å | 1.39Å | Aromatic |
| C1A | C1I | doub | 1.39Å | 1.40Å | Aromatic |
| C1F | C1G | sing | 1.38Å | 1.40Å | Aromatic |
| N12 | C12 | sing | 1.37Å | 1.36Å | Aromatic |
| N12 | C14 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | sing | 1.48Å | 1.38Å | |
| C17 | C1L | doub | 1.39Å | 1.39Å | Aromatic |
| C1G | C1H | sing | 1.51Å | 1.53Å | |
| C16 | C1K | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C1 | doub | 1.41Å | 1.43Å | Aromatic |
| C1I | C1L | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C1K | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.47Å | 1.49Å | |
| C | O1 | doub | 1.22Å | 1.22Å | |
| C | O | sing | 1.35Å | 1.24Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| O | H6 | sing | 0.97Å | 0.95Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C1C | H8 | sing | 1.08Å | 1.08Å | |
| C1D | H9 | sing | 1.08Å | 1.08Å | |
| C1E | H10 | sing | 1.08Å | 1.08Å | |
| C1F | H11 | sing | 1.08Å | 1.08Å | |
| C1H | H12 | sing | 1.09Å | 1.10Å | |
| C1H | H13 | sing | 1.09Å | 1.10Å | |
| C1H | H14 | sing | 1.09Å | 1.10Å | |
| C1I | H15 | sing | 1.08Å | 1.08Å | |
| C1K | H16 | sing | 1.08Å | 1.08Å | |
| C1L | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1C | C1D | C1E | 119.3° | 120.1° |
| C1D | C1C | C1B | 123.1° | 119.9° |
| C1D | C1C | H8 | 118.5° | 120.0° |
| C1C | C1D | H9 | 120.4° | 119.9° |
| C1D | C1E | C1F | 118.6° | 120.2° |
| C1E | C1D | H9 | 120.3° | 119.9° |
| C1D | C1E | H10 | 120.7° | 119.9° |
| C1C | C1B | C1A | 113.1° | 120.1° |
| C1C | C1B | C1G | 117.0° | 119.7° |
| C1B | C1C | H8 | 118.4° | 120.1° |
| N1 | N | C13 | 105.5° | 110.1° |
| N | N1 | N12 | 107.9° | 109.4° |
| N | C13 | C15 | 130.9° | 132.9° |
| N | C13 | C12 | 111.8° | 107.6° |
| C1E | C1F | C1G | 122.6° | 120.2° |
| C1F | C1E | H10 | 120.7° | 119.9° |
| C1E | C1F | H11 | 118.7° | 119.9° |
| C18 | C19 | C1A | 119.8° | 120.0° |
| C19 | C18 | C17 | 120.9° | 120.0° |
| C18 | C19 | H5 | 120.1° | 120.1° |
| C19 | C18 | H7 | 119.5° | 120.0° |
| C19 | C1A | C1B | 121.4° | 120.0° |
| C19 | C1A | C1I | 118.6° | 120.0° |
| C1A | C19 | H5 | 120.1° | 120.0° |
| N1 | N12 | C12 | 109.4° | 106.7° |
| N1 | N12 | C14 | 121.3° | 126.6° |
| C18 | C17 | C16 | 119.9° | 120.0° |
| C18 | C17 | C1L | 120.0° | 120.0° |
| C17 | C18 | H7 | 119.5° | 120.0° |
| C15 | C13 | C12 | 117.3° | 119.5° |
| C13 | C15 | C16 | 124.5° | 120.0° |
| C13 | C15 | H4 | 117.8° | 120.0° |
| C13 | C12 | N12 | 105.5° | 106.2° |
| C13 | C12 | C1 | 117.7° | 120.1° |
| C15 | C16 | C17 | 114.5° | 119.7° |
| C15 | C16 | C1K | 119.5° | 120.5° |
| C16 | C15 | H4 | 117.8° | 120.0° |
| C1A | C1B | C1G | 129.3° | 120.1° |
| C1B | C1A | C1I | 119.4° | 120.0° |
| C1B | C1G | C1F | 119.3° | 119.9° |
| C1B | C1G | C1H | 123.1° | 120.0° |
| C1A | C1I | C1L | 121.6° | 120.0° |
| C1A | C1I | H15 | 119.2° | 120.0° |
| C1F | C1G | C1H | 117.5° | 120.1° |
| C1G | C1F | H11 | 118.7° | 120.0° |
| C12 | N12 | C14 | 129.3° | 126.7° |
| N12 | C12 | C1 | 136.8° | 133.7° |
| N12 | C14 | H1 | 109.5° | 109.5° |
| N12 | C14 | H2 | 109.5° | 109.4° |
| N12 | C14 | H3 | 109.5° | 109.5° |
| C16 | C17 | C1L | 119.9° | 120.1° |
| C17 | C16 | C1K | 125.8° | 119.8° |
| C17 | C1L | C1I | 118.9° | 120.0° |
| C17 | C1L | H17 | 120.5° | 119.9° |
| C1G | C1H | H12 | 109.5° | 109.4° |
| C1G | C1H | H13 | 109.4° | 109.4° |
| C1G | C1H | H14 | 109.5° | 109.5° |
| C16 | C1K | C1 | 116.4° | 120.2° |
| C16 | C1K | H16 | 121.8° | 119.9° |
| C12 | C1 | C1K | 124.6° | 119.7° |
| C12 | C1 | C | 123.5° | 120.2° |
| C1L | C1I | H15 | 119.2° | 120.0° |
| C1I | C1L | H17 | 120.6° | 120.0° |
| C1K | C1 | C | 111.9° | 120.1° |
| C1 | C1K | H16 | 121.8° | 120.0° |
| C1 | C | O1 | 123.1° | 120.0° |
| C1 | C | O | 118.4° | 120.1° |
| O1 | C | O | 118.4° | 120.0° |
| C | O | H6 | 109.5° | 117.0° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H1 | C14 | H3 | 109.4° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H12 | C1H | H13 | 109.5° | 109.5° |
| H12 | C1H | H14 | 109.5° | 109.5° |
| H13 | C1H | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1C | C1D | C1E | H9 | 180.0° | 180.0° |
| C1D | C1C | C1B | H8 | 180.0° | 179.9° |
| C1C | C1D | C1E | C1F | 0.4° | 0.0° |
| C1D | C1C | C1B | C1A | 176.1° | 180.0° |
| C1D | C1C | C1B | C1G | 4.4° | 0.3° |
| C1C | C1D | C1E | H10 | 179.6° | 179.9° |
| C1E | C1D | C1C | C1B | 2.4° | 0.0° |
| C1D | C1E | C1F | H10 | 180.0° | 180.0° |
| C1D | C1E | C1F | C1G | 0.5° | 0.3° |
| C1E | C1D | C1C | H8 | 177.6° | 180.0° |
| C1D | C1E | C1F | H11 | 179.5° | 180.0° |
| C1C | C1B | C1A | C19 | 45.7° | 49.7° |
| C1C | C1B | C1A | C1G | 170.5° | 179.7° |
| C1C | C1B | C1A | C1I | 124.8° | 130.6° |
| C1C | C1B | C1G | C1F | 4.3° | 0.6° |
| C1C | C1B | C1G | C1H | 179.0° | 179.7° |
| C1B | C1C | C1D | H9 | 177.6° | 180.0° |
| N1 | N | C13 | C15 | 179.7° | 179.9° |
| N1 | N | C13 | C12 | 1.2° | 0.4° |
| N | N1 | N12 | C12 | 0.8° | 0.2° |
| N | N1 | N12 | C14 | 179.4° | 179.8° |
| C13 | N | N1 | N12 | 1.2° | 0.3° |
| N | C13 | C15 | C12 | 178.4° | 179.8° |
| N | C13 | C15 | C16 | 179.8° | 180.0° |
| N | C13 | C12 | N12 | 0.8° | 0.2° |
| N | C13 | C12 | C1 | 179.0° | 179.8° |
| N | C13 | C15 | H4 | 0.2° | 0.2° |
| C1E | C1F | C1G | C1B | 2.5° | 0.5° |
| C1E | C1F | C1G | H11 | 180.0° | 179.7° |
| C1E | C1F | C1G | C1H | 179.4° | 179.7° |
| C1F | C1E | C1D | H9 | 179.6° | 180.0° |
| C18 | C19 | C1A | H5 | 180.0° | 180.0° |
| C19 | C18 | C17 | H7 | 180.0° | 180.0° |
| C18 | C19 | C1A | C1B | 173.8° | 180.0° |
| C18 | C19 | C1A | C1I | 3.1° | 0.3° |
| C19 | C18 | C17 | C16 | 177.0° | 180.0° |
| C19 | C18 | C17 | C1L | 2.4° | 0.2° |
| C1A | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C1A | C1B | C1I | 170.6° | 179.7° |
| C19 | C1A | C1B | C1G | 143.8° | 130.0° |
| C19 | C1A | C1I | C1L | 3.6° | 0.3° |
| C1A | C19 | C18 | H7 | 179.8° | 180.0° |
| C19 | C1A | C1I | H15 | 176.5° | 180.0° |
| N1 | N12 | C12 | C13 | 0.0° | 0.1° |
| N1 | N12 | C12 | C14 | 178.4° | 180.0° |
| N1 | N12 | C12 | C1 | 179.8° | 179.9° |
| N1 | N12 | C14 | H1 | 0.0° | 96.1° |
| N1 | N12 | C14 | H2 | 120.0° | 143.9° |
| N1 | N12 | C14 | H3 | 120.0° | 23.9° |
| C18 | C17 | C16 | C15 | 38.2° | 179.7° |
| C18 | C17 | C16 | C1L | 174.7° | 179.8° |
| C18 | C17 | C16 | C1K | 146.8° | 0.7° |
| C18 | C17 | C1L | C1I | 2.0° | 0.2° |
| C17 | C18 | C19 | H5 | 179.7° | 180.0° |
| C18 | C17 | C1L | H17 | 178.0° | 179.7° |
| C13 | C15 | C16 | H4 | 180.0° | 179.8° |
| C15 | C13 | C12 | N12 | 179.5° | 179.9° |
| C13 | C15 | C16 | C17 | 177.6° | 180.0° |
| C13 | C15 | C16 | C1K | 2.3° | 0.5° |
| C15 | C13 | C12 | C1 | 0.3° | 0.0° |
| C12 | C13 | C15 | C16 | 1.4° | 0.3° |
| C13 | C12 | N12 | C1 | 179.7° | 179.9° |
| C13 | C12 | N12 | C14 | 178.5° | 180.0° |
| C13 | C12 | C1 | C1K | 0.2° | 0.0° |
| C13 | C12 | C1 | C | 180.0° | 179.7° |
| C12 | C13 | C15 | H4 | 178.6° | 180.0° |
| C15 | C16 | C17 | C1K | 175.0° | 179.5° |
| C15 | C16 | C17 | C1L | 136.5° | 0.0° |
| C15 | C16 | C1K | C1 | 1.9° | 0.5° |
| C15 | C16 | C1K | H16 | 178.1° | 179.5° |
| C1A | C1B | C1G | C1F | 174.4° | 179.7° |
| C1A | C1B | C1G | C1H | 8.9° | 0.0° |
| C1B | C1A | C1I | C1L | 174.4° | 180.0° |
| C1B | C1A | C19 | H5 | 6.2° | 0.0° |
| C1A | C1B | C1C | H8 | 3.9° | 0.1° |
| C1B | C1A | C1I | H15 | 5.7° | 0.3° |
| C1G | C1B | C1A | C1I | 45.6° | 49.7° |
| C1B | C1G | C1F | C1H | 176.9° | 179.7° |
| C1G | C1B | C1C | H8 | 175.6° | 179.8° |
| C1B | C1G | C1F | H11 | 177.4° | 179.7° |
| C1B | C1G | C1H | H12 | 88.2° | 90.0° |
| C1B | C1G | C1H | H13 | 151.8° | 150.0° |
| C1B | C1G | C1H | H14 | 31.8° | 30.0° |
| C1A | C1I | C1L | C17 | 1.0° | 0.0° |
| C1A | C1I | C1L | H15 | 180.0° | 179.7° |
| C1I | C1A | C19 | H5 | 176.9° | 179.7° |
| C1A | C1I | C1L | H17 | 179.0° | 180.0° |
| C1G | C1F | C1E | H10 | 179.5° | 179.7° |
| C1F | C1G | C1H | H12 | 88.5° | 89.7° |
| C1F | C1G | C1H | H13 | 31.5° | 30.3° |
| C1F | C1G | C1H | H14 | 151.5° | 150.3° |
| N12 | C12 | C1 | C1K | 179.5° | 179.9° |
| N12 | C12 | C1 | C | 0.3° | 0.4° |
| C12 | N12 | C14 | H1 | 178.3° | 83.9° |
| C12 | N12 | C14 | H2 | 58.3° | 36.1° |
| C12 | N12 | C14 | H3 | 61.7° | 156.0° |
| C14 | N12 | C12 | C1 | 1.8° | 0.1° |
| N12 | C14 | H1 | H2 | 120.0° | 119.9° |
| N12 | C14 | H1 | H3 | 120.0° | 120.0° |
| N12 | C14 | H2 | H3 | 120.0° | 120.0° |
| C16 | C17 | C1L | C1I | 176.6° | 180.0° |
| C17 | C16 | C1K | C1 | 176.7° | 180.0° |
| C17 | C16 | C15 | H4 | 2.4° | 0.2° |
| C16 | C17 | C18 | H7 | 3.0° | 0.0° |
| C17 | C16 | C1K | H16 | 3.3° | 0.0° |
| C16 | C17 | C1L | H17 | 3.4° | 0.0° |
| C1L | C17 | C16 | C1K | 38.5° | 179.5° |
| C17 | C1L | C1I | H17 | 180.0° | 180.0° |
| C1L | C17 | C18 | H7 | 177.6° | 179.7° |
| C17 | C1L | C1I | H15 | 179.0° | 179.8° |
| C1H | C1G | C1F | H11 | 0.6° | 0.0° |
| C1G | C1H | H12 | H13 | 120.0° | 119.9° |
| C1G | C1H | H12 | H14 | 120.0° | 120.0° |
| C1G | C1H | H13 | H14 | 120.0° | 120.0° |
| C16 | C1K | C1 | C12 | 1.0° | 0.3° |
| C16 | C1K | C1 | H16 | 180.0° | 180.0° |
| C16 | C1K | C1 | C | 179.1° | 179.9° |
| C1K | C16 | C15 | H4 | 177.7° | 179.8° |
| C12 | C1 | C1K | C | 179.9° | 179.7° |
| C12 | C1 | C | O1 | 6.5° | 41.0° |
| C12 | C1 | C | O | 172.9° | 139.1° |
| C12 | C1 | C1K | H16 | 179.0° | 179.7° |
| C1K | C1 | C | O1 | 173.6° | 139.4° |
| C1K | C1 | C | O | 7.0° | 40.6° |
| C1 | C | O1 | O | 179.3° | 179.9° |
| C1 | C | O | H6 | 179.3° | 180.0° |
| C | C1 | C1K | H16 | 0.9° | 0.0° |
| O1 | C | O | H6 | 0.0° | 0.1° |
| H1 | C14 | H2 | H3 | 120.0° | 120.1° |
| H5 | C19 | C18 | H7 | 0.2° | 0.0° |
| H8 | C1C | C1D | H9 | 2.4° | 0.1° |
| H9 | C1D | C1E | H10 | 0.4° | 0.0° |
| H10 | C1E | C1F | H11 | 0.5° | 0.1° |
| H12 | C1H | H13 | H14 | 120.0° | 120.0° |
| H15 | C1I | C1L | H17 | 1.0° | 0.3° |
