4EP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C16 | sing | 1.36Å | 1.36Å | |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C14 | O2 | sing | 1.36Å | 1.37Å | |
| C14 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.44Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N1 | sing | 1.39Å | 1.40Å | |
| C13 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| N1 | C7 | sing | 1.35Å | 1.42Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N2 | sing | 1.39Å | 1.39Å | |
| C7 | O1 | doub | 1.22Å | 1.22Å | |
| C7 | N2 | sing | 1.35Å | 1.37Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C16 | C15 | 119.4° | 120.0° |
| O3 | C16 | C4 | 119.4° | 120.0° |
| C16 | O3 | H16 | 109.5° | 113.9° |
| C15 | C16 | C4 | 121.2° | 120.0° |
| C16 | C15 | C14 | 120.1° | 120.0° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C16 | C4 | C3 | 125.9° | 119.9° |
| C16 | C4 | C5 | 118.3° | 120.1° |
| C4 | C3 | C2 | 114.7° | 109.4° |
| C3 | C4 | C5 | 115.7° | 120.0° |
| C4 | C3 | H6 | 108.2° | 109.5° |
| C4 | C3 | H7 | 108.2° | 109.4° |
| C3 | C2 | C1 | 116.8° | 109.4° |
| C2 | C3 | H6 | 108.1° | 109.4° |
| C2 | C3 | H7 | 108.2° | 109.5° |
| C3 | C2 | H5 | 107.6° | 109.5° |
| C3 | C2 | H4 | 107.6° | 109.5° |
| C15 | C14 | O2 | 120.8° | 120.0° |
| C15 | C14 | C6 | 119.0° | 119.9° |
| C14 | C15 | H15 | 120.0° | 120.1° |
| C4 | C5 | C6 | 120.8° | 120.1° |
| C4 | C5 | H8 | 119.6° | 119.9° |
| C1 | C2 | H5 | 107.6° | 109.5° |
| C1 | C2 | H4 | 107.6° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| O2 | C14 | C6 | 120.2° | 120.0° |
| C14 | O2 | H14 | 109.5° | 114.0° |
| C14 | C6 | C5 | 120.7° | 119.9° |
| C14 | C6 | N1 | 120.8° | 120.0° |
| C5 | C6 | N1 | 118.4° | 120.1° |
| C6 | C5 | H8 | 119.6° | 120.0° |
| C6 | N1 | C13 | 127.4° | 125.8° |
| C6 | N1 | C7 | 125.1° | 125.8° |
| C11 | C12 | C13 | 117.9° | 119.9° |
| C12 | C11 | C10 | 120.8° | 120.3° |
| C11 | C12 | H13 | 121.0° | 120.1° |
| C12 | C11 | H12 | 119.6° | 119.9° |
| C12 | C13 | N1 | 130.5° | 133.4° |
| C12 | C13 | C8 | 121.3° | 119.9° |
| C13 | C12 | H13 | 121.1° | 120.0° |
| C11 | C10 | C9 | 121.1° | 120.3° |
| C10 | C11 | H12 | 119.6° | 119.9° |
| C11 | C10 | H11 | 119.4° | 119.8° |
| N1 | C13 | C8 | 108.1° | 106.7° |
| C13 | N1 | C7 | 107.5° | 108.4° |
| C13 | C8 | C9 | 120.7° | 119.8° |
| C13 | C8 | N2 | 107.1° | 106.8° |
| N1 | C7 | O1 | 125.4° | 125.2° |
| N1 | C7 | N2 | 107.0° | 109.7° |
| C10 | C9 | C8 | 118.1° | 119.8° |
| C9 | C10 | H11 | 119.5° | 119.8° |
| C10 | C9 | H10 | 120.9° | 120.1° |
| C9 | C8 | N2 | 132.2° | 133.3° |
| C8 | C9 | H10 | 121.0° | 120.1° |
| C8 | N2 | C7 | 110.2° | 108.4° |
| C8 | N2 | H9 | 124.9° | 125.8° |
| O1 | C7 | N2 | 127.6° | 125.2° |
| C7 | N2 | H9 | 124.9° | 125.8° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H5 | C2 | H4 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C16 | C15 | C4 | 178.2° | 179.7° |
| O3 | C16 | C4 | C3 | 8.4° | 0.3° |
| O3 | C16 | C15 | C14 | 176.3° | 180.0° |
| O3 | C16 | C4 | C5 | 176.2° | 180.0° |
| O3 | C16 | C15 | H15 | 3.7° | 0.0° |
| C15 | C16 | C4 | C3 | 173.4° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C15 | C16 | C4 | C5 | 2.0° | 0.3° |
| C16 | C15 | C14 | O2 | 179.2° | 180.0° |
| C16 | C15 | C14 | C6 | 0.1° | 0.0° |
| C15 | C16 | O3 | H16 | 180.0° | 90.1° |
| C16 | C4 | C3 | C5 | 175.5° | 179.7° |
| C16 | C4 | C3 | C2 | 97.1° | 80.0° |
| C4 | C16 | C15 | C14 | 1.9° | 0.3° |
| C16 | C4 | C5 | C6 | 0.2° | 0.0° |
| C16 | C4 | C5 | H8 | 179.8° | 180.0° |
| C4 | C16 | C15 | H15 | 178.1° | 179.7° |
| C4 | C16 | O3 | H16 | 1.8° | 90.2° |
| C16 | C4 | C3 | H6 | 142.1° | 39.9° |
| C16 | C4 | C3 | H7 | 23.6° | 160.0° |
| C4 | C3 | C2 | H6 | 120.8° | 120.0° |
| C4 | C3 | C2 | H7 | 120.7° | 120.0° |
| C4 | C3 | C2 | C1 | 30.8° | 180.0° |
| C3 | C4 | C5 | C6 | 175.6° | 179.7° |
| C3 | C4 | C5 | H8 | 4.4° | 0.3° |
| C4 | C3 | H6 | H7 | 117.6° | 120.0° |
| C4 | C3 | C2 | H5 | 90.3° | 60.0° |
| C4 | C3 | C2 | H4 | 151.8° | 60.0° |
| C2 | C3 | C4 | C5 | 78.3° | 100.3° |
| C3 | C2 | C1 | H5 | 121.1° | 120.0° |
| C3 | C2 | C1 | H4 | 121.1° | 120.0° |
| C2 | C3 | H6 | H7 | 117.6° | 120.1° |
| C3 | C2 | H5 | H4 | 116.7° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C15 | C14 | O2 | C6 | 179.1° | 180.0° |
| C15 | C14 | C6 | C5 | 1.9° | 0.2° |
| C15 | C14 | C6 | N1 | 175.6° | 180.0° |
| C15 | C14 | O2 | H14 | 180.0° | 90.0° |
| C4 | C5 | C6 | C14 | 1.7° | 0.2° |
| C4 | C5 | C6 | H8 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 175.8° | 180.0° |
| C5 | C4 | C3 | H6 | 42.4° | 139.7° |
| C5 | C4 | C3 | H7 | 160.9° | 19.7° |
| C1 | C2 | C3 | H6 | 151.5° | 60.0° |
| C1 | C2 | C3 | H7 | 90.0° | 60.0° |
| C1 | C2 | H5 | H4 | 116.7° | 120.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 119.9° | 120.0° |
| O2 | C14 | C6 | C5 | 179.0° | 179.8° |
| O2 | C14 | C6 | N1 | 3.5° | 0.0° |
| O2 | C14 | C15 | H15 | 0.8° | 0.0° |
| C14 | C6 | C5 | N1 | 177.5° | 179.8° |
| C14 | C6 | N1 | C13 | 112.8° | 90.3° |
| C14 | C6 | N1 | C7 | 68.3° | 89.3° |
| C14 | C6 | C5 | H8 | 178.2° | 179.7° |
| C6 | C14 | O2 | H14 | 0.9° | 90.0° |
| C6 | C14 | C15 | H15 | 179.9° | 180.0° |
| C5 | C6 | N1 | C13 | 64.7° | 89.9° |
| C5 | C6 | N1 | C7 | 114.2° | 90.5° |
| C6 | N1 | C13 | C12 | 3.9° | 0.3° |
| C6 | N1 | C13 | C7 | 179.0° | 179.7° |
| C6 | N1 | C13 | C8 | 179.1° | 180.0° |
| C6 | N1 | C7 | O1 | 0.9° | 0.2° |
| C6 | N1 | C7 | N2 | 178.8° | 179.9° |
| N1 | C6 | C5 | H8 | 4.2° | 0.0° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| C12 | C11 | C10 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | N1 | 175.2° | 179.9° |
| C11 | C12 | C13 | C8 | 1.5° | 0.4° |
| C12 | C11 | C10 | C9 | 1.4° | 0.8° |
| C12 | C11 | C10 | H11 | 178.6° | 180.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C12 | C13 | N1 | C8 | 177.0° | 179.7° |
| C12 | C13 | N1 | C7 | 177.1° | 179.9° |
| C12 | C13 | C8 | C9 | 0.5° | 0.0° |
| C12 | C13 | C8 | N2 | 177.7° | 180.0° |
| C13 | C12 | C11 | H12 | 179.5° | 180.0° |
| C11 | C10 | C9 | H11 | 180.0° | 179.2° |
| C11 | C10 | C9 | C8 | 2.3° | 1.2° |
| C10 | C11 | C12 | H13 | 179.5° | 180.0° |
| C11 | C10 | C9 | H10 | 177.7° | 179.6° |
| N1 | C13 | C8 | C9 | 176.8° | 179.8° |
| N1 | C13 | C8 | N2 | 0.3° | 0.2° |
| C13 | N1 | C7 | O1 | 179.9° | 179.9° |
| C13 | N1 | C7 | N2 | 0.2° | 0.4° |
| N1 | C13 | C12 | H13 | 4.8° | 0.1° |
| C8 | C13 | N1 | C7 | 0.1° | 0.4° |
| C13 | C8 | C9 | C10 | 1.4° | 0.8° |
| C13 | C8 | C9 | N2 | 176.3° | 179.9° |
| C13 | C8 | N2 | C7 | 0.5° | 0.1° |
| C13 | C8 | N2 | H9 | 179.5° | 180.0° |
| C8 | C13 | C12 | H13 | 178.6° | 179.6° |
| C13 | C8 | C9 | H10 | 178.6° | 180.0° |
| N1 | C7 | N2 | C8 | 0.5° | 0.3° |
| N1 | C7 | O1 | N2 | 179.6° | 179.7° |
| N1 | C7 | N2 | H9 | 179.6° | 179.8° |
| C10 | C9 | C8 | H10 | 180.0° | 179.3° |
| C10 | C9 | C8 | N2 | 174.9° | 179.3° |
| C9 | C10 | C11 | H12 | 178.6° | 179.2° |
| C9 | C8 | N2 | C7 | 176.2° | 180.0° |
| C9 | C8 | N2 | H9 | 3.8° | 0.1° |
| C8 | C9 | C10 | H11 | 177.7° | 179.6° |
| C8 | N2 | C7 | O1 | 179.8° | 180.0° |
| C8 | N2 | C7 | H9 | 180.0° | 179.9° |
| N2 | C8 | C9 | H10 | 5.1° | 0.0° |
| O1 | C7 | N2 | H9 | 0.1° | 0.1° |
| H13 | C12 | C11 | H12 | 0.5° | 0.0° |
| H12 | C11 | C10 | H11 | 1.4° | 0.0° |
| H11 | C10 | C9 | H10 | 2.3° | 0.4° |
| H6 | C3 | C2 | H5 | 30.5° | 180.0° |
| H6 | C3 | C2 | H4 | 87.4° | 60.0° |
| H7 | C3 | C2 | H5 | 149.0° | 60.0° |
| H7 | C3 | C2 | H4 | 31.1° | 180.0° |
| H5 | C2 | C1 | H1 | 58.9° | 60.0° |
| H5 | C2 | C1 | H2 | 179.0° | 60.0° |
| H5 | C2 | C1 | H3 | 61.1° | 180.0° |
| H4 | C2 | C1 | H1 | 59.0° | 180.0° |
| H4 | C2 | C1 | H2 | 61.1° | 60.0° |
| H4 | C2 | C1 | H3 | 178.9° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
