5W4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | N | sing | 1.47Å | 1.46Å | |
| C9 | N | sing | 1.47Å | 1.43Å | |
| C9 | C16 | sing | 1.51Å | 1.50Å | |
| N | C7 | sing | 1.34Å | 1.39Å | |
| C19 | C18 | sing | 1.51Å | 1.48Å | |
| C16 | C17 | doub | 1.37Å | 1.39Å | Aromatic |
| C16 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | O1 | sing | 1.34Å | 1.34Å | Aromatic |
| C18 | C2 | doub | 1.37Å | 1.36Å | Aromatic |
| C7 | C6 | sing | 1.47Å | 1.48Å | |
| C7 | O | doub | 1.22Å | 1.21Å | |
| O1 | N1 | sing | 1.21Å | 1.44Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.48Å | 1.48Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.43Å | 1.40Å | Aromatic |
| N1 | C1 | doub | 1.30Å | 1.30Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 120.3° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C13 | C14 | H2 | 119.8° | 119.9° |
| C14 | C13 | H10 | 120.2° | 120.0° |
| C14 | C15 | C10 | 120.4° | 120.0° |
| C15 | C14 | H2 | 119.9° | 120.0° |
| C14 | C15 | H11 | 119.8° | 120.0° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C13 | C12 | H9 | 119.9° | 120.0° |
| C12 | C13 | H10 | 120.2° | 120.0° |
| C15 | C10 | C11 | 118.8° | 120.0° |
| C15 | C10 | C9 | 123.0° | 120.0° |
| C10 | C15 | H11 | 119.8° | 120.0° |
| C12 | C11 | C10 | 120.6° | 120.0° |
| C12 | C11 | H4 | 119.7° | 120.0° |
| C11 | C12 | H9 | 119.9° | 120.0° |
| C11 | C10 | C9 | 118.2° | 120.0° |
| C10 | C11 | H4 | 119.7° | 120.0° |
| C10 | C9 | N | 120.4° | 110.1° |
| C10 | C9 | C16 | 117.5° | 110.1° |
| C10 | C9 | H8 | 104.5° | 110.1° |
| C8 | N | C9 | 123.0° | 125.6° |
| C8 | N | C7 | 124.2° | 125.6° |
| N | C8 | H5 | 109.5° | 109.5° |
| N | C8 | H6 | 109.5° | 109.5° |
| N | C8 | H7 | 109.5° | 109.5° |
| N | C9 | C16 | 103.0° | 106.2° |
| C9 | N | C7 | 112.8° | 108.8° |
| N | C9 | H8 | 105.3° | 110.1° |
| C9 | C16 | C17 | 130.4° | 133.1° |
| C9 | C16 | C6 | 108.6° | 106.4° |
| C16 | C9 | H8 | 104.6° | 110.1° |
| N | C7 | C6 | 104.7° | 110.3° |
| N | C7 | O | 126.2° | 124.9° |
| C19 | C18 | O1 | 117.2° | 126.9° |
| C19 | C18 | C2 | 133.6° | 126.9° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | C19 | H14 | 109.4° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C17 | C16 | C6 | 120.7° | 120.5° |
| C16 | C17 | C3 | 120.1° | 119.8° |
| C16 | C17 | H12 | 119.9° | 120.1° |
| C16 | C6 | C7 | 109.3° | 108.3° |
| C16 | C6 | C5 | 120.0° | 119.6° |
| C17 | C3 | C2 | 119.7° | 120.0° |
| C17 | C3 | C4 | 119.0° | 120.0° |
| C3 | C17 | H12 | 120.0° | 120.1° |
| O1 | C18 | C2 | 109.0° | 106.3° |
| C18 | O1 | N1 | 107.9° | 111.9° |
| C18 | C2 | C3 | 126.0° | 128.2° |
| C18 | C2 | C1 | 106.3° | 103.6° |
| C6 | C7 | O | 129.1° | 124.8° |
| C7 | C6 | C5 | 130.7° | 132.2° |
| O1 | N1 | C1 | 105.9° | 112.0° |
| C6 | C5 | C4 | 119.6° | 120.0° |
| C6 | C5 | H3 | 120.2° | 120.0° |
| C2 | C3 | C4 | 121.3° | 120.0° |
| C3 | C2 | C1 | 127.6° | 128.2° |
| C3 | C4 | C5 | 120.5° | 120.2° |
| C3 | C4 | H1 | 119.7° | 119.9° |
| C2 | C1 | N1 | 110.9° | 106.2° |
| C2 | C1 | C | 128.7° | 126.9° |
| N1 | C1 | C | 120.5° | 126.9° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.4° | 109.5° |
| C1 | C | H18 | 109.4° | 109.5° |
| C5 | C4 | H1 | 119.7° | 120.0° |
| C4 | C5 | H3 | 120.2° | 120.0° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H7 | 109.4° | 109.4° |
| H6 | C8 | H7 | 109.4° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.4° |
| H13 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.4° |
| H16 | C | H17 | 109.5° | 109.5° |
| H16 | C | H18 | 109.5° | 109.4° |
| H17 | C | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H2 | 180.0° | 179.7° |
| C14 | C13 | C12 | H10 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 0.0° | 0.0° |
| C14 | C13 | C12 | C11 | 1.9° | 0.0° |
| C14 | C13 | C12 | H9 | 178.1° | 180.0° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.7° | 0.0° |
| C14 | C15 | C10 | H11 | 180.0° | 180.0° |
| C14 | C15 | C10 | C11 | 1.5° | 0.0° |
| C14 | C15 | C10 | C9 | 179.3° | 180.0° |
| C15 | C14 | C13 | H10 | 178.3° | 180.0° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C12 | C13 | C14 | H2 | 178.3° | 179.7° |
| C13 | C12 | C11 | H4 | 179.5° | 180.0° |
| C15 | C10 | C11 | C12 | 1.2° | 0.0° |
| C15 | C10 | C11 | C9 | 179.3° | 180.0° |
| C15 | C10 | C9 | N | 122.3° | 38.5° |
| C15 | C10 | C9 | C16 | 110.9° | 78.2° |
| C10 | C15 | C14 | H2 | 179.9° | 179.7° |
| C15 | C10 | C11 | H4 | 178.8° | 180.0° |
| C15 | C10 | C9 | H8 | 4.4° | 160.2° |
| C12 | C11 | C10 | H4 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 179.5° | 180.0° |
| C11 | C12 | C13 | H10 | 178.1° | 180.0° |
| C11 | C10 | C9 | N | 57.0° | 141.5° |
| C11 | C10 | C9 | C16 | 69.8° | 101.8° |
| C11 | C10 | C9 | H8 | 174.9° | 19.8° |
| C10 | C11 | C12 | H9 | 179.5° | 180.0° |
| C11 | C10 | C15 | H11 | 178.5° | 180.0° |
| C10 | C9 | N | C8 | 59.0° | 60.8° |
| C10 | C9 | N | C16 | 133.2° | 119.2° |
| C10 | C9 | N | H8 | 117.5° | 121.7° |
| C10 | C9 | C16 | H8 | 115.3° | 121.6° |
| C10 | C9 | N | C7 | 120.3° | 119.2° |
| C10 | C9 | C16 | C17 | 51.2° | 60.4° |
| C10 | C9 | C16 | C6 | 122.6° | 119.2° |
| C9 | C10 | C11 | H4 | 0.5° | 0.0° |
| C9 | C10 | C15 | H11 | 0.7° | 0.0° |
| C8 | N | C9 | C7 | 179.3° | 180.0° |
| C8 | N | C9 | C16 | 167.8° | 180.0° |
| C8 | N | C7 | C6 | 172.1° | 180.0° |
| C8 | N | C7 | O | 9.6° | 0.0° |
| N | C8 | H5 | H6 | 120.0° | 120.0° |
| N | C8 | H5 | H7 | 120.0° | 120.0° |
| N | C8 | H6 | H7 | 120.0° | 120.0° |
| C8 | N | C9 | H8 | 58.5° | 60.9° |
| N | C9 | C16 | H8 | 109.8° | 119.2° |
| N | C9 | C16 | C17 | 173.9° | 179.6° |
| N | C9 | C16 | C6 | 12.2° | 0.0° |
| C9 | N | C7 | C6 | 8.6° | 0.0° |
| C9 | N | C7 | O | 169.7° | 180.0° |
| C9 | N | C8 | H5 | 180.0° | 90.0° |
| C9 | N | C8 | H6 | 60.0° | 150.0° |
| C9 | N | C8 | H7 | 60.0° | 30.0° |
| C16 | C9 | N | C7 | 12.8° | 0.0° |
| C9 | C16 | C17 | C6 | 173.2° | 179.5° |
| C9 | C16 | C17 | C3 | 170.8° | 179.9° |
| C9 | C16 | C6 | C7 | 7.7° | 0.0° |
| C9 | C16 | C6 | C5 | 172.4° | 180.0° |
| C9 | C16 | C17 | H12 | 9.2° | 0.1° |
| N | C7 | C6 | C16 | 0.2° | 0.0° |
| N | C7 | C6 | O | 178.2° | 180.0° |
| N | C7 | C6 | C5 | 179.8° | 180.0° |
| C7 | N | C8 | H5 | 0.8° | 90.0° |
| C7 | N | C8 | H6 | 119.3° | 30.0° |
| C7 | N | C8 | H7 | 120.7° | 150.0° |
| C7 | N | C9 | H8 | 122.2° | 119.2° |
| C19 | C18 | O1 | C2 | 176.0° | 180.0° |
| C19 | C18 | O1 | N1 | 175.7° | 180.0° |
| C19 | C18 | C2 | C3 | 1.8° | 0.0° |
| C19 | C18 | C2 | C1 | 175.5° | 180.0° |
| C18 | C19 | H13 | H14 | 120.0° | 120.0° |
| C18 | C19 | H13 | H15 | 120.0° | 120.1° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C16 | C17 | C3 | H12 | 180.0° | 180.0° |
| C17 | C16 | C6 | C7 | 177.8° | 179.6° |
| C17 | C16 | C6 | C5 | 2.2° | 0.3° |
| C16 | C17 | C3 | C2 | 178.9° | 180.0° |
| C16 | C17 | C3 | C4 | 0.7° | 0.1° |
| C17 | C16 | C9 | H8 | 64.1° | 61.2° |
| C6 | C16 | C17 | C3 | 2.4° | 0.4° |
| C16 | C6 | C7 | C5 | 180.0° | 180.0° |
| C16 | C6 | C7 | O | 178.0° | 180.0° |
| C16 | C6 | C5 | C4 | 0.1° | 0.0° |
| C16 | C6 | C5 | H3 | 179.9° | 180.0° |
| C6 | C16 | C9 | H8 | 122.1° | 119.2° |
| C6 | C16 | C17 | H12 | 177.6° | 179.6° |
| C17 | C3 | C2 | C18 | 46.1° | 64.9° |
| C17 | C3 | C2 | C4 | 179.6° | 179.9° |
| C17 | C3 | C2 | C1 | 130.6° | 115.0° |
| C17 | C3 | C4 | C5 | 1.4° | 0.2° |
| C17 | C3 | C4 | H1 | 178.7° | 180.0° |
| O1 | C18 | C2 | C3 | 176.9° | 180.0° |
| O1 | C18 | C2 | C1 | 0.4° | 0.0° |
| C18 | O1 | N1 | C1 | 0.9° | 0.0° |
| O1 | C18 | C19 | H13 | 0.0° | 0.0° |
| O1 | C18 | C19 | H14 | 120.0° | 120.0° |
| O1 | C18 | C19 | H15 | 120.0° | 120.1° |
| C2 | C18 | O1 | N1 | 0.3° | 0.0° |
| C18 | C2 | C3 | C1 | 176.7° | 180.0° |
| C18 | C2 | C3 | C4 | 134.3° | 115.0° |
| C18 | C2 | C1 | N1 | 1.1° | 0.0° |
| C18 | C2 | C1 | C | 179.6° | 180.0° |
| C2 | C18 | C19 | H13 | 174.7° | 180.0° |
| C2 | C18 | C19 | H14 | 65.2° | 60.0° |
| C2 | C18 | C19 | H15 | 54.7° | 60.0° |
| C7 | C6 | C5 | C4 | 179.8° | 179.9° |
| C7 | C6 | C5 | H3 | 0.2° | 0.0° |
| O | C7 | C6 | C5 | 2.0° | 0.0° |
| O1 | N1 | C1 | C2 | 1.2° | 0.0° |
| O1 | N1 | C1 | C | 179.4° | 180.0° |
| C6 | C5 | C4 | C3 | 1.6° | 0.2° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | H1 | 178.4° | 180.0° |
| C3 | C2 | C1 | N1 | 176.2° | 180.0° |
| C3 | C2 | C1 | C | 3.2° | 0.1° |
| C2 | C3 | C4 | C5 | 179.1° | 179.7° |
| C2 | C3 | C4 | H1 | 0.9° | 0.1° |
| C2 | C3 | C17 | H12 | 1.1° | 0.0° |
| C4 | C3 | C2 | C1 | 49.0° | 65.1° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | H3 | 178.4° | 179.7° |
| C4 | C3 | C17 | H12 | 179.4° | 179.9° |
| C2 | C1 | N1 | C | 179.4° | 180.0° |
| C2 | C1 | C | H16 | 179.3° | 90.0° |
| C2 | C1 | C | H17 | 59.3° | 30.1° |
| C2 | C1 | C | H18 | 60.7° | 150.1° |
| N1 | C1 | C | H16 | 0.0° | 90.0° |
| N1 | C1 | C | H17 | 120.0° | 149.9° |
| N1 | C1 | C | H18 | 120.0° | 30.0° |
| C1 | C | H16 | H17 | 120.0° | 120.1° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| H1 | C4 | C5 | H3 | 1.6° | 0.0° |
| H2 | C14 | C13 | H10 | 1.6° | 0.3° |
| H2 | C14 | C15 | H11 | 0.0° | 0.3° |
| H4 | C11 | C12 | H9 | 0.5° | 0.0° |
| H5 | C8 | H6 | H7 | 119.9° | 120.0° |
| H9 | C12 | C13 | H10 | 1.9° | 0.0° |
| H13 | C19 | H14 | H15 | 120.0° | 120.0° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
