6Z5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C22 | sing | 1.36Å | 1.38Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | doub | 1.40Å | 1.37Å | Aromatic |
| C19 | C18 | doub | 1.32Å | 1.52Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C17 | sing | 1.51Å | 1.48Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| C11 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | N12 | sing | 1.46Å | 1.46Å | |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N5 | sing | 1.40Å | 1.42Å | |
| N12 | C4 | sing | 1.38Å | 1.40Å | |
| N12 | C13 | sing | 1.34Å | 1.38Å | |
| N3 | C4 | doub | 1.33Å | 1.33Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| O | C13 | doub | 1.21Å | 1.22Å | |
| C4 | C | sing | 1.39Å | 1.36Å | Aromatic |
| N5 | C2 | sing | 1.39Å | 1.40Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C2 | N | doub | 1.32Å | 1.34Å | Aromatic |
| C | C14 | sing | 1.51Å | 1.49Å | |
| C | C1 | doub | 1.37Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| N | C1 | sing | 1.33Å | 1.34Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| N5 | H10 | sing | 0.97Å | 1.00Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| O26 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C22 | C23 | 119.1° | 120.1° |
| O26 | C22 | C20 | 121.3° | 120.1° |
| C22 | O26 | H20 | 109.5° | 114.0° |
| C23 | C22 | C20 | 119.5° | 119.8° |
| C22 | C23 | C24 | 120.8° | 120.3° |
| C22 | C23 | H17 | 119.6° | 119.9° |
| C22 | C20 | C19 | 128.3° | 131.9° |
| C22 | C20 | C21 | 119.2° | 119.1° |
| C23 | C24 | C25 | 119.7° | 120.2° |
| C24 | C23 | H17 | 119.6° | 119.8° |
| C23 | C24 | H18 | 120.1° | 119.9° |
| C19 | C20 | C21 | 112.4° | 108.9° |
| C20 | C19 | C18 | 103.0° | 111.1° |
| C20 | C19 | H16 | 128.5° | 124.4° |
| C20 | C21 | C25 | 122.1° | 120.5° |
| C20 | C21 | C17 | 111.7° | 106.3° |
| C19 | C18 | C17 | 108.7° | 108.2° |
| C19 | C18 | H8 | 125.7° | 125.9° |
| C18 | C19 | H16 | 128.5° | 124.5° |
| C10 | C9 | C8 | 120.7° | 120.2° |
| C9 | C10 | C11 | 118.8° | 120.1° |
| C10 | C9 | H2 | 119.6° | 119.9° |
| C9 | C10 | H3 | 120.6° | 120.0° |
| C9 | C8 | C7 | 120.2° | 120.0° |
| C8 | C9 | H2 | 119.7° | 119.9° |
| C9 | C8 | H11 | 119.9° | 119.9° |
| C24 | C25 | C21 | 118.6° | 120.1° |
| C25 | C24 | H18 | 120.2° | 119.9° |
| C24 | C25 | H19 | 120.7° | 120.0° |
| C10 | C11 | C6 | 121.4° | 119.9° |
| C11 | C10 | H3 | 120.6° | 120.0° |
| C10 | C11 | H4 | 119.3° | 120.0° |
| C25 | C21 | C17 | 126.2° | 133.2° |
| C21 | C25 | H19 | 120.7° | 119.9° |
| C21 | C17 | C18 | 103.4° | 105.5° |
| C21 | C17 | N12 | 111.3° | 110.2° |
| C21 | C17 | H15 | 108.2° | 110.2° |
| C8 | C7 | C6 | 119.8° | 119.9° |
| C8 | C7 | H1 | 120.1° | 120.0° |
| C7 | C8 | H11 | 119.9° | 120.0° |
| C18 | C17 | N12 | 117.4° | 110.2° |
| C17 | C18 | H8 | 125.7° | 125.9° |
| C18 | C17 | H15 | 107.6° | 110.2° |
| C11 | C6 | C7 | 119.0° | 119.9° |
| C11 | C6 | N5 | 123.3° | 120.1° |
| C6 | C11 | H4 | 119.3° | 120.1° |
| C17 | N12 | C4 | 124.6° | 123.8° |
| C17 | N12 | C13 | 122.3° | 123.7° |
| N12 | C17 | H15 | 108.5° | 110.3° |
| C7 | C6 | N5 | 117.7° | 120.1° |
| C6 | C7 | H1 | 120.1° | 120.0° |
| C6 | N5 | C2 | 128.0° | 120.0° |
| C6 | N5 | H10 | 116.0° | 120.0° |
| C4 | N12 | C13 | 111.5° | 112.4° |
| N12 | C4 | N3 | 128.3° | 131.6° |
| N12 | C4 | C | 107.7° | 110.2° |
| N12 | C13 | O | 126.6° | 126.5° |
| N12 | C13 | C14 | 107.7° | 107.1° |
| C4 | N3 | C2 | 115.1° | 120.7° |
| N3 | C4 | C | 124.0° | 118.1° |
| N3 | C2 | N5 | 119.0° | 118.9° |
| N3 | C2 | N | 125.5° | 122.1° |
| O | C13 | C14 | 125.6° | 126.4° |
| C4 | C | C14 | 111.4° | 106.3° |
| C4 | C | C1 | 117.1° | 119.7° |
| N5 | C2 | N | 115.5° | 119.0° |
| C2 | N5 | H10 | 116.0° | 120.0° |
| C13 | C14 | C | 101.5° | 103.9° |
| C13 | C14 | C16 | 109.9° | 110.6° |
| C13 | C14 | C15 | 109.8° | 110.5° |
| C2 | N | C1 | 117.3° | 120.6° |
| C14 | C | C1 | 131.5° | 134.0° |
| C | C14 | C16 | 111.5° | 110.6° |
| C | C14 | C15 | 112.8° | 110.5° |
| C | C1 | N | 121.0° | 118.9° |
| C | C1 | H9 | 119.5° | 120.5° |
| C16 | C14 | C15 | 111.0° | 110.6° |
| C14 | C16 | H12 | 109.5° | 109.4° |
| C14 | C16 | H13 | 109.5° | 109.5° |
| C14 | C16 | H14 | 109.5° | 109.5° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C14 | C15 | H6 | 109.4° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| N | C1 | H9 | 119.5° | 120.6° |
| H5 | C15 | H6 | 109.4° | 109.4° |
| H5 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.4° | 109.5° |
| H12 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C22 | C23 | C20 | 179.9° | 179.9° |
| O26 | C22 | C23 | C24 | 179.7° | 179.9° |
| O26 | C22 | C20 | C19 | 0.8° | 0.1° |
| O26 | C22 | C20 | C21 | 179.8° | 179.8° |
| O26 | C22 | C23 | H17 | 0.3° | 0.1° |
| C22 | C23 | C24 | H17 | 180.0° | 180.0° |
| C23 | C22 | C20 | C19 | 179.3° | 180.0° |
| C23 | C22 | C20 | C21 | 0.1° | 0.3° |
| C22 | C23 | C24 | C25 | 0.0° | 0.3° |
| C22 | C23 | C24 | H18 | 180.0° | 180.0° |
| C23 | C22 | O26 | H20 | 180.0° | 90.0° |
| C20 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | C20 | C19 | C21 | 179.4° | 179.7° |
| C22 | C20 | C19 | C18 | 173.9° | 180.0° |
| C22 | C20 | C21 | C25 | 0.1° | 0.3° |
| C22 | C20 | C21 | C17 | 179.5° | 179.8° |
| C22 | C20 | C19 | H16 | 6.1° | 0.4° |
| C20 | C22 | C23 | H17 | 179.8° | 180.0° |
| C20 | C22 | O26 | H20 | 0.2° | 89.9° |
| C23 | C24 | C25 | H18 | 180.0° | 179.7° |
| C23 | C24 | C25 | C21 | 0.2° | 0.3° |
| C23 | C24 | C25 | H19 | 179.8° | 179.7° |
| C20 | C19 | C18 | H16 | 180.0° | 179.7° |
| C19 | C20 | C21 | C25 | 179.6° | 180.0° |
| C19 | C20 | C21 | C17 | 0.0° | 0.4° |
| C20 | C19 | C18 | C17 | 8.7° | 0.0° |
| C20 | C19 | C18 | H8 | 171.2° | 179.7° |
| C21 | C20 | C19 | C18 | 5.5° | 0.3° |
| C20 | C21 | C25 | C24 | 0.3° | 0.0° |
| C20 | C21 | C25 | C17 | 179.6° | 179.4° |
| C20 | C21 | C17 | C18 | 5.5° | 0.4° |
| C20 | C21 | C17 | N12 | 132.5° | 119.4° |
| C20 | C21 | C17 | H15 | 108.4° | 118.6° |
| C21 | C20 | C19 | H16 | 174.5° | 179.9° |
| C20 | C21 | C25 | H19 | 179.7° | 180.0° |
| C19 | C18 | C17 | C21 | 8.8° | 0.2° |
| C19 | C18 | C17 | H8 | 180.0° | 179.7° |
| C19 | C18 | C17 | N12 | 131.8° | 119.2° |
| C19 | C18 | C17 | H15 | 105.6° | 118.7° |
| C10 | C9 | C8 | H2 | 180.0° | 179.8° |
| C9 | C10 | C11 | H3 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 0.3° | 0.1° |
| C9 | C10 | C11 | C6 | 0.4° | 0.6° |
| C9 | C10 | C11 | H4 | 179.6° | 179.9° |
| C10 | C9 | C8 | H11 | 179.7° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.2° |
| C9 | C8 | C7 | H11 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.0° | 0.1° |
| C9 | C8 | C7 | H1 | 180.0° | 179.7° |
| C8 | C9 | C10 | H3 | 179.9° | 180.0° |
| C24 | C25 | C21 | H19 | 180.0° | 180.0° |
| C24 | C25 | C21 | C17 | 179.3° | 179.4° |
| C25 | C24 | C23 | H17 | 180.0° | 179.7° |
| C10 | C11 | C6 | H4 | 180.0° | 179.3° |
| C10 | C11 | C6 | C7 | 0.7° | 0.6° |
| C10 | C11 | C6 | N5 | 179.6° | 179.4° |
| C11 | C10 | C9 | H2 | 179.9° | 179.9° |
| C25 | C21 | C17 | C18 | 174.1° | 179.9° |
| C25 | C21 | C17 | N12 | 47.1° | 61.2° |
| C25 | C21 | C17 | H15 | 72.0° | 60.9° |
| C21 | C25 | C24 | H18 | 179.8° | 180.0° |
| C21 | C17 | C18 | N12 | 123.0° | 119.0° |
| C21 | C17 | C18 | H15 | 114.4° | 119.0° |
| C21 | C17 | N12 | H15 | 119.0° | 122.0° |
| C21 | C17 | N12 | C4 | 72.3° | 57.4° |
| C21 | C17 | N12 | C13 | 123.7° | 122.6° |
| C21 | C17 | C18 | H8 | 171.2° | 179.9° |
| C17 | C21 | C25 | H19 | 0.7° | 0.6° |
| C8 | C7 | C6 | C11 | 0.5° | 0.2° |
| C8 | C7 | C6 | H1 | 180.0° | 179.8° |
| C8 | C7 | C6 | N5 | 179.4° | 179.8° |
| C7 | C8 | C9 | H2 | 179.7° | 179.7° |
| C18 | C17 | N12 | H15 | 122.1° | 122.0° |
| C18 | C17 | N12 | C4 | 46.6° | 58.6° |
| C18 | C17 | N12 | C13 | 117.4° | 121.4° |
| C17 | C18 | C19 | H16 | 171.3° | 179.7° |
| C11 | C6 | C7 | N5 | 179.0° | 180.0° |
| C11 | C6 | N5 | C2 | 28.8° | 33.4° |
| C11 | C6 | C7 | H1 | 179.5° | 179.9° |
| C6 | C11 | C10 | H3 | 179.6° | 179.7° |
| C11 | C6 | N5 | H10 | 151.2° | 146.6° |
| C17 | N12 | C4 | C13 | 165.5° | 180.0° |
| C17 | N12 | C4 | N3 | 11.1° | 0.0° |
| C17 | N12 | C13 | O | 8.2° | 0.0° |
| C17 | N12 | C4 | C | 168.6° | 180.0° |
| C17 | N12 | C13 | C14 | 170.8° | 180.0° |
| N12 | C17 | C18 | H8 | 48.2° | 61.1° |
| C7 | C6 | N5 | C2 | 152.3° | 146.5° |
| C7 | C6 | C11 | H4 | 179.3° | 179.9° |
| C7 | C6 | N5 | H10 | 27.7° | 33.5° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C6 | N5 | C2 | N3 | 2.3° | 174.7° |
| C6 | N5 | C2 | H10 | 180.0° | 180.0° |
| C6 | N5 | C2 | N | 177.6° | 5.6° |
| N5 | C6 | C7 | H1 | 0.5° | 0.0° |
| N5 | C6 | C11 | H4 | 0.4° | 0.1° |
| N12 | C4 | N3 | C | 179.6° | 180.0° |
| N12 | C4 | N3 | C2 | 179.8° | 180.0° |
| C4 | N12 | C13 | O | 174.1° | 180.0° |
| C4 | N12 | C13 | C14 | 4.9° | 0.0° |
| N12 | C4 | C | C14 | 0.2° | 0.0° |
| N12 | C4 | C | C1 | 179.7° | 180.0° |
| C4 | N12 | C17 | H15 | 168.8° | 179.4° |
| C13 | N12 | C4 | N3 | 176.6° | 180.0° |
| N12 | C13 | O | C14 | 178.8° | 180.0° |
| C13 | N12 | C4 | C | 3.0° | 0.0° |
| N12 | C13 | C14 | C | 4.5° | 0.0° |
| N12 | C13 | C14 | C16 | 113.5° | 118.6° |
| N12 | C13 | C14 | C15 | 124.1° | 118.6° |
| C13 | N12 | C17 | H15 | 4.7° | 0.6° |
| C4 | N3 | C2 | N5 | 180.0° | 179.7° |
| C4 | N3 | C2 | N | 0.2° | 0.0° |
| N3 | C4 | C | C14 | 179.8° | 180.0° |
| N3 | C4 | C | C1 | 0.0° | 0.0° |
| C2 | N3 | C4 | C | 0.2° | 0.0° |
| N3 | C2 | N5 | N | 179.8° | 179.7° |
| N3 | C2 | N | C1 | 0.0° | 0.0° |
| N3 | C2 | N5 | H10 | 177.7° | 5.3° |
| O | C13 | C14 | C | 174.5° | 180.0° |
| O | C13 | C14 | C16 | 67.5° | 61.4° |
| O | C13 | C14 | C15 | 54.9° | 61.4° |
| C4 | C | C14 | C13 | 2.9° | 0.0° |
| C4 | C | C14 | C1 | 179.8° | 180.0° |
| C4 | C | C14 | C16 | 114.0° | 118.6° |
| C4 | C | C14 | C15 | 120.3° | 118.6° |
| C4 | C | C1 | N | 0.2° | 0.0° |
| C4 | C | C1 | H9 | 179.8° | 179.9° |
| N5 | C2 | N | C1 | 179.8° | 179.7° |
| C13 | C14 | C | C16 | 116.9° | 118.6° |
| C13 | C14 | C | C15 | 117.4° | 118.6° |
| C13 | C14 | C | C1 | 177.0° | 180.0° |
| C13 | C14 | C16 | C15 | 121.7° | 122.8° |
| C13 | C14 | C15 | H5 | 180.0° | 61.5° |
| C13 | C14 | C15 | H6 | 60.0° | 178.6° |
| C13 | C14 | C15 | H7 | 60.0° | 58.5° |
| C13 | C14 | C16 | H12 | 180.0° | 58.6° |
| C13 | C14 | C16 | H13 | 60.0° | 178.6° |
| C13 | C14 | C16 | H14 | 60.0° | 61.4° |
| C2 | N | C1 | C | 0.2° | 0.0° |
| C2 | N | C1 | H9 | 179.8° | 179.9° |
| N | C2 | N5 | H10 | 2.4° | 174.4° |
| C | C14 | C16 | C15 | 126.7° | 122.7° |
| C14 | C | C1 | N | 180.0° | 180.0° |
| C | C14 | C15 | H5 | 67.6° | 175.9° |
| C | C14 | C15 | H6 | 52.4° | 64.1° |
| C | C14 | C15 | H7 | 172.3° | 56.0° |
| C14 | C | C1 | H9 | 0.0° | 0.1° |
| C | C14 | C16 | H12 | 68.4° | 55.9° |
| C | C14 | C16 | H13 | 171.6° | 64.0° |
| C | C14 | C16 | H14 | 51.7° | 175.9° |
| C1 | C | C14 | C16 | 66.2° | 61.4° |
| C1 | C | C14 | C15 | 59.5° | 61.4° |
| C | C1 | N | H9 | 180.0° | 179.9° |
| C16 | C14 | C15 | H5 | 58.3° | 61.3° |
| C16 | C14 | C15 | H6 | 178.3° | 58.7° |
| C16 | C14 | C15 | H7 | 61.7° | 178.7° |
| C14 | C16 | H12 | H13 | 120.0° | 120.0° |
| C14 | C16 | H12 | H14 | 120.0° | 120.0° |
| C14 | C16 | H13 | H14 | 120.0° | 120.0° |
| C14 | C15 | H5 | H6 | 120.0° | 120.0° |
| C14 | C15 | H5 | H7 | 120.0° | 120.0° |
| C14 | C15 | H6 | H7 | 120.0° | 120.0° |
| C15 | C14 | C16 | H12 | 58.3° | 178.7° |
| C15 | C14 | C16 | H13 | 61.7° | 58.7° |
| C15 | C14 | C16 | H14 | 178.4° | 61.3° |
| H1 | C7 | C8 | H11 | 0.1° | 0.2° |
| H2 | C9 | C10 | H3 | 0.1° | 0.2° |
| H2 | C9 | C8 | H11 | 0.3° | 0.1° |
| H3 | C10 | C11 | H4 | 0.4° | 0.3° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H8 | C18 | C17 | H15 | 74.4° | 61.0° |
| H8 | C18 | C19 | H16 | 8.8° | 0.0° |
| H12 | C16 | H13 | H14 | 120.0° | 120.0° |
| H17 | C23 | C24 | H18 | 0.0° | 0.0° |
| H18 | C24 | C25 | H19 | 0.2° | 0.0° |
