C6X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C7 | doub | 1.22Å | 1.24Å | |
| C7 | N9 | sing | 1.35Å | 1.33Å | |
| C7 | C4 | sing | 1.48Å | 1.52Å | |
| C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.36Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | N11 | sing | 1.47Å | 1.52Å | |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.37Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.39Å | |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| N11 | C18 | sing | 1.40Å | 1.38Å | |
| C14 | C13 | doub | 1.40Å | 1.43Å | Aromatic |
| C14 | C26 | sing | 1.47Å | 1.46Å | |
| C13 | C24 | sing | 1.47Å | 1.42Å | |
| N19 | C18 | sing | 1.32Å | 1.36Å | Aromatic |
| N19 | C20 | doub | 1.32Å | 1.32Å | Aromatic |
| C18 | C23 | doub | 1.40Å | 1.46Å | Aromatic |
| C26 | O27 | doub | 1.22Å | 1.31Å | |
| C26 | N25 | sing | 1.35Å | 1.33Å | |
| C24 | N25 | sing | 1.39Å | 1.35Å | |
| C24 | C29 | doub | 1.36Å | 1.42Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| N25 | C28 | sing | 1.47Å | 1.49Å | |
| C23 | C29 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C5 | H15 | sing | 1.08Å | 1.08Å | |
| C6 | H16 | sing | 1.08Å | 1.08Å | |
| N9 | H17 | sing | 0.97Å | 1.00Å | |
| N9 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C7 | N9 | 120.1° | 120.0° |
| O8 | C7 | C4 | 118.3° | 120.0° |
| N9 | C7 | C4 | 121.5° | 120.0° |
| C7 | N9 | H17 | 120.0° | 120.0° |
| C7 | N9 | H18 | 120.0° | 120.0° |
| C7 | C4 | C5 | 119.5° | 120.1° |
| C7 | C4 | C3 | 121.2° | 120.2° |
| C4 | C5 | C6 | 119.3° | 119.9° |
| C5 | C4 | C3 | 119.3° | 119.7° |
| C4 | C5 | H15 | 120.3° | 120.0° |
| C5 | C6 | C1 | 121.5° | 120.2° |
| C6 | C5 | H15 | 120.3° | 120.1° |
| C5 | C6 | H16 | 119.2° | 119.9° |
| C4 | C3 | C2 | 122.0° | 119.8° |
| C4 | C3 | H14 | 119.0° | 120.1° |
| C6 | C1 | C2 | 120.0° | 120.3° |
| C6 | C1 | H1 | 120.0° | 119.8° |
| C1 | C6 | H16 | 119.2° | 119.9° |
| C3 | C2 | C1 | 117.8° | 120.2° |
| C3 | C2 | C10 | 119.4° | 119.9° |
| C2 | C3 | H14 | 119.0° | 120.1° |
| C1 | C2 | C10 | 122.7° | 119.9° |
| C2 | C1 | H1 | 120.0° | 119.9° |
| C2 | C10 | N11 | 116.4° | 109.5° |
| C2 | C10 | H2 | 107.7° | 109.5° |
| C2 | C10 | H3 | 107.7° | 109.5° |
| C10 | N11 | C12 | 113.5° | 116.1° |
| C10 | N11 | C18 | 116.4° | 116.1° |
| N11 | C10 | H2 | 107.7° | 109.5° |
| N11 | C10 | H3 | 107.7° | 109.4° |
| C17 | C16 | C15 | 121.1° | 121.4° |
| C16 | C17 | C12 | 123.1° | 119.9° |
| C17 | C16 | H5 | 119.5° | 119.3° |
| C16 | C17 | H6 | 118.4° | 120.1° |
| C16 | C15 | C14 | 117.0° | 119.7° |
| C16 | C15 | H4 | 121.5° | 120.2° |
| C15 | C16 | H5 | 119.4° | 119.3° |
| C17 | C12 | N11 | 122.2° | 113.1° |
| C17 | C12 | C13 | 116.4° | 119.0° |
| C12 | C17 | H6 | 118.5° | 120.0° |
| C15 | C14 | C13 | 122.4° | 118.6° |
| C15 | C14 | C26 | 133.0° | 135.3° |
| C14 | C15 | H4 | 121.5° | 120.1° |
| N11 | C12 | C13 | 121.2° | 127.9° |
| C12 | N11 | C18 | 130.0° | 127.8° |
| C12 | C13 | C14 | 119.7° | 121.4° |
| C12 | C13 | C24 | 135.3° | 131.5° |
| N11 | C18 | N19 | 113.6° | 110.7° |
| N11 | C18 | C23 | 125.8° | 129.4° |
| C13 | C14 | C26 | 104.6° | 106.1° |
| C14 | C13 | C24 | 105.0° | 107.1° |
| C14 | C26 | O27 | 123.6° | 125.4° |
| C14 | C26 | N25 | 110.6° | 109.2° |
| C13 | C24 | N25 | 112.0° | 107.5° |
| C13 | C24 | C29 | 124.7° | 126.7° |
| C18 | N19 | C20 | 123.6° | 122.0° |
| N19 | C18 | C23 | 120.0° | 120.0° |
| N19 | C20 | C21 | 119.3° | 121.2° |
| N19 | C20 | H7 | 120.4° | 119.4° |
| C18 | C23 | C29 | 128.0° | 129.8° |
| C18 | C23 | C22 | 115.7° | 119.1° |
| O27 | C26 | N25 | 125.7° | 125.4° |
| C26 | N25 | C24 | 107.7° | 110.1° |
| C26 | N25 | C28 | 125.4° | 125.0° |
| N25 | C24 | C29 | 123.1° | 125.8° |
| C24 | N25 | C28 | 126.9° | 125.0° |
| C24 | C29 | C23 | 127.1° | 126.9° |
| C24 | C29 | H13 | 116.5° | 116.5° |
| C20 | C21 | C22 | 120.0° | 119.3° |
| C21 | C20 | H7 | 120.4° | 119.3° |
| C20 | C21 | H8 | 120.0° | 120.3° |
| N25 | C28 | H10 | 109.5° | 109.4° |
| N25 | C28 | H11 | 109.5° | 109.5° |
| N25 | C28 | H12 | 109.5° | 109.4° |
| C29 | C23 | C22 | 116.3° | 111.1° |
| C23 | C29 | H13 | 116.4° | 116.6° |
| C23 | C22 | C21 | 121.1° | 118.3° |
| C23 | C22 | H9 | 119.5° | 120.8° |
| C22 | C21 | H8 | 120.0° | 120.4° |
| C21 | C22 | H9 | 119.4° | 120.8° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H10 | C28 | H12 | 109.5° | 109.5° |
| H11 | C28 | H12 | 109.4° | 109.5° |
| H17 | N9 | H18 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C7 | N9 | C4 | 179.6° | 180.0° |
| O8 | C7 | C4 | C5 | 45.3° | 180.0° |
| O8 | C7 | C4 | C3 | 132.6° | 0.1° |
| O8 | C7 | N9 | H17 | 0.0° | 179.9° |
| O8 | C7 | N9 | H18 | 180.0° | 0.0° |
| N9 | C7 | C4 | C5 | 134.4° | 0.0° |
| N9 | C7 | C4 | C3 | 47.7° | 180.0° |
| C7 | N9 | H17 | H18 | 180.0° | 179.9° |
| C7 | C4 | C5 | C3 | 177.9° | 180.0° |
| C7 | C4 | C5 | C6 | 177.8° | 179.7° |
| C7 | C4 | C3 | C2 | 179.7° | 180.0° |
| C7 | C4 | C3 | H14 | 0.3° | 0.0° |
| C7 | C4 | C5 | H15 | 2.2° | 0.0° |
| C4 | C7 | N9 | H17 | 179.6° | 0.0° |
| C4 | C7 | N9 | H18 | 0.4° | 180.0° |
| C4 | C5 | C6 | H15 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 1.5° | 0.6° |
| C5 | C4 | C3 | C2 | 1.8° | 0.0° |
| C5 | C4 | C3 | H14 | 178.2° | 180.0° |
| C4 | C5 | C6 | H16 | 178.5° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C5 | C6 | C1 | H16 | 180.0° | 179.4° |
| C5 | C6 | C1 | C2 | 1.0° | 0.6° |
| C5 | C6 | C1 | H1 | 179.0° | 179.8° |
| C4 | C3 | C2 | H14 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 2.3° | 0.0° |
| C4 | C3 | C2 | C10 | 180.0° | 179.9° |
| C3 | C4 | C5 | H15 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.9° | 0.3° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C10 | 178.5° | 179.8° |
| C1 | C6 | C5 | H15 | 178.5° | 179.7° |
| C3 | C2 | C1 | C10 | 177.6° | 180.0° |
| C3 | C2 | C10 | N11 | 121.6° | 90.0° |
| C3 | C2 | C1 | H1 | 179.1° | 180.0° |
| C3 | C2 | C10 | H2 | 117.4° | 30.0° |
| C3 | C2 | C10 | H3 | 0.6° | 150.0° |
| C1 | C2 | C10 | N11 | 60.8° | 90.0° |
| C1 | C2 | C10 | H2 | 60.2° | 150.0° |
| C1 | C2 | C10 | H3 | 178.1° | 29.9° |
| C1 | C2 | C3 | H14 | 177.7° | 180.0° |
| C2 | C1 | C6 | H16 | 179.0° | 180.0° |
| C2 | C10 | N11 | H2 | 121.0° | 120.0° |
| C2 | C10 | N11 | H3 | 121.0° | 119.9° |
| C2 | C10 | N11 | C12 | 52.2° | 86.8° |
| C2 | C10 | N11 | C18 | 126.4° | 93.1° |
| C10 | C2 | C1 | H1 | 1.5° | 0.1° |
| C2 | C10 | H2 | H3 | 116.9° | 120.0° |
| C10 | C2 | C3 | H14 | 0.0° | 0.0° |
| C10 | N11 | C12 | C17 | 30.8° | 0.4° |
| C10 | N11 | C12 | C18 | 178.4° | 179.9° |
| C10 | N11 | C12 | C13 | 143.9° | 179.8° |
| C10 | N11 | C18 | N19 | 27.2° | 0.1° |
| C10 | N11 | C18 | C23 | 144.0° | 179.8° |
| N11 | C10 | H2 | H3 | 116.9° | 120.0° |
| C17 | C16 | C15 | H5 | 180.0° | 179.5° |
| C16 | C17 | C12 | H6 | 180.0° | 179.5° |
| C17 | C16 | C15 | C14 | 3.0° | 0.2° |
| C16 | C17 | C12 | N11 | 168.1° | 179.7° |
| C16 | C17 | C12 | C13 | 6.8° | 0.6° |
| C17 | C16 | C15 | H4 | 177.0° | 179.9° |
| C15 | C16 | C17 | C12 | 5.9° | 0.5° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 1.6° | 0.0° |
| C16 | C15 | C14 | C26 | 177.2° | 180.0° |
| C15 | C16 | C17 | H6 | 174.1° | 180.0° |
| C17 | C12 | N11 | C13 | 174.7° | 179.8° |
| C17 | C12 | N11 | C18 | 150.8° | 179.7° |
| C17 | C12 | C13 | C14 | 5.2° | 0.4° |
| C17 | C12 | C13 | C24 | 176.6° | 179.6° |
| C12 | C17 | C16 | H5 | 174.1° | 180.0° |
| C15 | C14 | C13 | C12 | 2.8° | 0.1° |
| C15 | C14 | C13 | C26 | 179.0° | 180.0° |
| C15 | C14 | C13 | C24 | 178.5° | 179.9° |
| C15 | C14 | C26 | O27 | 1.2° | 0.1° |
| C15 | C14 | C26 | N25 | 178.6° | 179.9° |
| C14 | C15 | C16 | H5 | 177.0° | 179.7° |
| N11 | C12 | C13 | C14 | 169.8° | 179.9° |
| N11 | C12 | C13 | C24 | 8.4° | 0.1° |
| C12 | N11 | C18 | N19 | 154.4° | 179.8° |
| C12 | N11 | C18 | C23 | 34.4° | 0.3° |
| C12 | N11 | C10 | H2 | 173.2° | 153.1° |
| C12 | N11 | C10 | H3 | 68.8° | 33.1° |
| N11 | C12 | C17 | H6 | 11.9° | 0.2° |
| C13 | C12 | N11 | C18 | 34.5° | 0.1° |
| C12 | C13 | C14 | C24 | 178.7° | 180.0° |
| C12 | C13 | C14 | C26 | 176.2° | 179.9° |
| C12 | C13 | C24 | N25 | 176.6° | 179.9° |
| C12 | C13 | C24 | C29 | 8.0° | 0.2° |
| C13 | C12 | C17 | H6 | 173.2° | 179.9° |
| N11 | C18 | N19 | C23 | 171.8° | 179.9° |
| N11 | C18 | N19 | C20 | 170.3° | 179.8° |
| N11 | C18 | C23 | C29 | 7.9° | 0.5° |
| N11 | C18 | C23 | C22 | 172.4° | 179.7° |
| C18 | N11 | C10 | H2 | 5.4° | 26.9° |
| C18 | N11 | C10 | H3 | 112.6° | 146.9° |
| C13 | C14 | C26 | O27 | 179.9° | 179.9° |
| C13 | C14 | C26 | N25 | 2.5° | 0.1° |
| C14 | C13 | C24 | N25 | 1.8° | 0.1° |
| C14 | C13 | C24 | C29 | 173.6° | 179.9° |
| C13 | C14 | C15 | H4 | 178.4° | 180.0° |
| C26 | C14 | C13 | C24 | 2.5° | 0.1° |
| C14 | C26 | O27 | N25 | 177.0° | 180.0° |
| C14 | C26 | N25 | C24 | 1.4° | 0.0° |
| C14 | C26 | N25 | C28 | 179.4° | 180.0° |
| C26 | C14 | C15 | H4 | 2.8° | 0.0° |
| C13 | C24 | N25 | C26 | 0.3° | 0.0° |
| C13 | C24 | N25 | C29 | 175.5° | 179.9° |
| C13 | C24 | N25 | C28 | 178.9° | 179.9° |
| C13 | C24 | C29 | C23 | 1.3° | 0.2° |
| C13 | C24 | C29 | H13 | 178.7° | 179.9° |
| C18 | N19 | C20 | C21 | 0.4° | 0.0° |
| N19 | C18 | C23 | C29 | 178.6° | 179.7° |
| N19 | C18 | C23 | C22 | 1.7° | 0.2° |
| C18 | N19 | C20 | H7 | 179.6° | 180.0° |
| C20 | N19 | C18 | C23 | 1.5° | 0.1° |
| N19 | C20 | C21 | H7 | 180.0° | 180.0° |
| N19 | C20 | C21 | C22 | 3.8° | 0.1° |
| N19 | C20 | C21 | H8 | 176.2° | 179.9° |
| C18 | C23 | C29 | C24 | 6.5° | 0.2° |
| C18 | C23 | C29 | C22 | 179.7° | 179.9° |
| C18 | C23 | C22 | C21 | 5.8° | 0.1° |
| C18 | C23 | C22 | H9 | 174.2° | 179.9° |
| C18 | C23 | C29 | H13 | 173.5° | 179.8° |
| O27 | C26 | N25 | C24 | 178.8° | 179.9° |
| O27 | C26 | N25 | C28 | 2.1° | 0.0° |
| C26 | N25 | C24 | C28 | 179.1° | 180.0° |
| C26 | N25 | C24 | C29 | 175.2° | 179.9° |
| C26 | N25 | C28 | H10 | 180.0° | 90.0° |
| C26 | N25 | C28 | H11 | 60.0° | 30.0° |
| C26 | N25 | C28 | H12 | 60.0° | 150.0° |
| N25 | C24 | C29 | C23 | 176.2° | 179.9° |
| C24 | N25 | C28 | H10 | 1.0° | 90.0° |
| C24 | N25 | C28 | H11 | 121.0° | 150.0° |
| C24 | N25 | C28 | H12 | 119.0° | 29.9° |
| N25 | C24 | C29 | H13 | 3.8° | 0.1° |
| C29 | C24 | N25 | C28 | 5.7° | 0.1° |
| C24 | C29 | C23 | H13 | 180.0° | 179.9° |
| C24 | C29 | C23 | C22 | 173.3° | 180.0° |
| C20 | C21 | C22 | C23 | 7.1° | 0.0° |
| C20 | C21 | C22 | H8 | 180.0° | 180.0° |
| C20 | C21 | C22 | H9 | 172.9° | 180.0° |
| N25 | C28 | H10 | H11 | 120.0° | 120.0° |
| N25 | C28 | H10 | H12 | 120.0° | 119.9° |
| N25 | C28 | H11 | H12 | 120.0° | 120.0° |
| C29 | C23 | C22 | C21 | 174.4° | 179.8° |
| C29 | C23 | C22 | H9 | 5.6° | 0.3° |
| C23 | C22 | C21 | H9 | 180.0° | 180.0° |
| C23 | C22 | C21 | H8 | 172.9° | 180.0° |
| C22 | C23 | C29 | H13 | 6.7° | 0.1° |
| C22 | C21 | C20 | H7 | 176.1° | 179.9° |
| H1 | C1 | C6 | H16 | 1.0° | 0.3° |
| H4 | C15 | C16 | H5 | 3.0° | 0.3° |
| H5 | C16 | C17 | H6 | 5.9° | 0.5° |
| H7 | C20 | C21 | H8 | 3.9° | 0.1° |
| H8 | C21 | C22 | H9 | 7.1° | 0.0° |
| H10 | C28 | H11 | H12 | 120.0° | 120.1° |
| H15 | C5 | C6 | H16 | 1.5° | 0.3° |
