6C3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.43Å | Aromatic |
| C1 | N1 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.44Å | Aromatic |
| C2 | C7 | sing | 1.49Å | 1.52Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C7 | C15 | sing | 1.47Å | 1.51Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.45Å | Aromatic |
| C8 | C17 | sing | 1.41Å | 1.51Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.55Å | Aromatic |
| C9 | N1 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | O1 | doub | 1.23Å | 1.25Å | |
| C10 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C11 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C12 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | doub | 1.39Å | 1.43Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C16 | C17 | doub | 1.37Å | 1.40Å | Aromatic |
| C16 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | sing | 1.47Å | 1.48Å | |
| C19 | H191 | sing | 1.10Å | 1.10Å | |
| C19 | H192 | sing | 1.11Å | 1.10Å | |
| C19 | H193 | sing | 1.11Å | 1.10Å | |
| C4 | CL1 | sing | 1.72Å | 1.70Å | |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| N1 | HN1 | sing | 1.02Å | 1.00Å | |
| C17 | O2 | sing | 1.36Å | 1.39Å | Aromatic |
| O2 | N2 | sing | 1.39Å | 1.38Å | Aromatic |
| N2 | C18 | doub | 1.33Å | 1.33Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.6° | 121.3° |
| C2 | C1 | N1 | 119.5° | 119.8° |
| C1 | C2 | C3 | 117.0° | 118.0° |
| C1 | C2 | C7 | 120.5° | 119.8° |
| C6 | C1 | N1 | 118.9° | 118.9° |
| C1 | C6 | C5 | 119.8° | 119.9° |
| C1 | C6 | H6 | 120.1° | 120.8° |
| C1 | N1 | C9 | 125.4° | 123.7° |
| C1 | N1 | HN1 | 117.3° | 118.2° |
| C3 | C2 | C7 | 122.5° | 122.2° |
| C2 | C3 | C4 | 121.0° | 120.9° |
| C2 | C3 | H3 | 119.5° | 120.3° |
| C2 | C7 | C15 | 118.7° | 123.2° |
| C2 | C7 | C8 | 118.0° | 118.5° |
| C4 | C3 | H3 | 119.5° | 118.8° |
| C3 | C4 | CL1 | 118.8° | 119.9° |
| C3 | C4 | C5 | 121.2° | 120.2° |
| C15 | C7 | C8 | 123.3° | 118.3° |
| C7 | C15 | C10 | 121.0° | 119.5° |
| C7 | C15 | C14 | 119.7° | 119.5° |
| C7 | C8 | C17 | 129.8° | 121.2° |
| C7 | C8 | C9 | 118.4° | 121.5° |
| C17 | C8 | C9 | 111.7° | 117.3° |
| C8 | C17 | C16 | 122.7° | 127.9° |
| C8 | C17 | O2 | 133.1° | 122.5° |
| C8 | C9 | N1 | 118.3° | 116.7° |
| C8 | C9 | O1 | 123.1° | 120.8° |
| N1 | C9 | O1 | 118.6° | 122.5° |
| C9 | N1 | HN1 | 117.3° | 118.2° |
| C11 | C10 | C15 | 119.7° | 119.5° |
| C11 | C10 | H10 | 120.1° | 119.1° |
| C10 | C11 | C12 | 120.5° | 120.0° |
| C10 | C11 | H11 | 119.7° | 120.0° |
| C15 | C10 | H10 | 120.2° | 121.4° |
| C10 | C15 | C14 | 119.3° | 121.0° |
| C12 | C11 | H11 | 119.8° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | C14 | 119.9° | 120.0° |
| C12 | C13 | H13 | 120.1° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.1° |
| C13 | C14 | C15 | 120.5° | 119.5° |
| C13 | C14 | H14 | 119.8° | 119.1° |
| C15 | C14 | H14 | 119.8° | 121.4° |
| C17 | C16 | C18 | 107.3° | 103.8° |
| C17 | C16 | H16 | 126.4° | 127.6° |
| C16 | C17 | O2 | 104.3° | 109.6° |
| C18 | C16 | H16 | 126.4° | 128.6° |
| C16 | C18 | C19 | 128.0° | 127.7° |
| C16 | C18 | N2 | 111.1° | 112.4° |
| C18 | C19 | H191 | 109.5° | 111.4° |
| C18 | C19 | H192 | 109.4° | 112.2° |
| C18 | C19 | H193 | 109.5° | 112.2° |
| C19 | C18 | N2 | 120.6° | 119.9° |
| H191 | C19 | H192 | 109.5° | 107.4° |
| H191 | C19 | H193 | 109.5° | 107.5° |
| H192 | C19 | H193 | 109.5° | 105.8° |
| CL1 | C4 | C5 | 119.9° | 119.9° |
| C4 | C5 | C6 | 119.3° | 119.8° |
| C4 | C5 | H5 | 120.4° | 121.0° |
| C6 | C5 | H5 | 120.4° | 119.3° |
| C5 | C6 | H6 | 120.1° | 119.4° |
| C17 | O2 | N2 | 112.2° | 109.2° |
| O2 | N2 | C18 | 105.2° | 105.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N1 | 178.2° | 180.0° |
| C1 | C2 | C3 | C7 | 178.1° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | H3 | 179.7° | 179.9° |
| C1 | C2 | C7 | C15 | 177.8° | 180.0° |
| C1 | C2 | C7 | C8 | 0.6° | 0.0° |
| C2 | C1 | N1 | C9 | 0.2° | 0.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | H6 | 179.8° | 179.9° |
| C2 | C1 | N1 | HN1 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | C7 | 178.2° | 180.0° |
| C6 | C1 | N1 | C9 | 178.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C1 | N1 | HN1 | 2.0° | 0.0° |
| N1 | C1 | C2 | C3 | 178.1° | 180.0° |
| N1 | C1 | C2 | C7 | 0.1° | 0.0° |
| C1 | N1 | C9 | C8 | 0.1° | 0.0° |
| C1 | N1 | C9 | HN1 | 180.0° | 180.0° |
| C1 | N1 | C9 | O1 | 179.2° | 179.9° |
| N1 | C1 | C6 | C5 | 178.0° | 180.0° |
| N1 | C1 | C6 | H6 | 2.0° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C3 | C2 | C7 | C15 | 4.1° | 0.1° |
| C3 | C2 | C7 | C8 | 177.5° | 180.0° |
| C2 | C3 | C4 | CL1 | 178.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C7 | C2 | C3 | C4 | 177.9° | 180.0° |
| C7 | C2 | C3 | H3 | 2.2° | 0.0° |
| C2 | C7 | C15 | C8 | 178.3° | 180.0° |
| C2 | C7 | C8 | C17 | 174.5° | 180.0° |
| C2 | C7 | C8 | C9 | 0.9° | 0.0° |
| C2 | C7 | C15 | C10 | 96.9° | 90.0° |
| C2 | C7 | C15 | C14 | 82.1° | 90.0° |
| C3 | C4 | CL1 | C5 | 179.1° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | H5 | 179.7° | 180.0° |
| H3 | C3 | C4 | CL1 | 1.4° | 0.0° |
| H3 | C3 | C4 | C5 | 179.5° | 179.9° |
| C15 | C7 | C8 | C17 | 7.2° | 0.0° |
| C15 | C7 | C8 | C9 | 177.5° | 179.9° |
| C7 | C15 | C10 | C11 | 179.6° | 180.0° |
| C7 | C15 | C10 | C14 | 179.0° | 179.9° |
| C7 | C15 | C10 | H10 | 0.4° | 0.0° |
| C7 | C15 | C14 | C13 | 179.9° | 180.0° |
| C7 | C15 | C14 | H14 | 0.1° | 0.0° |
| C7 | C8 | C17 | C9 | 175.6° | 180.0° |
| C7 | C8 | C9 | N1 | 0.6° | 0.0° |
| C7 | C8 | C9 | O1 | 178.6° | 179.9° |
| C8 | C7 | C15 | C10 | 84.8° | 89.9° |
| C8 | C7 | C15 | C14 | 96.2° | 90.0° |
| C7 | C8 | C17 | C16 | 0.2° | 90.0° |
| C7 | C8 | C17 | O2 | 179.7° | 90.0° |
| C17 | C8 | C9 | N1 | 175.5° | 180.0° |
| C17 | C8 | C9 | O1 | 5.3° | 0.1° |
| C8 | C17 | C16 | O2 | 179.9° | 180.0° |
| C8 | C17 | C16 | C18 | 178.6° | 180.0° |
| C8 | C17 | C16 | H16 | 1.4° | 0.0° |
| C8 | C17 | O2 | N2 | 179.0° | 180.0° |
| C8 | C9 | N1 | O1 | 179.2° | 179.9° |
| C9 | C8 | C17 | C16 | 175.4° | 90.0° |
| C8 | C9 | N1 | HN1 | 179.9° | 180.0° |
| C9 | C8 | C17 | O2 | 4.7° | 89.9° |
| O1 | C9 | N1 | HN1 | 0.8° | 0.1° |
| C11 | C10 | C15 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C11 | C10 | C15 | C14 | 1.4° | 0.1° |
| C15 | C10 | C11 | C12 | 0.8° | 0.0° |
| C15 | C10 | C11 | H11 | 179.2° | 180.0° |
| C10 | C15 | C14 | C13 | 1.1° | 0.1° |
| C10 | C15 | C14 | H14 | 178.9° | 180.0° |
| H10 | C10 | C11 | C12 | 179.2° | 180.0° |
| H10 | C10 | C11 | H11 | 0.8° | 0.0° |
| H10 | C10 | C15 | C14 | 178.6° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C11 | C12 | C13 | H13 | 179.6° | 180.0° |
| H11 | C11 | C12 | C13 | 179.9° | 180.0° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| H12 | C12 | C13 | C14 | 179.6° | 180.0° |
| H12 | C12 | C13 | H13 | 0.4° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| H13 | C13 | C14 | C15 | 179.8° | 179.9° |
| H13 | C13 | C14 | H14 | 0.2° | 0.0° |
| C17 | C16 | C18 | H16 | 180.0° | 179.9° |
| C17 | C16 | C18 | C19 | 172.3° | 180.0° |
| C16 | C17 | O2 | N2 | 1.0° | 0.0° |
| C17 | C16 | C18 | N2 | 1.4° | 0.0° |
| C16 | C18 | C19 | N2 | 173.2° | 180.0° |
| C16 | C18 | C19 | H191 | 159.6° | 65.7° |
| C16 | C18 | C19 | H192 | 80.3° | 173.9° |
| C16 | C18 | C19 | H193 | 39.6° | 54.9° |
| C18 | C16 | C17 | O2 | 1.4° | 0.0° |
| C16 | C18 | N2 | O2 | 0.8° | 0.0° |
| H16 | C16 | C18 | C19 | 7.7° | 0.1° |
| H16 | C16 | C17 | O2 | 178.5° | 179.9° |
| H16 | C16 | C18 | N2 | 178.5° | 179.9° |
| C18 | C19 | H191 | H192 | 120.0° | 123.2° |
| C18 | C19 | H191 | H193 | 120.0° | 123.3° |
| C18 | C19 | H192 | H193 | 120.0° | 122.7° |
| C19 | C18 | N2 | O2 | 173.5° | 180.0° |
| H191 | C19 | H192 | H193 | 120.0° | 114.6° |
| H191 | C19 | C18 | N2 | 13.6° | 114.3° |
| H192 | C19 | C18 | N2 | 106.4° | 6.1° |
| H193 | C19 | C18 | N2 | 133.6° | 125.1° |
| CL1 | C4 | C5 | C6 | 178.8° | 180.0° |
| CL1 | C4 | C5 | H5 | 1.2° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| C17 | O2 | N2 | C18 | 0.2° | 0.0° |
