9C6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | |
| C2 | C1 | doub | 1.38Å | 1.40Å | |
| C3 | C4 | doub | 1.34Å | 1.40Å | |
| C14 | O3 | sing | 1.36Å | 1.35Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | O3 | sing | 1.36Å | 1.37Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C1 | sing | 1.48Å | 1.48Å | |
| C1 | C5 | sing | 1.48Å | 1.48Å | |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.37Å | 1.42Å | |
| C5 | N1 | sing | 1.37Å | 1.43Å | |
| C5 | N2 | doub | 1.31Å | 1.37Å | |
| N1 | C7 | sing | 1.47Å | 1.49Å | |
| N2 | S1 | sing | 1.66Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| O1 | S1 | doub | 1.42Å | 1.46Å | |
| S1 | C6 | sing | 1.82Å | 1.68Å | |
| S1 | O2 | doub | 1.42Å | 1.42Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 119.4° | 120.1° |
| C18 | C19 | C14 | 119.1° | 119.9° |
| C18 | C19 | H15 | 120.4° | 120.0° |
| C19 | C18 | H16 | 120.3° | 120.0° |
| C18 | C17 | C16 | 120.8° | 120.1° |
| C18 | C17 | H9 | 119.6° | 119.9° |
| C17 | C18 | H16 | 120.3° | 120.0° |
| C19 | C14 | O3 | 120.5° | 120.1° |
| C19 | C14 | C15 | 121.8° | 119.9° |
| C14 | C19 | H15 | 120.5° | 120.0° |
| C17 | C16 | C15 | 120.3° | 120.0° |
| C16 | C17 | H9 | 119.6° | 120.0° |
| C17 | C16 | H17 | 119.8° | 120.0° |
| C3 | C2 | C1 | 120.2° | 118.9° |
| C2 | C3 | C4 | 120.1° | 120.8° |
| C2 | C3 | H10 | 119.9° | 119.6° |
| C3 | C2 | H11 | 119.9° | 120.5° |
| C2 | C1 | C8 | 121.2° | 120.4° |
| C2 | C1 | C5 | 119.9° | 119.2° |
| C1 | C2 | H11 | 119.9° | 120.6° |
| C3 | C4 | N1 | 123.5° | 122.7° |
| C3 | C4 | H1 | 118.2° | 118.7° |
| C4 | C3 | H10 | 119.9° | 119.6° |
| O3 | C14 | C15 | 117.7° | 120.0° |
| C14 | O3 | C11 | 125.9° | 118.0° |
| C14 | C15 | C16 | 118.5° | 119.9° |
| C14 | C15 | H8 | 120.7° | 120.1° |
| O3 | C11 | C12 | 123.9° | 119.9° |
| O3 | C11 | C10 | 114.6° | 119.9° |
| C12 | C11 | C10 | 121.6° | 120.2° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C11 | C12 | H13 | 120.0° | 120.0° |
| C11 | C10 | C9 | 118.7° | 120.0° |
| C11 | C10 | H6 | 120.6° | 120.0° |
| C12 | C13 | C8 | 117.5° | 119.9° |
| C12 | C13 | H7 | 121.2° | 120.1° |
| C13 | C12 | H13 | 120.0° | 119.9° |
| C10 | C9 | C8 | 121.0° | 119.9° |
| C9 | C10 | H6 | 120.6° | 119.9° |
| C10 | C9 | H14 | 119.5° | 120.0° |
| C13 | C8 | C9 | 121.1° | 119.9° |
| C13 | C8 | C1 | 125.4° | 120.1° |
| C8 | C13 | H7 | 121.2° | 120.1° |
| C9 | C8 | C1 | 113.5° | 120.0° |
| C8 | C9 | H14 | 119.5° | 120.1° |
| C8 | C1 | C5 | 118.5° | 120.5° |
| C1 | C5 | N1 | 119.1° | 118.6° |
| C1 | C5 | N2 | 119.2° | 115.9° |
| C16 | C15 | H8 | 120.7° | 120.0° |
| C15 | C16 | H17 | 119.9° | 120.0° |
| C4 | N1 | C5 | 116.6° | 119.7° |
| C4 | N1 | C7 | 114.8° | 116.3° |
| N1 | C4 | H1 | 118.3° | 118.6° |
| N1 | C5 | N2 | 121.3° | 125.4° |
| C5 | N1 | C7 | 118.9° | 124.0° |
| C5 | N2 | S1 | 121.8° | 122.3° |
| N1 | C7 | C6 | 118.0° | 110.6° |
| N1 | C7 | H4 | 107.3° | 109.3° |
| N1 | C7 | H5 | 107.3° | 109.3° |
| N2 | S1 | O1 | 110.3° | 104.7° |
| N2 | S1 | C6 | 110.5° | 102.6° |
| N2 | S1 | O2 | 110.8° | 104.5° |
| C7 | C6 | S1 | 112.5° | 106.9° |
| C7 | C6 | H2 | 108.7° | 109.9° |
| C7 | C6 | H3 | 108.7° | 109.9° |
| C6 | C7 | H4 | 107.3° | 109.2° |
| C6 | C7 | H5 | 107.3° | 109.2° |
| O1 | S1 | C6 | 108.8° | 110.8° |
| O1 | S1 | O2 | 111.5° | 121.3° |
| C6 | S1 | O2 | 104.7° | 110.8° |
| S1 | C6 | H2 | 108.7° | 110.1° |
| S1 | C6 | H3 | 108.7° | 109.9° |
| H2 | C6 | H3 | 109.5° | 109.9° |
| H4 | C7 | H5 | 109.4° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H16 | 180.0° | 180.0° |
| C18 | C19 | C14 | H15 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.3° | 0.3° |
| C18 | C19 | C14 | O3 | 179.1° | 179.9° |
| C18 | C19 | C14 | C15 | 1.7° | 0.0° |
| C19 | C18 | C17 | H9 | 179.7° | 179.8° |
| C17 | C18 | C19 | C14 | 0.4° | 0.0° |
| C18 | C17 | C16 | H9 | 180.0° | 179.5° |
| C18 | C17 | C16 | C15 | 0.2° | 0.4° |
| C17 | C18 | C19 | H15 | 179.6° | 180.0° |
| C18 | C17 | C16 | H17 | 179.8° | 180.0° |
| C19 | C14 | O3 | C15 | 177.5° | 179.9° |
| C19 | C14 | O3 | C11 | 65.5° | 173.9° |
| C19 | C14 | C15 | C16 | 2.2° | 0.2° |
| C19 | C14 | C15 | H8 | 177.8° | 180.0° |
| C14 | C19 | C18 | H16 | 179.6° | 180.0° |
| C17 | C16 | C15 | C14 | 1.4° | 0.4° |
| C17 | C16 | C15 | H17 | 180.0° | 179.6° |
| C17 | C16 | C15 | H8 | 178.5° | 179.8° |
| C16 | C17 | C18 | H16 | 179.6° | 179.8° |
| C3 | C2 | C1 | H11 | 180.0° | 179.8° |
| C2 | C3 | C4 | H10 | 180.0° | 180.0° |
| C3 | C2 | C1 | C8 | 176.3° | 179.8° |
| C3 | C2 | C1 | C5 | 3.9° | 0.3° |
| C2 | C3 | C4 | N1 | 3.5° | 0.2° |
| C2 | C3 | C4 | H1 | 176.5° | 179.8° |
| C1 | C2 | C3 | C4 | 1.8° | 0.4° |
| C2 | C1 | C8 | C13 | 133.7° | 65.0° |
| C2 | C1 | C8 | C9 | 48.8° | 114.8° |
| C2 | C1 | C8 | C5 | 172.5° | 179.9° |
| C2 | C1 | C5 | N1 | 7.7° | 1.7° |
| C2 | C1 | C5 | N2 | 179.2° | 178.0° |
| C1 | C2 | C3 | H10 | 178.2° | 179.6° |
| C3 | C4 | N1 | H1 | 180.0° | 180.0° |
| C3 | C4 | N1 | C5 | 7.1° | 1.6° |
| C3 | C4 | N1 | C7 | 152.9° | 178.1° |
| C4 | C3 | C2 | H11 | 178.2° | 179.4° |
| C14 | O3 | C11 | C12 | 18.1° | 67.4° |
| C14 | O3 | C11 | C10 | 163.1° | 112.5° |
| O3 | C14 | C15 | C16 | 179.7° | 179.8° |
| O3 | C14 | C15 | H8 | 0.3° | 0.1° |
| O3 | C14 | C19 | H15 | 0.9° | 0.0° |
| C15 | C14 | O3 | C11 | 117.0° | 6.1° |
| C14 | C15 | C16 | H8 | 180.0° | 179.8° |
| C15 | C14 | C19 | H15 | 178.3° | 179.9° |
| C14 | C15 | C16 | H17 | 178.6° | 180.0° |
| O3 | C11 | C12 | C10 | 178.7° | 179.9° |
| O3 | C11 | C12 | C13 | 178.5° | 180.0° |
| O3 | C11 | C10 | C9 | 179.1° | 179.7° |
| O3 | C11 | C10 | H6 | 0.9° | 0.3° |
| O3 | C11 | C12 | H13 | 1.6° | 0.1° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.4° | 0.3° |
| C11 | C12 | C13 | C8 | 0.8° | 0.0° |
| C12 | C11 | C10 | H6 | 179.6° | 179.8° |
| C11 | C12 | C13 | H7 | 179.2° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C11 | C10 | C9 | H6 | 180.0° | 179.4° |
| C11 | C10 | C9 | C8 | 0.3° | 0.5° |
| C10 | C11 | C12 | H13 | 179.8° | 180.0° |
| C11 | C10 | C9 | H14 | 179.7° | 180.0° |
| C12 | C13 | C8 | H7 | 180.0° | 180.0° |
| C12 | C13 | C8 | C9 | 0.9° | 0.3° |
| C12 | C13 | C8 | C1 | 178.2° | 180.0° |
| C10 | C9 | C8 | C13 | 0.3° | 0.5° |
| C10 | C9 | C8 | H14 | 180.0° | 179.4° |
| C10 | C9 | C8 | C1 | 178.0° | 179.7° |
| C13 | C8 | C9 | C1 | 177.6° | 179.8° |
| C13 | C8 | C1 | C5 | 53.8° | 114.9° |
| C8 | C13 | C12 | H13 | 179.2° | 180.0° |
| C13 | C8 | C9 | H14 | 179.6° | 179.9° |
| C9 | C8 | C1 | C5 | 123.7° | 65.4° |
| C8 | C9 | C10 | H6 | 179.7° | 180.0° |
| C9 | C8 | C13 | H7 | 179.1° | 179.8° |
| C8 | C1 | C5 | N1 | 179.7° | 178.5° |
| C8 | C1 | C5 | N2 | 6.6° | 1.9° |
| C1 | C8 | C13 | H7 | 1.8° | 0.0° |
| C8 | C1 | C2 | H11 | 3.7° | 0.0° |
| C1 | C8 | C9 | H14 | 2.0° | 0.3° |
| C1 | C5 | N1 | C4 | 8.9° | 2.3° |
| C1 | C5 | N1 | N2 | 172.9° | 179.6° |
| C1 | C5 | N1 | C7 | 153.2° | 177.4° |
| C1 | C5 | N2 | S1 | 169.3° | 179.5° |
| C5 | C1 | C2 | H11 | 176.1° | 179.9° |
| C15 | C16 | C17 | H9 | 179.8° | 180.0° |
| C4 | N1 | C5 | C7 | 144.3° | 179.7° |
| C4 | N1 | C5 | N2 | 178.1° | 177.3° |
| C4 | N1 | C7 | C6 | 153.2° | 144.3° |
| C4 | N1 | C7 | H4 | 32.0° | 24.0° |
| C4 | N1 | C7 | H5 | 85.6° | 95.5° |
| N1 | C4 | C3 | H10 | 176.5° | 179.8° |
| N1 | C5 | N2 | S1 | 17.8° | 0.1° |
| C5 | N1 | C7 | C6 | 8.3° | 36.1° |
| C5 | N1 | C4 | H1 | 172.9° | 178.4° |
| C5 | N1 | C7 | H4 | 112.9° | 156.3° |
| C5 | N1 | C7 | H5 | 129.5° | 84.2° |
| N2 | C5 | N1 | C7 | 33.9° | 3.0° |
| C5 | N2 | S1 | O1 | 101.5° | 92.1° |
| C5 | N2 | S1 | C6 | 18.9° | 23.7° |
| C5 | N2 | S1 | O2 | 134.5° | 139.4° |
| N1 | C7 | C6 | H4 | 121.2° | 120.3° |
| N1 | C7 | C6 | H5 | 121.2° | 120.3° |
| N1 | C7 | C6 | S1 | 27.0° | 57.6° |
| C7 | N1 | C4 | H1 | 27.1° | 1.9° |
| N1 | C7 | C6 | H2 | 93.4° | 62.0° |
| N1 | C7 | C6 | H3 | 147.5° | 176.9° |
| N1 | C7 | H4 | H5 | 116.2° | 119.5° |
| N2 | S1 | C6 | C7 | 39.6° | 50.9° |
| N2 | S1 | O1 | C6 | 121.4° | 110.0° |
| N2 | S1 | O1 | O2 | 123.6° | 117.6° |
| N2 | S1 | C6 | O2 | 119.3° | 111.1° |
| N2 | S1 | C6 | H2 | 80.8° | 68.5° |
| N2 | S1 | C6 | H3 | 160.1° | 170.2° |
| C7 | C6 | S1 | O1 | 81.6° | 60.4° |
| C7 | C6 | S1 | H2 | 120.5° | 119.4° |
| C7 | C6 | S1 | H3 | 120.4° | 119.3° |
| C7 | C6 | S1 | O2 | 159.0° | 162.0° |
| C7 | C6 | H2 | H3 | 118.6° | 121.1° |
| C6 | C7 | H4 | H5 | 116.1° | 119.4° |
| O1 | S1 | C6 | O2 | 119.4° | 137.6° |
| O1 | S1 | C6 | H2 | 157.9° | 179.8° |
| O1 | S1 | C6 | H3 | 38.8° | 58.9° |
| S1 | C6 | H2 | H3 | 118.6° | 121.3° |
| S1 | C6 | C7 | H4 | 148.3° | 177.8° |
| S1 | C6 | C7 | H5 | 94.2° | 62.7° |
| O2 | S1 | C6 | H2 | 38.5° | 42.6° |
| O2 | S1 | C6 | H3 | 80.6° | 78.7° |
| H1 | C4 | C3 | H10 | 3.5° | 0.2° |
| H2 | C6 | C7 | H4 | 27.8° | 58.3° |
| H2 | C6 | C7 | H5 | 145.3° | 177.7° |
| H3 | C6 | C7 | H4 | 91.3° | 62.9° |
| H3 | C6 | C7 | H5 | 26.3° | 56.6° |
| H6 | C10 | C9 | H14 | 0.2° | 0.6° |
| H7 | C13 | C12 | H13 | 0.8° | 0.1° |
| H8 | C15 | C16 | H17 | 1.5° | 0.2° |
| H9 | C17 | C18 | H16 | 0.3° | 0.3° |
| H9 | C17 | C16 | H17 | 0.2° | 0.5° |
| H10 | C3 | C2 | H11 | 1.8° | 0.6° |
| H15 | C19 | C18 | H16 | 0.4° | 0.1° |
