8FC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N11 | sing | 1.46Å | 1.44Å | |
| C06 | C01 | doub | 1.38Å | 1.46Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.57Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.43Å | Aromatic |
| N11 | C10 | sing | 1.35Å | 1.30Å | |
| N11 | C05 | sing | 1.41Å | 1.51Å | |
| C13 | C09 | sing | 1.53Å | 1.53Å | |
| O12 | C10 | doub | 1.21Å | 1.21Å | |
| C10 | C09 | sing | 1.51Å | 1.62Å | |
| C05 | C04 | doub | 1.39Å | 1.34Å | Aromatic |
| C02 | N07 | sing | 1.40Å | 1.41Å | |
| C02 | C03 | doub | 1.39Å | 1.48Å | Aromatic |
| C09 | C25 | sing | 1.53Å | 1.51Å | |
| C09 | N08 | sing | 1.47Å | 1.31Å | |
| C04 | C03 | sing | 1.39Å | 1.56Å | Aromatic |
| C04 | N08 | sing | 1.40Å | 1.51Å | |
| N07 | S26 | sing | 1.66Å | 1.66Å | |
| N08 | C14 | sing | 1.47Å | 1.46Å | |
| S26 | O28 | doub | 1.42Å | 1.44Å | |
| S26 | O27 | doub | 1.42Å | 1.43Å | |
| S26 | C15 | sing | 1.76Å | 1.78Å | |
| C14 | C24 | sing | 1.53Å | 1.52Å | |
| C14 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C20 | C15 | doub | 1.38Å | 1.50Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.51Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.52Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.51Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.52Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.52Å | Aromatic |
| C18 | C21 | sing | 1.51Å | 1.51Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.08Å | 1.08Å | |
| C03 | H15 | sing | 1.08Å | 1.08Å | |
| C06 | H16 | sing | 1.08Å | 1.08Å | |
| N07 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N11 | C10 | 120.8° | 120.7° |
| C22 | N11 | C05 | 122.0° | 120.7° |
| N11 | C22 | H9 | 109.5° | 109.5° |
| N11 | C22 | H10 | 109.4° | 109.5° |
| N11 | C22 | H11 | 109.5° | 109.5° |
| C01 | C06 | C05 | 119.5° | 119.9° |
| C06 | C01 | C02 | 118.1° | 120.1° |
| C06 | C01 | H14 | 120.9° | 119.9° |
| C01 | C06 | H16 | 120.3° | 120.1° |
| C06 | C05 | N11 | 117.1° | 120.3° |
| C06 | C05 | C04 | 122.0° | 120.2° |
| C05 | C06 | H16 | 120.2° | 120.0° |
| C01 | C02 | N07 | 120.2° | 120.0° |
| C01 | C02 | C03 | 123.0° | 120.1° |
| C02 | C01 | H14 | 120.9° | 120.0° |
| C10 | N11 | C05 | 117.1° | 118.5° |
| N11 | C10 | O12 | 123.7° | 120.3° |
| N11 | C10 | C09 | 115.9° | 119.5° |
| N11 | C05 | C04 | 120.7° | 119.5° |
| C13 | C09 | C10 | 113.0° | 109.4° |
| C13 | C09 | C25 | 98.8° | 109.4° |
| C13 | C09 | N08 | 115.1° | 109.4° |
| C09 | C13 | H1 | 109.5° | 109.5° |
| C09 | C13 | H2 | 109.5° | 109.5° |
| C09 | C13 | H3 | 109.5° | 109.5° |
| O12 | C10 | C09 | 120.4° | 120.2° |
| C10 | C09 | C25 | 100.4° | 109.4° |
| C10 | C09 | N08 | 113.5° | 110.0° |
| C05 | C04 | C03 | 118.8° | 119.7° |
| C05 | C04 | N08 | 118.6° | 120.2° |
| N07 | C02 | C03 | 116.9° | 119.9° |
| C02 | N07 | S26 | 115.4° | 120.0° |
| C02 | N07 | H17 | 108.0° | 120.1° |
| C02 | C03 | C04 | 118.5° | 120.0° |
| C02 | C03 | H15 | 120.7° | 120.0° |
| C25 | C09 | N08 | 114.3° | 109.3° |
| C09 | C25 | H23 | 109.5° | 109.5° |
| C09 | C25 | H24 | 109.4° | 109.5° |
| C09 | C25 | H25 | 109.5° | 109.5° |
| C09 | N08 | C04 | 110.1° | 112.0° |
| C09 | N08 | C14 | 122.3° | 111.0° |
| C03 | C04 | N08 | 122.5° | 120.1° |
| C04 | C03 | H15 | 120.8° | 120.0° |
| C04 | N08 | C14 | 125.6° | 111.0° |
| N07 | S26 | O28 | 114.1° | 106.4° |
| N07 | S26 | O27 | 106.1° | 106.4° |
| N07 | S26 | C15 | 119.1° | 107.2° |
| S26 | N07 | H17 | 108.0° | 119.9° |
| N08 | C14 | C24 | 119.7° | 117.5° |
| N08 | C14 | C23 | 120.3° | 117.5° |
| N08 | C14 | H18 | 115.9° | 115.5° |
| O28 | S26 | O27 | 101.9° | 123.2° |
| O28 | S26 | C15 | 108.0° | 106.4° |
| O27 | S26 | C15 | 105.9° | 106.4° |
| S26 | C15 | C20 | 119.8° | 120.0° |
| S26 | C15 | C16 | 119.5° | 120.0° |
| C24 | C14 | C23 | 59.7° | 60.0° |
| C14 | C24 | C23 | 60.1° | 60.0° |
| C14 | C24 | H12 | 120.0° | 117.4° |
| C14 | C24 | H13 | 120.0° | 117.5° |
| C24 | C14 | H18 | 114.8° | 117.6° |
| C14 | C23 | C24 | 60.2° | 60.0° |
| C23 | C14 | H18 | 114.8° | 117.6° |
| C14 | C23 | H21 | 120.0° | 117.5° |
| C14 | C23 | H22 | 120.0° | 117.5° |
| C23 | C24 | H12 | 120.0° | 117.5° |
| C23 | C24 | H13 | 120.0° | 117.5° |
| C24 | C23 | H21 | 119.9° | 117.5° |
| C24 | C23 | H22 | 120.0° | 117.5° |
| C15 | C20 | C19 | 120.1° | 120.0° |
| C20 | C15 | C16 | 120.7° | 120.0° |
| C15 | C20 | H5 | 120.0° | 120.0° |
| C20 | C19 | C18 | 119.1° | 120.0° |
| C19 | C20 | H5 | 120.0° | 120.0° |
| C20 | C19 | H20 | 120.4° | 120.0° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C15 | C16 | H19 | 120.0° | 120.0° |
| C19 | C18 | C17 | 121.6° | 120.0° |
| C19 | C18 | C21 | 117.7° | 120.0° |
| C18 | C19 | H20 | 120.5° | 120.0° |
| C16 | C17 | C18 | 118.6° | 120.0° |
| C16 | C17 | H4 | 120.7° | 120.0° |
| C17 | C16 | H19 | 120.1° | 120.0° |
| C17 | C18 | C21 | 120.7° | 120.0° |
| C18 | C17 | H4 | 120.7° | 120.0° |
| C18 | C21 | H6 | 109.5° | 109.5° |
| C18 | C21 | H7 | 109.4° | 109.5° |
| C18 | C21 | H8 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.4° | 109.4° |
| H1 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.4° |
| H6 | C21 | H8 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.4° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H11 | 109.5° | 109.4° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 115.6° |
| H21 | C23 | H22 | 109.5° | 115.6° |
| H23 | C25 | H24 | 109.4° | 109.4° |
| H23 | C25 | H25 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | N11 | C05 | C06 | 17.2° | 18.3° |
| C22 | N11 | C10 | C05 | 178.2° | 179.9° |
| C22 | N11 | C10 | O12 | 0.7° | 0.4° |
| C22 | N11 | C10 | C09 | 179.9° | 179.2° |
| C22 | N11 | C05 | C04 | 158.6° | 162.0° |
| N11 | C22 | H9 | H10 | 120.0° | 120.0° |
| N11 | C22 | H9 | H11 | 120.0° | 120.0° |
| N11 | C22 | H10 | H11 | 120.0° | 120.0° |
| C01 | C06 | C05 | H16 | 180.0° | 179.9° |
| C06 | C01 | C02 | H14 | 180.0° | 180.0° |
| C01 | C06 | C05 | N11 | 178.6° | 179.7° |
| C01 | C06 | C05 | C04 | 2.8° | 0.1° |
| C06 | C01 | C02 | N07 | 179.0° | 179.9° |
| C06 | C01 | C02 | C03 | 0.1° | 0.1° |
| C05 | C06 | C01 | C02 | 1.1° | 0.1° |
| C06 | C05 | N11 | C10 | 164.6° | 161.8° |
| C06 | C05 | N11 | C04 | 175.8° | 179.7° |
| C06 | C05 | C04 | C03 | 3.2° | 0.1° |
| C06 | C05 | C04 | N08 | 180.0° | 179.7° |
| C05 | C06 | C01 | H14 | 178.9° | 180.0° |
| C01 | C02 | N07 | C03 | 179.1° | 180.0° |
| C01 | C02 | C03 | C04 | 0.6° | 0.0° |
| C01 | C02 | N07 | S26 | 148.1° | 45.0° |
| C01 | C02 | C03 | H15 | 179.4° | 180.0° |
| C02 | C01 | C06 | H16 | 178.9° | 180.0° |
| C01 | C02 | N07 | H17 | 91.0° | 135.0° |
| N11 | C10 | C09 | C13 | 91.4° | 85.2° |
| N11 | C10 | O12 | C09 | 179.2° | 179.6° |
| C10 | N11 | C05 | C04 | 19.6° | 17.9° |
| N11 | C10 | C09 | C25 | 164.3° | 155.0° |
| N11 | C10 | C09 | N08 | 41.9° | 35.0° |
| C10 | N11 | C22 | H9 | 180.0° | 0.1° |
| C10 | N11 | C22 | H10 | 60.0° | 119.9° |
| C10 | N11 | C22 | H11 | 60.0° | 120.1° |
| C05 | N11 | C10 | O12 | 179.0° | 179.5° |
| C05 | N11 | C10 | C09 | 1.8° | 0.9° |
| N11 | C05 | C04 | C03 | 178.8° | 179.6° |
| N11 | C05 | C04 | N08 | 4.4° | 0.5° |
| C05 | N11 | C22 | H9 | 1.9° | 180.0° |
| C05 | N11 | C22 | H10 | 121.9° | 59.9° |
| C05 | N11 | C22 | H11 | 118.2° | 60.1° |
| N11 | C05 | C06 | H16 | 1.4° | 0.5° |
| C13 | C09 | C10 | O12 | 87.8° | 94.4° |
| C13 | C09 | C10 | C25 | 104.3° | 119.8° |
| C13 | C09 | C10 | N08 | 133.4° | 120.2° |
| C13 | C09 | C25 | N08 | 122.8° | 119.7° |
| C13 | C09 | N08 | C04 | 76.9° | 69.4° |
| C13 | C09 | N08 | C14 | 118.3° | 165.9° |
| C09 | C13 | H1 | H2 | 120.0° | 120.0° |
| C09 | C13 | H1 | H3 | 120.0° | 120.0° |
| C09 | C13 | H2 | H3 | 120.0° | 120.0° |
| C13 | C09 | C25 | H23 | 180.0° | 50.9° |
| C13 | C09 | C25 | H24 | 60.0° | 69.0° |
| C13 | C09 | C25 | H25 | 60.0° | 171.0° |
| O12 | C10 | C09 | C25 | 16.4° | 25.4° |
| O12 | C10 | C09 | N08 | 138.8° | 145.4° |
| C10 | C09 | C25 | N08 | 121.8° | 120.4° |
| C10 | C09 | N08 | C04 | 55.4° | 50.8° |
| C10 | C09 | N08 | C14 | 109.4° | 73.9° |
| C10 | C09 | C13 | H1 | 180.0° | 60.0° |
| C10 | C09 | C13 | H2 | 60.0° | 179.9° |
| C10 | C09 | C13 | H3 | 60.0° | 60.0° |
| C10 | C09 | C25 | H23 | 64.6° | 68.9° |
| C10 | C09 | C25 | H24 | 55.4° | 171.2° |
| C10 | C09 | C25 | H25 | 175.4° | 51.2° |
| C05 | C04 | C03 | C02 | 2.2° | 0.1° |
| C05 | C04 | N08 | C09 | 34.8° | 35.9° |
| C05 | C04 | C03 | N08 | 176.7° | 179.9° |
| C05 | C04 | N08 | C14 | 129.4° | 88.8° |
| C05 | C04 | C03 | H15 | 177.8° | 179.9° |
| C04 | C05 | C06 | H16 | 177.2° | 179.8° |
| N07 | C02 | C03 | C04 | 178.5° | 179.9° |
| C02 | N07 | S26 | H17 | 120.8° | 179.9° |
| C02 | N07 | S26 | O28 | 84.0° | 178.5° |
| C02 | N07 | S26 | O27 | 164.7° | 48.5° |
| C02 | N07 | S26 | C15 | 45.6° | 65.0° |
| N07 | C02 | C01 | H14 | 1.0° | 0.1° |
| N07 | C02 | C03 | H15 | 1.5° | 0.1° |
| C02 | C03 | C04 | H15 | 180.0° | 180.0° |
| C02 | C03 | C04 | N08 | 178.8° | 179.8° |
| C03 | C02 | N07 | S26 | 31.0° | 135.1° |
| C03 | C02 | C01 | H14 | 179.9° | 179.9° |
| C03 | C02 | N07 | H17 | 89.9° | 45.0° |
| C25 | C09 | N08 | C04 | 169.7° | 170.8° |
| C25 | C09 | N08 | C14 | 4.9° | 46.1° |
| C25 | C09 | C13 | H1 | 74.7° | 179.7° |
| C25 | C09 | C13 | H2 | 45.3° | 60.3° |
| C25 | C09 | C13 | H3 | 165.3° | 59.8° |
| C09 | C25 | H23 | H24 | 120.0° | 120.0° |
| C09 | C25 | H23 | H25 | 120.0° | 120.0° |
| C09 | C25 | H24 | H25 | 120.0° | 120.0° |
| C09 | N08 | C04 | C03 | 141.9° | 144.2° |
| C09 | N08 | C04 | C14 | 164.2° | 124.7° |
| C09 | N08 | C14 | C24 | 82.8° | 165.8° |
| C09 | N08 | C14 | C23 | 153.0° | 125.6° |
| N08 | C09 | C13 | H1 | 47.5° | 60.6° |
| N08 | C09 | C13 | H2 | 167.5° | 59.4° |
| N08 | C09 | C13 | H3 | 72.5° | 179.4° |
| C09 | N08 | C14 | H18 | 61.6° | 20.1° |
| N08 | C09 | C25 | H23 | 57.2° | 170.7° |
| N08 | C09 | C25 | H24 | 177.2° | 50.7° |
| N08 | C09 | C25 | H25 | 62.8° | 69.3° |
| C03 | C04 | N08 | C14 | 53.9° | 91.1° |
| C04 | N08 | C14 | C24 | 114.8° | 68.9° |
| C04 | N08 | C14 | C23 | 44.6° | 0.3° |
| N08 | C04 | C03 | H15 | 1.2° | 0.2° |
| C04 | N08 | C14 | H18 | 100.9° | 145.3° |
| N07 | S26 | O28 | O27 | 113.8° | 123.0° |
| N07 | S26 | O28 | C15 | 134.9° | 114.1° |
| N07 | S26 | O27 | C15 | 127.5° | 114.1° |
| N07 | S26 | C15 | C20 | 40.1° | 89.7° |
| N07 | S26 | C15 | C16 | 141.3° | 90.0° |
| N08 | C14 | C24 | C23 | 109.9° | 107.4° |
| N08 | C14 | C24 | H18 | 144.7° | 145.0° |
| N08 | C14 | C23 | H18 | 145.8° | 144.9° |
| N08 | C14 | C24 | H12 | 140.6° | 145.0° |
| N08 | C14 | C24 | H13 | 0.4° | 0.0° |
| N08 | C14 | C23 | H21 | 0.7° | 145.0° |
| N08 | C14 | C23 | H22 | 141.7° | 0.0° |
| O28 | S26 | O27 | C15 | 112.9° | 122.9° |
| O28 | S26 | C15 | C20 | 172.3° | 156.8° |
| O28 | S26 | C15 | C16 | 9.1° | 23.5° |
| O28 | S26 | N07 | H17 | 36.9° | 1.5° |
| O27 | S26 | C15 | C20 | 79.1° | 23.9° |
| O27 | S26 | C15 | C16 | 99.5° | 156.4° |
| O27 | S26 | N07 | H17 | 74.5° | 131.4° |
| S26 | C15 | C20 | C16 | 178.6° | 179.7° |
| S26 | C15 | C20 | C19 | 178.5° | 179.7° |
| S26 | C15 | C16 | C17 | 179.1° | 179.7° |
| S26 | C15 | C20 | H5 | 1.5° | 0.3° |
| C15 | S26 | N07 | H17 | 166.4° | 115.0° |
| S26 | C15 | C16 | H19 | 0.9° | 0.2° |
| C24 | C14 | C23 | H18 | 105.4° | 107.5° |
| C14 | C24 | C23 | H12 | 109.5° | 107.4° |
| C14 | C24 | C23 | H13 | 109.5° | 107.5° |
| C14 | C24 | H12 | H13 | 144.7° | 145.7° |
| C24 | C14 | C23 | H21 | 109.5° | 107.5° |
| C24 | C14 | C23 | H22 | 109.5° | 107.5° |
| C14 | C23 | H21 | H22 | 144.7° | 145.7° |
| C23 | C24 | H12 | H13 | 144.7° | 145.7° |
| C24 | C23 | H21 | H22 | 144.6° | 145.7° |
| C15 | C20 | C19 | H5 | 180.0° | 179.9° |
| C15 | C20 | C19 | C18 | 0.6° | 0.0° |
| C20 | C15 | C16 | C17 | 0.5° | 0.0° |
| C20 | C15 | C16 | H19 | 179.6° | 179.9° |
| C15 | C20 | C19 | H20 | 179.4° | 179.9° |
| C19 | C20 | C15 | C16 | 0.1° | 0.0° |
| C20 | C19 | C18 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.4° | 0.0° |
| C20 | C19 | C18 | C21 | 179.8° | 179.9° |
| C15 | C16 | C17 | H19 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.6° | 0.0° |
| C15 | C16 | C17 | H4 | 179.3° | 180.0° |
| C16 | C15 | C20 | H5 | 179.9° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C19 | C18 | C17 | C21 | 179.8° | 180.0° |
| C19 | C18 | C17 | H4 | 179.8° | 180.0° |
| C18 | C19 | C20 | H5 | 179.4° | 180.0° |
| C19 | C18 | C21 | H6 | 90.1° | 90.0° |
| C19 | C18 | C21 | H7 | 149.9° | 30.0° |
| C19 | C18 | C21 | H8 | 30.0° | 150.0° |
| C16 | C17 | C18 | H4 | 180.0° | 180.0° |
| C16 | C17 | C18 | C21 | 179.6° | 179.9° |
| C17 | C18 | C21 | H6 | 90.1° | 90.0° |
| C17 | C18 | C21 | H7 | 29.9° | 150.0° |
| C17 | C18 | C21 | H8 | 149.9° | 30.0° |
| C18 | C17 | C16 | H19 | 179.4° | 179.9° |
| C17 | C18 | C19 | H20 | 179.6° | 179.9° |
| C21 | C18 | C17 | H4 | 0.4° | 0.0° |
| C18 | C21 | H6 | H7 | 120.0° | 120.0° |
| C18 | C21 | H6 | H8 | 120.0° | 120.0° |
| C18 | C21 | H7 | H8 | 120.0° | 120.0° |
| C21 | C18 | C19 | H20 | 0.2° | 0.1° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H4 | C17 | C16 | H19 | 0.6° | 0.0° |
| H5 | C20 | C19 | H20 | 0.6° | 0.0° |
| H6 | C21 | H7 | H8 | 120.0° | 120.0° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H12 | C24 | C14 | H18 | 4.1° | 0.0° |
| H12 | C24 | C23 | H21 | 141.0° | 0.1° |
| H12 | C24 | C23 | H22 | 0.0° | 145.1° |
| H13 | C24 | C14 | H18 | 145.1° | 145.0° |
| H13 | C24 | C23 | H21 | 0.0° | 145.0° |
| H13 | C24 | C23 | H22 | 141.0° | 0.0° |
| H14 | C01 | C06 | H16 | 1.1° | 0.1° |
| H18 | C14 | C23 | H21 | 145.2° | 0.1° |
| H18 | C14 | C23 | H22 | 4.2° | 145.0° |
| H23 | C25 | H24 | H25 | 120.0° | 120.0° |
