F6I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F03 | C02 | sing | 1.40Å | 1.35Å | |
| O12 | S11 | doub | 1.42Å | 1.49Å | |
| C09 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| O13 | S11 | doub | 1.42Å | 1.47Å | |
| C07 | S11 | sing | 1.76Å | 1.79Å | |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C02 | sing | 1.51Å | 1.48Å | |
| S11 | N14 | sing | 1.66Å | 1.68Å | |
| C02 | F01 | sing | 1.40Å | 1.34Å | |
| C02 | F04 | sing | 1.40Å | 1.37Å | |
| N14 | C31 | sing | 1.47Å | 1.45Å | |
| N14 | C15 | sing | 1.47Å | 1.48Å | |
| O18 | C17 | doub | 1.21Å | 1.18Å | |
| C31 | C30 | sing | 1.51Å | 1.52Å | |
| N19 | C17 | sing | 1.35Å | 1.47Å | |
| N19 | C20 | sing | 1.39Å | 1.46Å | |
| C17 | C16 | sing | 1.51Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.57Å | |
| C20 | N24 | doub | 1.31Å | 1.36Å | Aromatic |
| C20 | N21 | sing | 1.35Å | 1.35Å | Aromatic |
| C30 | C29 | doub | 1.39Å | 1.44Å | Aromatic |
| C30 | C25 | sing | 1.38Å | 1.35Å | Aromatic |
| N24 | N23 | sing | 1.28Å | 1.37Å | Aromatic |
| C16 | C25 | sing | 1.51Å | 1.58Å | |
| N21 | N22 | sing | 1.41Å | 1.37Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.43Å | Aromatic |
| N23 | N22 | doub | 1.29Å | 1.33Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| N19 | H10 | sing | 0.97Å | 1.00Å | |
| N21 | H11 | sing | 0.97Å | 1.00Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F03 | C02 | C05 | 108.2° | 109.5° |
| F03 | C02 | F01 | 109.1° | 109.5° |
| F03 | C02 | F04 | 109.9° | 109.5° |
| O12 | S11 | O13 | 103.6° | 123.2° |
| O12 | S11 | C07 | 108.6° | 106.4° |
| O12 | S11 | N14 | 116.6° | 106.4° |
| C08 | C09 | C10 | 120.4° | 120.0° |
| C09 | C08 | C07 | 119.3° | 120.0° |
| C09 | C08 | H7 | 120.4° | 120.0° |
| C08 | C09 | H8 | 119.8° | 120.0° |
| C09 | C10 | C05 | 118.4° | 120.0° |
| C09 | C10 | H1 | 120.8° | 120.0° |
| C10 | C09 | H8 | 119.8° | 120.0° |
| C08 | C07 | S11 | 119.6° | 120.0° |
| C08 | C07 | C06 | 121.7° | 120.0° |
| C07 | C08 | H7 | 120.4° | 120.0° |
| C10 | C05 | C06 | 122.6° | 120.0° |
| C10 | C05 | C02 | 120.5° | 120.0° |
| C05 | C10 | H1 | 120.8° | 120.0° |
| O13 | S11 | C07 | 109.1° | 106.4° |
| O13 | S11 | N14 | 104.0° | 106.4° |
| S11 | C07 | C06 | 118.7° | 120.0° |
| C07 | S11 | N14 | 114.1° | 107.2° |
| C07 | C06 | C05 | 117.6° | 120.0° |
| C07 | C06 | H6 | 121.2° | 120.0° |
| C06 | C05 | C02 | 116.8° | 120.0° |
| C05 | C06 | H6 | 121.2° | 120.0° |
| C05 | C02 | F01 | 106.6° | 109.5° |
| C05 | C02 | F04 | 108.0° | 109.5° |
| S11 | N14 | C31 | 121.9° | 121.3° |
| S11 | N14 | C15 | 121.2° | 121.4° |
| F01 | C02 | F04 | 114.8° | 109.5° |
| C31 | N14 | C15 | 116.8° | 117.3° |
| N14 | C31 | C30 | 115.2° | 109.7° |
| N14 | C31 | H14 | 108.0° | 109.4° |
| N14 | C31 | H15 | 108.0° | 109.4° |
| N14 | C15 | C16 | 113.5° | 107.9° |
| N14 | C15 | H2 | 108.5° | 109.8° |
| N14 | C15 | H3 | 108.5° | 109.7° |
| O18 | C17 | N19 | 115.6° | 120.0° |
| O18 | C17 | C16 | 118.5° | 120.0° |
| C31 | C30 | C29 | 117.0° | 117.8° |
| C31 | C30 | C25 | 121.8° | 122.4° |
| C30 | C31 | H14 | 108.0° | 109.5° |
| C30 | C31 | H15 | 108.0° | 109.5° |
| C17 | N19 | C20 | 124.3° | 120.0° |
| N19 | C17 | C16 | 125.9° | 120.0° |
| C17 | N19 | H10 | 117.8° | 120.0° |
| N19 | C20 | N24 | 128.4° | 126.5° |
| N19 | C20 | N21 | 124.4° | 126.5° |
| C20 | N19 | H10 | 117.9° | 120.0° |
| C17 | C16 | C15 | 109.1° | 109.2° |
| C17 | C16 | C25 | 110.4° | 109.2° |
| C17 | C16 | H9 | 108.7° | 109.2° |
| C15 | C16 | C25 | 111.6° | 110.8° |
| C16 | C15 | H2 | 108.5° | 109.8° |
| C16 | C15 | H3 | 108.4° | 109.8° |
| C15 | C16 | H9 | 108.6° | 109.2° |
| N24 | C20 | N21 | 107.2° | 107.1° |
| C20 | N24 | N23 | 108.4° | 110.5° |
| C20 | N21 | N22 | 108.3° | 105.3° |
| C20 | N21 | H11 | 125.9° | 127.3° |
| C29 | C30 | C25 | 121.1° | 119.8° |
| C30 | C29 | C28 | 119.7° | 120.5° |
| C30 | C29 | H13 | 120.1° | 119.7° |
| C30 | C25 | C16 | 122.6° | 122.9° |
| C30 | C25 | C26 | 118.1° | 119.5° |
| N24 | N23 | N22 | 108.1° | 110.3° |
| C16 | C25 | C26 | 119.3° | 117.6° |
| C25 | C16 | H9 | 108.4° | 109.2° |
| N21 | N22 | N23 | 108.1° | 106.8° |
| N22 | N21 | H11 | 125.8° | 127.4° |
| C29 | C28 | C27 | 119.6° | 119.7° |
| C29 | C28 | H5 | 120.2° | 120.1° |
| C28 | C29 | H13 | 120.1° | 119.8° |
| C25 | C26 | C27 | 120.6° | 120.6° |
| C25 | C26 | H4 | 119.7° | 119.7° |
| C28 | C27 | C26 | 120.8° | 119.8° |
| C27 | C28 | H5 | 120.1° | 120.1° |
| C28 | C27 | H12 | 119.6° | 120.1° |
| C27 | C26 | H4 | 119.7° | 119.7° |
| C26 | C27 | H12 | 119.6° | 120.1° |
| H2 | C15 | H3 | 109.5° | 109.8° |
| H14 | C31 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F03 | C02 | C05 | C10 | 91.2° | 125.1° |
| F03 | C02 | C05 | C06 | 87.9° | 55.0° |
| F03 | C02 | C05 | F01 | 117.2° | 120.0° |
| F03 | C02 | C05 | F04 | 118.9° | 120.0° |
| F03 | C02 | F01 | F04 | 123.8° | 120.0° |
| O12 | S11 | C07 | C08 | 37.4° | 28.5° |
| O12 | S11 | O13 | C07 | 115.5° | 123.0° |
| O12 | S11 | O13 | N14 | 122.4° | 122.9° |
| O12 | S11 | C07 | N14 | 131.9° | 113.5° |
| O12 | S11 | C07 | C06 | 140.7° | 151.5° |
| O12 | S11 | N14 | C31 | 40.5° | 163.8° |
| O12 | S11 | N14 | C15 | 142.6° | 16.3° |
| C08 | C09 | C10 | H8 | 180.0° | 179.3° |
| C09 | C08 | C07 | H7 | 180.0° | 179.7° |
| C08 | C09 | C10 | C05 | 0.0° | 0.6° |
| C09 | C08 | C07 | S11 | 179.1° | 179.7° |
| C09 | C08 | C07 | C06 | 1.1° | 0.3° |
| C08 | C09 | C10 | H1 | 179.9° | 179.7° |
| C10 | C09 | C08 | C07 | 0.6° | 0.7° |
| C09 | C10 | C05 | H1 | 180.0° | 179.7° |
| C09 | C10 | C05 | C06 | 0.0° | 0.3° |
| C09 | C10 | C05 | C02 | 179.1° | 179.7° |
| C10 | C09 | C08 | H7 | 179.4° | 179.6° |
| C08 | C07 | S11 | O13 | 149.7° | 161.5° |
| C08 | C07 | S11 | C06 | 178.1° | 180.0° |
| C08 | C07 | C06 | C05 | 1.1° | 0.0° |
| C08 | C07 | S11 | N14 | 94.5° | 85.0° |
| C08 | C07 | C06 | H6 | 178.9° | 180.0° |
| C07 | C08 | C09 | H8 | 179.5° | 180.0° |
| C10 | C05 | C06 | C07 | 0.6° | 0.1° |
| C10 | C05 | C06 | C02 | 179.1° | 180.0° |
| C10 | C05 | C02 | F01 | 26.0° | 5.0° |
| C10 | C05 | C02 | F04 | 149.9° | 115.0° |
| C10 | C05 | C06 | H6 | 179.5° | 180.0° |
| C05 | C10 | C09 | H8 | 180.0° | 180.0° |
| O13 | S11 | C07 | N14 | 115.8° | 113.5° |
| O13 | S11 | C07 | C06 | 28.4° | 18.5° |
| O13 | S11 | N14 | C31 | 153.8° | 30.9° |
| O13 | S11 | N14 | C15 | 29.3° | 149.1° |
| S11 | C07 | C06 | C05 | 179.1° | 180.0° |
| C07 | S11 | N14 | C31 | 87.4° | 82.7° |
| C07 | S11 | N14 | C15 | 89.5° | 97.3° |
| S11 | C07 | C06 | H6 | 0.9° | 0.0° |
| S11 | C07 | C08 | H7 | 0.9° | 0.0° |
| C07 | C06 | C05 | H6 | 180.0° | 180.0° |
| C07 | C06 | C05 | C02 | 179.7° | 180.0° |
| C06 | C07 | S11 | N14 | 87.5° | 95.0° |
| C06 | C07 | C08 | H7 | 178.9° | 179.9° |
| C06 | C05 | C02 | F01 | 154.8° | 175.0° |
| C06 | C05 | C02 | F04 | 31.0° | 65.0° |
| C06 | C05 | C10 | H1 | 179.9° | 180.0° |
| C05 | C02 | F01 | F04 | 119.5° | 120.0° |
| C02 | C05 | C10 | H1 | 0.9° | 0.0° |
| C02 | C05 | C06 | H6 | 0.4° | 0.0° |
| S11 | N14 | C31 | C15 | 177.0° | 180.0° |
| S11 | N14 | C31 | C30 | 142.4° | 135.6° |
| S11 | N14 | C15 | C16 | 131.2° | 115.8° |
| S11 | N14 | C15 | H2 | 108.2° | 124.6° |
| S11 | N14 | C15 | H3 | 10.6° | 3.8° |
| S11 | N14 | C31 | H14 | 21.6° | 15.5° |
| S11 | N14 | C31 | H15 | 96.7° | 104.3° |
| N14 | C31 | C30 | H14 | 120.8° | 120.0° |
| N14 | C31 | C30 | H15 | 120.8° | 120.0° |
| C31 | N14 | C15 | C16 | 51.8° | 64.3° |
| N14 | C31 | C30 | C29 | 165.0° | 169.1° |
| N14 | C31 | C30 | C25 | 13.9° | 11.5° |
| C31 | N14 | C15 | H2 | 68.8° | 55.4° |
| C31 | N14 | C15 | H3 | 172.4° | 176.1° |
| N14 | C31 | H14 | H15 | 117.4° | 119.8° |
| C15 | N14 | C31 | C30 | 40.6° | 44.4° |
| N14 | C15 | C16 | C17 | 87.8° | 72.9° |
| N14 | C15 | C16 | H2 | 120.6° | 119.6° |
| N14 | C15 | C16 | H3 | 120.6° | 119.6° |
| N14 | C15 | C16 | C25 | 34.6° | 47.5° |
| N14 | C15 | H2 | H3 | 118.2° | 120.7° |
| N14 | C15 | C16 | H9 | 154.0° | 167.8° |
| C15 | N14 | C31 | H14 | 161.4° | 164.5° |
| C15 | N14 | C31 | H15 | 80.2° | 75.6° |
| O18 | C17 | N19 | C16 | 179.5° | 180.0° |
| O18 | C17 | N19 | C20 | 179.2° | 5.2° |
| O18 | C17 | C16 | C15 | 104.3° | 4.4° |
| O18 | C17 | C16 | C25 | 18.7° | 125.7° |
| O18 | C17 | C16 | H9 | 137.5° | 114.9° |
| O18 | C17 | N19 | H10 | 0.7° | 174.7° |
| C31 | C30 | C29 | C25 | 178.9° | 179.4° |
| C31 | C30 | C25 | C16 | 0.3° | 1.4° |
| C31 | C30 | C29 | C28 | 178.2° | 178.9° |
| C31 | C30 | C25 | C26 | 178.3° | 178.7° |
| C31 | C30 | C29 | H13 | 1.8° | 1.1° |
| C30 | C31 | H14 | H15 | 117.4° | 120.0° |
| C17 | N19 | C20 | H10 | 180.0° | 179.9° |
| N19 | C17 | C16 | C15 | 76.2° | 175.6° |
| C17 | N19 | C20 | N24 | 36.9° | 174.3° |
| C17 | N19 | C20 | N21 | 143.5° | 6.1° |
| N19 | C17 | C16 | C25 | 160.7° | 54.2° |
| N19 | C17 | C16 | H9 | 42.0° | 65.1° |
| C20 | N19 | C17 | C16 | 0.2° | 174.8° |
| N19 | C20 | N24 | N21 | 179.7° | 179.7° |
| N19 | C20 | N24 | N23 | 179.6° | 179.7° |
| N19 | C20 | N21 | N22 | 179.9° | 179.7° |
| N19 | C20 | N21 | H11 | 0.1° | 0.4° |
| C17 | C16 | C15 | C25 | 122.3° | 120.3° |
| C17 | C16 | C15 | H9 | 118.3° | 119.3° |
| C17 | C16 | C25 | C30 | 111.3° | 100.2° |
| C17 | C16 | C25 | H9 | 118.9° | 119.3° |
| C17 | C16 | C25 | C26 | 67.3° | 79.7° |
| C17 | C16 | C15 | H2 | 151.7° | 167.5° |
| C17 | C16 | C15 | H3 | 32.8° | 46.7° |
| C16 | C17 | N19 | H10 | 179.8° | 5.3° |
| C15 | C16 | C25 | C30 | 10.3° | 20.1° |
| C15 | C16 | C25 | H9 | 119.5° | 120.3° |
| C15 | C16 | C25 | C26 | 171.1° | 160.0° |
| C16 | C15 | H2 | H3 | 118.2° | 120.8° |
| N24 | C20 | N21 | N22 | 0.2° | 0.0° |
| C20 | N24 | N23 | N22 | 0.9° | 0.0° |
| N24 | C20 | N19 | H10 | 143.2° | 5.6° |
| N24 | C20 | N21 | H11 | 179.8° | 180.0° |
| N21 | C20 | N24 | N23 | 0.7° | 0.0° |
| C20 | N21 | N22 | H11 | 180.0° | 179.9° |
| C20 | N21 | N22 | N23 | 0.3° | 0.0° |
| N21 | C20 | N19 | H10 | 36.5° | 174.0° |
| C29 | C30 | C25 | C16 | 179.1° | 179.3° |
| C30 | C29 | C28 | H13 | 180.0° | 180.0° |
| C29 | C30 | C25 | C26 | 0.5° | 0.7° |
| C30 | C29 | C28 | C27 | 0.5° | 0.0° |
| C30 | C29 | C28 | H5 | 179.5° | 180.0° |
| C29 | C30 | C31 | H14 | 44.1° | 49.1° |
| C29 | C30 | C31 | H15 | 74.2° | 70.9° |
| C30 | C25 | C16 | C26 | 178.6° | 180.0° |
| C25 | C30 | C29 | C28 | 0.6° | 0.5° |
| C30 | C25 | C26 | C27 | 0.1° | 0.4° |
| C30 | C25 | C26 | H4 | 179.9° | 179.6° |
| C30 | C25 | C16 | H9 | 129.8° | 140.4° |
| C25 | C30 | C29 | H13 | 179.4° | 179.5° |
| C25 | C30 | C31 | H14 | 134.7° | 131.6° |
| C25 | C30 | C31 | H15 | 106.9° | 108.5° |
| N24 | N23 | N22 | N21 | 0.7° | 0.0° |
| C16 | C25 | C26 | C27 | 178.8° | 179.5° |
| C25 | C16 | C15 | H2 | 86.0° | 72.2° |
| C25 | C16 | C15 | H3 | 155.2° | 167.0° |
| C16 | C25 | C26 | H4 | 1.2° | 0.4° |
| C29 | C28 | C27 | H5 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.1° | 0.2° |
| C29 | C28 | C27 | H12 | 179.9° | 179.7° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | H4 | 180.0° | 180.0° |
| C26 | C25 | C16 | H9 | 51.6° | 39.6° |
| C25 | C26 | C27 | H12 | 179.9° | 179.9° |
| N23 | N22 | N21 | H11 | 179.7° | 180.0° |
| C28 | C27 | C26 | H12 | 180.0° | 179.9° |
| C28 | C27 | C26 | H4 | 179.9° | 180.0° |
| C27 | C28 | C29 | H13 | 179.6° | 180.0° |
| C26 | C27 | C28 | H5 | 179.9° | 179.7° |
| H1 | C10 | C09 | H8 | 0.0° | 0.3° |
| H2 | C15 | C16 | H9 | 33.4° | 48.2° |
| H3 | C15 | C16 | H9 | 85.5° | 72.6° |
| H4 | C26 | C27 | H12 | 0.1° | 0.1° |
| H5 | C28 | C27 | H12 | 0.1° | 0.3° |
| H5 | C28 | C29 | H13 | 0.4° | 0.0° |
| H7 | C08 | C09 | H8 | 0.6° | 0.3° |






