RF3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C40 | sing | 1.38Å | 1.35Å | Aromatic |
| C01 | C40 | doub | 1.33Å | 1.32Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C36 | C38 | doub | 1.33Å | 1.32Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| S35 | C36 | sing | 1.76Å | 1.67Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| S35 | C01 | sing | 1.76Å | 1.75Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| C05 | C02 | sing | 1.51Å | 1.54Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H02A | sing | 1.09Å | 1.10Å | |
| O07 | C05 | doub | 1.21Å | 1.19Å | |
| C05 | N06 | sing | 1.35Å | 1.33Å | |
| C08 | N06 | sing | 1.47Å | 1.49Å | |
| N06 | C19 | sing | 1.47Å | 1.48Å | |
| C19 | C16 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C08 | C11 | sing | 1.53Å | 1.49Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C11 | C14 | sing | 1.53Å | 1.50Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C14 | C22 | sing | 1.51Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| N26 | C22 | doub | 1.31Å | 1.29Å | Aromatic |
| C22 | O23 | sing | 1.34Å | 1.29Å | Aromatic |
| N26 | C25 | sing | 1.35Å | 1.33Å | Aromatic |
| O23 | N24 | sing | 1.21Å | 1.35Å | Aromatic |
| C25 | N24 | doub | 1.31Å | 1.29Å | Aromatic |
| C27 | C25 | sing | 1.48Å | 1.39Å | Aromatic |
| S34 | C27 | sing | 1.76Å | 1.63Å | Aromatic |
| C27 | C28 | doub | 1.35Å | 1.35Å | Aromatic |
| C30 | C28 | sing | 1.38Å | 1.32Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | C30 | doub | 1.34Å | 1.33Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| S34 | C32 | sing | 1.76Å | 1.69Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C40 | C01 | 114.9° | 114.9° |
| C38 | C40 | H40 | 122.5° | 122.5° |
| C40 | C38 | C36 | 115.3° | 114.9° |
| C40 | C38 | H38 | 122.3° | 122.5° |
| C01 | C40 | H40 | 122.6° | 122.5° |
| C40 | C01 | S35 | 107.7° | 109.6° |
| C40 | C01 | C02 | 128.5° | 125.2° |
| C36 | C38 | H38 | 122.4° | 122.6° |
| C38 | C36 | S35 | 109.8° | 109.6° |
| C38 | C36 | H36 | 125.1° | 125.2° |
| S35 | C36 | H36 | 125.1° | 125.2° |
| C36 | S35 | C01 | 92.3° | 91.0° |
| S35 | C01 | C02 | 123.8° | 125.2° |
| C01 | C02 | C05 | 117.1° | 109.5° |
| C01 | C02 | H02 | 107.0° | 109.5° |
| C01 | C02 | H02A | 105.2° | 109.5° |
| C05 | C02 | H02 | 107.0° | 109.4° |
| C05 | C02 | H02A | 105.2° | 109.4° |
| C02 | C05 | O07 | 120.6° | 120.0° |
| C02 | C05 | N06 | 117.0° | 120.0° |
| H02 | C02 | H02A | 115.7° | 109.5° |
| O07 | C05 | N06 | 122.2° | 120.0° |
| C05 | N06 | C08 | 119.3° | 120.7° |
| C05 | N06 | C19 | 120.2° | 120.6° |
| C08 | N06 | C19 | 120.0° | 118.7° |
| N06 | C08 | C11 | 114.9° | 108.8° |
| N06 | C08 | H08 | 107.7° | 109.5° |
| N06 | C08 | H08A | 106.4° | 109.6° |
| N06 | C19 | C16 | 114.1° | 108.8° |
| N06 | C19 | H19 | 108.0° | 109.6° |
| N06 | C19 | H19A | 106.9° | 109.6° |
| C16 | C19 | H19 | 108.0° | 109.5° |
| C16 | C19 | H19A | 106.9° | 109.6° |
| C19 | C16 | C14 | 111.3° | 109.3° |
| C19 | C16 | H16 | 108.8° | 109.5° |
| C19 | C16 | H16A | 108.4° | 109.5° |
| H19 | C19 | H19A | 113.2° | 109.8° |
| C14 | C16 | H16 | 108.9° | 109.5° |
| C14 | C16 | H16A | 108.4° | 109.5° |
| C16 | C14 | C11 | 109.8° | 109.4° |
| C16 | C14 | C22 | 111.7° | 109.3° |
| C16 | C14 | H14 | 107.7° | 109.8° |
| H16 | C16 | H16A | 110.9° | 109.5° |
| C11 | C08 | H08 | 107.7° | 109.6° |
| C11 | C08 | H08A | 106.4° | 109.6° |
| C08 | C11 | C14 | 111.6° | 109.3° |
| C08 | C11 | H11 | 108.8° | 109.5° |
| C08 | C11 | H11A | 108.3° | 109.5° |
| H08 | C08 | H08A | 113.8° | 109.6° |
| C14 | C11 | H11 | 108.8° | 109.5° |
| C14 | C11 | H11A | 108.3° | 109.4° |
| C11 | C14 | C22 | 109.4° | 109.4° |
| C11 | C14 | H14 | 110.1° | 109.4° |
| H11 | C11 | H11A | 111.2° | 109.5° |
| C22 | C14 | H14 | 108.2° | 109.5° |
| C14 | C22 | N26 | 127.9° | 126.4° |
| C14 | C22 | O23 | 122.7° | 126.4° |
| N26 | C22 | O23 | 109.4° | 107.2° |
| C22 | N26 | C25 | 108.1° | 105.6° |
| C22 | O23 | N24 | 106.9° | 110.0° |
| N26 | C25 | N24 | 107.9° | 107.1° |
| N26 | C25 | C27 | 125.7° | 126.5° |
| O23 | N24 | C25 | 107.8° | 110.1° |
| N24 | C25 | C27 | 126.5° | 126.5° |
| C25 | C27 | S34 | 118.8° | 125.3° |
| C25 | C27 | C28 | 132.2° | 125.3° |
| S34 | C27 | C28 | 109.0° | 109.5° |
| C27 | S34 | C32 | 95.3° | 91.0° |
| C27 | C28 | C30 | 113.0° | 114.7° |
| C27 | C28 | H28 | 123.5° | 122.6° |
| C30 | C28 | H28 | 123.5° | 122.7° |
| C28 | C30 | C32 | 116.9° | 115.1° |
| C28 | C30 | H30 | 121.6° | 122.4° |
| C32 | C30 | H30 | 121.6° | 122.5° |
| C30 | C32 | S34 | 105.8° | 109.7° |
| C30 | C32 | H32 | 127.1° | 125.2° |
| S34 | C32 | H32 | 127.1° | 125.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C40 | C01 | H40 | 180.0° | 179.8° |
| C40 | C38 | C36 | H38 | 180.0° | 179.9° |
| C40 | C38 | C36 | S35 | 0.3° | 0.1° |
| C40 | C38 | C36 | H36 | 179.7° | 180.0° |
| C38 | C40 | C01 | S35 | 0.2° | 0.3° |
| C38 | C40 | C01 | C02 | 176.7° | 179.9° |
| C01 | C40 | C38 | C36 | 0.0° | 0.3° |
| C01 | C40 | C38 | H38 | 179.9° | 179.8° |
| C40 | C01 | S35 | C36 | 0.3° | 0.3° |
| C40 | C01 | S35 | C02 | 177.1° | 179.8° |
| C40 | C01 | C02 | C05 | 143.1° | 89.7° |
| C40 | C01 | C02 | H02 | 23.1° | 150.4° |
| C40 | C01 | C02 | H02A | 100.4° | 30.3° |
| H40 | C40 | C38 | C36 | 179.9° | 180.0° |
| H40 | C40 | C38 | H38 | 0.1° | 0.1° |
| H40 | C40 | C01 | S35 | 179.8° | 179.9° |
| H40 | C40 | C01 | C02 | 3.3° | 0.1° |
| C38 | C36 | S35 | H36 | 180.0° | 180.0° |
| C38 | C36 | S35 | C01 | 0.3° | 0.1° |
| H38 | C38 | C36 | S35 | 179.7° | 180.0° |
| H38 | C38 | C36 | H36 | 0.3° | 0.1° |
| C36 | S35 | C01 | C02 | 176.8° | 180.0° |
| H36 | C36 | S35 | C01 | 179.7° | 179.9° |
| S35 | C01 | C02 | C05 | 40.4° | 90.1° |
| S35 | C01 | C02 | H02 | 160.4° | 29.9° |
| S35 | C01 | C02 | H02A | 76.0° | 150.0° |
| C01 | C02 | C05 | H02 | 120.0° | 120.0° |
| C01 | C02 | C05 | H02A | 116.5° | 120.0° |
| C01 | C02 | H02 | H02A | 116.9° | 120.1° |
| C01 | C02 | C05 | O07 | 14.3° | 0.0° |
| C01 | C02 | C05 | N06 | 170.9° | 180.0° |
| C05 | C02 | H02 | H02A | 116.9° | 119.9° |
| C02 | C05 | O07 | N06 | 174.4° | 180.0° |
| C02 | C05 | N06 | C08 | 177.5° | 0.3° |
| C02 | C05 | N06 | C19 | 5.9° | 180.0° |
| H02 | C02 | C05 | O07 | 134.3° | 120.0° |
| H02 | C02 | C05 | N06 | 50.9° | 60.0° |
| H02A | C02 | C05 | O07 | 102.1° | 120.0° |
| H02A | C02 | C05 | N06 | 72.6° | 59.9° |
| O07 | C05 | N06 | C08 | 7.9° | 179.7° |
| O07 | C05 | N06 | C19 | 179.4° | 0.0° |
| C05 | N06 | C08 | C19 | 171.6° | 179.7° |
| C05 | N06 | C19 | C16 | 158.4° | 126.4° |
| C05 | N06 | C19 | H19 | 81.6° | 113.9° |
| C05 | N06 | C19 | H19A | 40.4° | 6.6° |
| C05 | N06 | C08 | C11 | 157.2° | 126.4° |
| C05 | N06 | C08 | H08 | 37.2° | 6.5° |
| C05 | N06 | C08 | H08A | 85.3° | 113.8° |
| C08 | N06 | C19 | C16 | 30.1° | 53.3° |
| C08 | N06 | C19 | H19 | 89.9° | 66.4° |
| C08 | N06 | C19 | H19A | 148.1° | 173.1° |
| N06 | C08 | C11 | H08 | 120.0° | 119.8° |
| N06 | C08 | C11 | H08A | 117.5° | 119.8° |
| N06 | C08 | H08 | H08A | 117.8° | 120.3° |
| N06 | C08 | C11 | C14 | 45.8° | 54.7° |
| N06 | C08 | C11 | H11 | 74.2° | 65.3° |
| N06 | C08 | C11 | H11A | 164.9° | 174.6° |
| N06 | C19 | C16 | H19 | 120.0° | 119.7° |
| N06 | C19 | C16 | H19A | 117.9° | 119.8° |
| N06 | C19 | H19 | H19A | 118.1° | 120.4° |
| N06 | C19 | C16 | C14 | 43.5° | 54.6° |
| N06 | C19 | C16 | H16 | 163.5° | 174.6° |
| N06 | C19 | C16 | H16A | 75.7° | 65.3° |
| C19 | N06 | C08 | C11 | 31.3° | 53.3° |
| C19 | N06 | C08 | H08 | 151.3° | 173.2° |
| C19 | N06 | C08 | H08A | 86.3° | 66.5° |
| C16 | C19 | H19 | H19A | 118.1° | 120.3° |
| C19 | C16 | C14 | H16 | 120.0° | 120.0° |
| C19 | C16 | C14 | H16A | 119.2° | 119.9° |
| C19 | C16 | H16 | H16A | 119.2° | 120.1° |
| C19 | C16 | C14 | C11 | 59.3° | 61.6° |
| C19 | C16 | C14 | C22 | 179.2° | 178.6° |
| C19 | C16 | C14 | H14 | 60.5° | 58.5° |
| H19 | C19 | C16 | C14 | 76.5° | 65.1° |
| H19 | C19 | C16 | H16 | 43.5° | 54.9° |
| H19 | C19 | C16 | H16A | 164.3° | 174.9° |
| H19A | C19 | C16 | C14 | 161.4° | 174.4° |
| H19A | C19 | C16 | H16 | 78.6° | 65.6° |
| H19A | C19 | C16 | H16A | 42.2° | 54.5° |
| C14 | C16 | H16 | H16A | 119.3° | 120.0° |
| C16 | C14 | C11 | C08 | 60.6° | 61.6° |
| C16 | C14 | C11 | C22 | 122.9° | 119.8° |
| C16 | C14 | C11 | H14 | 118.4° | 120.3° |
| C16 | C14 | C11 | H11 | 59.4° | 58.4° |
| C16 | C14 | C11 | H11A | 179.6° | 178.5° |
| C16 | C14 | C22 | H14 | 118.3° | 120.2° |
| C16 | C14 | C22 | N26 | 115.4° | 119.9° |
| C16 | C14 | C22 | O23 | 61.5° | 59.8° |
| H16 | C16 | C14 | C11 | 179.3° | 178.4° |
| H16 | C16 | C14 | C22 | 59.2° | 58.6° |
| H16 | C16 | C14 | H14 | 59.5° | 61.5° |
| H16A | C16 | C14 | C11 | 59.9° | 58.4° |
| H16A | C16 | C14 | C22 | 61.6° | 61.5° |
| H16A | C16 | C14 | H14 | 179.7° | 178.4° |
| C11 | C08 | H08 | H08A | 117.8° | 120.4° |
| C08 | C11 | C14 | H11 | 120.0° | 120.0° |
| C08 | C11 | C14 | H11A | 119.1° | 119.9° |
| C08 | C11 | H11 | H11A | 119.1° | 120.1° |
| C08 | C11 | C14 | C22 | 176.5° | 178.6° |
| C08 | C11 | C14 | H14 | 57.8° | 58.7° |
| H08 | C08 | C11 | C14 | 165.8° | 174.5° |
| H08 | C08 | C11 | H11 | 45.8° | 54.5° |
| H08 | C08 | C11 | H11A | 75.1° | 65.6° |
| H08A | C08 | C11 | C14 | 71.7° | 65.1° |
| H08A | C08 | C11 | H11 | 168.3° | 174.9° |
| H08A | C08 | C11 | H11A | 47.3° | 54.8° |
| C14 | C11 | H11 | H11A | 119.1° | 120.0° |
| C11 | C14 | C22 | H14 | 119.9° | 119.9° |
| C11 | C14 | C22 | N26 | 6.4° | 120.3° |
| C11 | C14 | C22 | O23 | 176.7° | 60.1° |
| H11 | C11 | C14 | C22 | 63.4° | 61.4° |
| H11 | C11 | C14 | H14 | 177.8° | 178.7° |
| H11A | C11 | C14 | C22 | 57.5° | 58.7° |
| H11A | C11 | C14 | H14 | 61.2° | 61.3° |
| C14 | C22 | N26 | O23 | 177.3° | 179.7° |
| C14 | C22 | N26 | C25 | 178.3° | 180.0° |
| C14 | C22 | O23 | N24 | 178.5° | 180.0° |
| H14 | C14 | C22 | N26 | 126.3° | 0.4° |
| H14 | C14 | C22 | O23 | 56.8° | 180.0° |
| N26 | C22 | O23 | N24 | 1.1° | 0.3° |
| C22 | N26 | C25 | N24 | 0.6° | 0.2° |
| C22 | N26 | C25 | C27 | 179.3° | 180.0° |
| O23 | C22 | N26 | C25 | 1.0° | 0.3° |
| C22 | O23 | N24 | C25 | 0.7° | 0.2° |
| N26 | C25 | N24 | O23 | 0.1° | 0.0° |
| N26 | C25 | N24 | C27 | 178.7° | 179.8° |
| N26 | C25 | C27 | S34 | 17.0° | 0.3° |
| N26 | C25 | C27 | C28 | 160.5° | 180.0° |
| O23 | N24 | C25 | C27 | 178.6° | 179.8° |
| N24 | C25 | C27 | S34 | 164.5° | 179.9° |
| N24 | C25 | C27 | C28 | 17.9° | 0.2° |
| C25 | C27 | S34 | C28 | 178.1° | 179.7° |
| C25 | C27 | C28 | C30 | 178.2° | 180.0° |
| C25 | C27 | C28 | H28 | 1.8° | 0.1° |
| C25 | C27 | S34 | C32 | 178.2° | 179.9° |
| S34 | C27 | C28 | C30 | 0.5° | 0.3° |
| S34 | C27 | C28 | H28 | 179.5° | 179.8° |
| C27 | S34 | C32 | C30 | 0.3° | 0.4° |
| C27 | S34 | C32 | H32 | 179.7° | 179.9° |
| C27 | C28 | C30 | H28 | 180.0° | 179.9° |
| C27 | C28 | C30 | C32 | 0.8° | 0.0° |
| C27 | C28 | C30 | H30 | 179.2° | 179.9° |
| C28 | C27 | S34 | C32 | 0.1° | 0.4° |
| C28 | C30 | C32 | H30 | 180.0° | 179.9° |
| C28 | C30 | C32 | S34 | 0.6° | 0.3° |
| C28 | C30 | C32 | H32 | 179.4° | 180.0° |
| H28 | C28 | C30 | C32 | 179.2° | 179.9° |
| H28 | C28 | C30 | H30 | 0.7° | 0.0° |
| C30 | C32 | S34 | H32 | 180.0° | 179.7° |
| H30 | C30 | C32 | S34 | 179.4° | 179.8° |
| H30 | C30 | C32 | H32 | 0.6° | 0.0° |
