RF1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C16 | C10 | sing | 1.53Å | 1.53Å | |
| O2 | C10 | sing | 1.45Å | 1.50Å | |
| C10 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C3 | O2 | sing | 1.35Å | 1.37Å | |
| O3 | C3 | doub | 1.21Å | 1.24Å | |
| C3 | N3 | sing | 1.35Å | 1.34Å | |
| C6 | N3 | sing | 1.47Å | 1.48Å | |
| N3 | C7 | sing | 1.47Å | 1.50Å | |
| C12 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C5 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C13 | C5 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C2 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | C2 | doub | 1.31Å | 1.32Å | Aromatic |
| C2 | O1 | sing | 1.34Å | 1.36Å | Aromatic |
| N1 | C1 | sing | 1.35Å | 1.36Å | Aromatic |
| N2 | O1 | sing | 1.21Å | 1.39Å | Aromatic |
| C1 | N2 | doub | 1.31Å | 1.31Å | Aromatic |
| C4 | C1 | sing | 1.48Å | 1.38Å | Aromatic |
| C8 | C4 | doub | 1.35Å | 1.33Å | Aromatic |
| C4 | S1 | sing | 1.76Å | 1.68Å | Aromatic |
| C11 | C8 | sing | 1.38Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | C9 | doub | 1.34Å | 1.35Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C14 | H14 | 109.5° | 109.5° |
| C10 | C14 | H14A | 109.5° | 109.5° |
| C10 | C14 | H14B | 109.5° | 109.5° |
| C14 | C10 | C16 | 108.4° | 109.5° |
| C14 | C10 | O2 | 105.4° | 109.5° |
| C14 | C10 | C15 | 108.1° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.4° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| C16 | C10 | O2 | 113.1° | 109.5° |
| C16 | C10 | C15 | 110.7° | 109.4° |
| C10 | C16 | H16 | 109.5° | 109.5° |
| C10 | C16 | H16A | 109.5° | 109.5° |
| C10 | C16 | H16B | 109.5° | 109.5° |
| O2 | C10 | C15 | 110.8° | 109.5° |
| C10 | O2 | C3 | 124.3° | 117.0° |
| C10 | C15 | H15 | 109.5° | 109.5° |
| C10 | C15 | H15A | 109.4° | 109.5° |
| C10 | C15 | H15B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| H16 | C16 | H16A | 109.4° | 109.5° |
| H16 | C16 | H16B | 109.4° | 109.4° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| O2 | C3 | O3 | 120.8° | 120.0° |
| O2 | C3 | N3 | 119.6° | 119.9° |
| O3 | C3 | N3 | 119.6° | 120.0° |
| C3 | N3 | C6 | 116.9° | 120.7° |
| C3 | N3 | C7 | 120.0° | 120.6° |
| C6 | N3 | C7 | 122.9° | 118.7° |
| N3 | C6 | C13 | 110.5° | 108.8° |
| N3 | C6 | H6 | 109.1° | 109.6° |
| N3 | C6 | H6A | 108.9° | 109.6° |
| N3 | C7 | C12 | 113.4° | 108.8° |
| N3 | C7 | H7 | 108.2° | 109.6° |
| N3 | C7 | H7A | 107.3° | 109.6° |
| C12 | C7 | H7 | 108.2° | 109.5° |
| C12 | C7 | H7A | 107.3° | 109.7° |
| C7 | C12 | C5 | 112.8° | 109.3° |
| C7 | C12 | H12 | 108.4° | 109.5° |
| C7 | C12 | H12A | 107.6° | 109.5° |
| H7 | C7 | H7A | 112.6° | 109.6° |
| C5 | C12 | H12 | 108.4° | 109.5° |
| C5 | C12 | H12A | 107.6° | 109.5° |
| C12 | C5 | C13 | 111.3° | 109.7° |
| C12 | C5 | C2 | 106.4° | 109.6° |
| C12 | C5 | H5 | 111.6° | 109.2° |
| H12 | C12 | H12A | 112.1° | 109.5° |
| C13 | C6 | H6 | 109.1° | 109.6° |
| C13 | C6 | H6A | 108.9° | 109.7° |
| C6 | C13 | C5 | 109.0° | 109.3° |
| C6 | C13 | H13 | 109.6° | 109.5° |
| C6 | C13 | H13A | 109.7° | 109.5° |
| H6 | C6 | H6A | 110.3° | 109.5° |
| C5 | C13 | H13 | 109.6° | 109.6° |
| C5 | C13 | H13A | 109.7° | 109.5° |
| C13 | C5 | C2 | 113.0° | 109.5° |
| C13 | C5 | H5 | 104.8° | 109.5° |
| H13 | C13 | H13A | 109.1° | 109.5° |
| C2 | C5 | H5 | 109.9° | 109.4° |
| C5 | C2 | N1 | 128.8° | 126.4° |
| C5 | C2 | O1 | 120.7° | 126.4° |
| N1 | C2 | O1 | 110.4° | 107.2° |
| C2 | N1 | C1 | 106.3° | 105.6° |
| C2 | O1 | N2 | 105.2° | 110.1° |
| N1 | C1 | N2 | 110.3° | 107.1° |
| N1 | C1 | C4 | 128.5° | 126.4° |
| O1 | N2 | C1 | 107.7° | 110.0° |
| N2 | C1 | C4 | 121.2° | 126.5° |
| C1 | C4 | C8 | 129.7° | 125.3° |
| C1 | C4 | S1 | 122.0° | 125.3° |
| C8 | C4 | S1 | 108.3° | 109.5° |
| C4 | C8 | C11 | 114.4° | 114.7° |
| C4 | C8 | H8 | 122.8° | 122.6° |
| C4 | S1 | C9 | 94.9° | 91.0° |
| C11 | C8 | H8 | 122.8° | 122.6° |
| C8 | C11 | C9 | 116.4° | 115.1° |
| C8 | C11 | H11 | 121.8° | 122.4° |
| C9 | C11 | H11 | 121.8° | 122.5° |
| C11 | C9 | S1 | 106.0° | 109.8° |
| C11 | C9 | H9 | 127.0° | 125.1° |
| S1 | C9 | H9 | 127.0° | 125.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C14 | H14 | H14A | 120.0° | 120.1° |
| C10 | C14 | H14 | H14B | 120.0° | 120.1° |
| C10 | C14 | H14A | H14B | 120.0° | 120.0° |
| C14 | C10 | C16 | O2 | 116.5° | 120.1° |
| C14 | C10 | C16 | C15 | 118.4° | 120.0° |
| C14 | C10 | O2 | C15 | 116.7° | 120.0° |
| C14 | C10 | C15 | H15 | 155.2° | 60.0° |
| C14 | C10 | C15 | H15A | 84.8° | 180.0° |
| C14 | C10 | C15 | H15B | 35.2° | 60.0° |
| C14 | C10 | C16 | H16 | 25.7° | 60.0° |
| C14 | C10 | C16 | H16A | 145.7° | 180.0° |
| C14 | C10 | C16 | H16B | 94.3° | 59.9° |
| C14 | C10 | O2 | C3 | 175.2° | 60.0° |
| H14 | C14 | H14A | H14B | 120.0° | 119.9° |
| H14 | C14 | C10 | C16 | 149.2° | 180.0° |
| H14 | C14 | C10 | O2 | 89.4° | 60.0° |
| H14 | C14 | C10 | C15 | 29.2° | 60.0° |
| H14A | C14 | C10 | C16 | 90.8° | 60.0° |
| H14A | C14 | C10 | O2 | 30.6° | 60.0° |
| H14A | C14 | C10 | C15 | 149.2° | 180.0° |
| H14B | C14 | C10 | C16 | 29.2° | 60.0° |
| H14B | C14 | C10 | O2 | 150.6° | 180.0° |
| H14B | C14 | C10 | C15 | 90.8° | 60.0° |
| C16 | C10 | O2 | C15 | 125.0° | 119.9° |
| C16 | C10 | C15 | H15 | 36.6° | 60.0° |
| C16 | C10 | C15 | H15A | 156.6° | 60.0° |
| C16 | C10 | C15 | H15B | 83.4° | 180.0° |
| C10 | C16 | H16 | H16A | 120.1° | 120.0° |
| C10 | C16 | H16 | H16B | 120.0° | 120.0° |
| C10 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | C10 | O2 | C3 | 56.9° | 180.0° |
| O2 | C10 | C15 | H15 | 89.7° | 179.9° |
| O2 | C10 | C15 | H15A | 30.2° | 59.9° |
| O2 | C10 | C15 | H15B | 150.3° | 60.0° |
| O2 | C10 | C16 | H16 | 90.9° | 60.1° |
| O2 | C10 | C16 | H16A | 29.1° | 59.9° |
| O2 | C10 | C16 | H16B | 149.2° | 180.0° |
| C10 | O2 | C3 | O3 | 4.7° | 0.0° |
| C10 | O2 | C3 | N3 | 175.3° | 180.0° |
| C10 | C15 | H15 | H15A | 120.0° | 120.0° |
| C10 | C15 | H15 | H15B | 120.0° | 120.0° |
| C10 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | C10 | C16 | H16 | 144.0° | 180.0° |
| C15 | C10 | C16 | H16A | 95.9° | 60.0° |
| C15 | C10 | C16 | H16B | 24.1° | 60.0° |
| C15 | C10 | O2 | C3 | 68.1° | 60.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H16 | C16 | H16A | H16B | 119.9° | 119.9° |
| O2 | C3 | O3 | N3 | 179.9° | 180.0° |
| O2 | C3 | N3 | C6 | 178.4° | 0.3° |
| O2 | C3 | N3 | C7 | 2.5° | 180.0° |
| O3 | C3 | N3 | C6 | 1.7° | 179.7° |
| O3 | C3 | N3 | C7 | 177.6° | 0.1° |
| C3 | N3 | C6 | C7 | 175.8° | 179.7° |
| C3 | N3 | C7 | C12 | 152.3° | 126.4° |
| C3 | N3 | C7 | H7 | 32.3° | 6.7° |
| C3 | N3 | C7 | H7A | 89.4° | 113.7° |
| C3 | N3 | C6 | C13 | 144.4° | 126.4° |
| C3 | N3 | C6 | H6 | 95.6° | 113.8° |
| C3 | N3 | C6 | H6A | 24.8° | 6.5° |
| C6 | N3 | C7 | C12 | 32.0° | 53.9° |
| C6 | N3 | C7 | H7 | 152.0° | 173.7° |
| C6 | N3 | C7 | H7A | 86.3° | 66.0° |
| N3 | C6 | C13 | H6 | 120.0° | 119.8° |
| N3 | C6 | C13 | H6A | 119.6° | 119.9° |
| N3 | C6 | H6 | H6A | 119.6° | 120.3° |
| N3 | C6 | C13 | C5 | 52.8° | 54.6° |
| N3 | C6 | C13 | H13 | 172.8° | 174.6° |
| N3 | C6 | C13 | H13A | 67.4° | 65.3° |
| N3 | C7 | C12 | H7 | 120.0° | 119.8° |
| N3 | C7 | C12 | H7A | 118.3° | 119.9° |
| N3 | C7 | H7 | H7A | 118.4° | 120.3° |
| N3 | C7 | C12 | C5 | 37.3° | 54.6° |
| N3 | C7 | C12 | H12 | 82.7° | 65.3° |
| N3 | C7 | C12 | H12A | 155.9° | 174.6° |
| C7 | N3 | C6 | C13 | 39.9° | 53.9° |
| C7 | N3 | C6 | H6 | 80.2° | 65.9° |
| C7 | N3 | C6 | H6A | 159.4° | 173.8° |
| C12 | C7 | H7 | H7A | 118.4° | 120.4° |
| C7 | C12 | C5 | H12 | 120.0° | 119.9° |
| C7 | C12 | C5 | H12A | 118.5° | 120.0° |
| C7 | C12 | H12 | H12A | 118.6° | 120.1° |
| C7 | C12 | C5 | C13 | 55.1° | 61.1° |
| C7 | C12 | C5 | C2 | 178.6° | 178.7° |
| C7 | C12 | C5 | H5 | 61.5° | 58.8° |
| H7 | C7 | C12 | C5 | 157.4° | 174.4° |
| H7 | C7 | C12 | H12 | 37.3° | 54.5° |
| H7 | C7 | C12 | H12A | 84.1° | 65.6° |
| H7A | C7 | C12 | C5 | 80.9° | 65.3° |
| H7A | C7 | C12 | H12 | 159.0° | 174.8° |
| H7A | C7 | C12 | H12A | 37.6° | 54.7° |
| C5 | C12 | H12 | H12A | 118.6° | 120.1° |
| C12 | C5 | C13 | C6 | 62.7° | 61.1° |
| C12 | C5 | C13 | C2 | 119.6° | 120.3° |
| C12 | C5 | C13 | H5 | 120.8° | 119.8° |
| C12 | C5 | C13 | H13 | 177.3° | 178.9° |
| C12 | C5 | C13 | H13A | 57.4° | 58.8° |
| C12 | C5 | C2 | H5 | 121.0° | 119.7° |
| C12 | C5 | C2 | N1 | 158.5° | 120.0° |
| C12 | C5 | C2 | O1 | 24.7° | 60.3° |
| H12 | C12 | C5 | C13 | 64.9° | 58.8° |
| H12 | C12 | C5 | C2 | 58.6° | 61.4° |
| H12 | C12 | C5 | H5 | 178.5° | 178.8° |
| H12A | C12 | C5 | C13 | 173.7° | 178.9° |
| H12A | C12 | C5 | C2 | 62.8° | 58.7° |
| H12A | C12 | C5 | H5 | 57.0° | 61.2° |
| C13 | C6 | H6 | H6A | 119.6° | 120.4° |
| C6 | C13 | C5 | H13 | 120.0° | 120.0° |
| C6 | C13 | C5 | H13A | 120.2° | 119.9° |
| C6 | C13 | H13 | H13A | 120.2° | 120.1° |
| C6 | C13 | C5 | C2 | 177.7° | 178.6° |
| C6 | C13 | C5 | H5 | 58.1° | 58.7° |
| H6 | C6 | C13 | C5 | 67.2° | 65.3° |
| H6 | C6 | C13 | H13 | 52.8° | 54.8° |
| H6 | C6 | C13 | H13A | 172.6° | 174.8° |
| H6A | C6 | C13 | C5 | 172.4° | 174.4° |
| H6A | C6 | C13 | H13 | 67.6° | 65.5° |
| H6A | C6 | C13 | H13A | 52.2° | 54.5° |
| C5 | C13 | H13 | H13A | 120.2° | 120.1° |
| C13 | C5 | C2 | H5 | 116.6° | 119.9° |
| C13 | C5 | C2 | N1 | 36.0° | 119.7° |
| C13 | C5 | C2 | O1 | 147.1° | 60.0° |
| H13 | C13 | C5 | C2 | 57.7° | 58.6° |
| H13 | C13 | C5 | H5 | 62.0° | 61.3° |
| H13A | C13 | C5 | C2 | 62.2° | 61.5° |
| H13A | C13 | C5 | H5 | 178.2° | 178.6° |
| C5 | C2 | N1 | O1 | 177.1° | 179.7° |
| C5 | C2 | N1 | C1 | 178.1° | 180.0° |
| C5 | C2 | O1 | N2 | 178.3° | 180.0° |
| H5 | C5 | C2 | N1 | 80.6° | 0.3° |
| H5 | C5 | C2 | O1 | 96.3° | 180.0° |
| N1 | C2 | O1 | N2 | 0.9° | 0.3° |
| C2 | N1 | C1 | N2 | 0.6° | 0.2° |
| C2 | N1 | C1 | C4 | 178.3° | 180.0° |
| O1 | C2 | N1 | C1 | 1.0° | 0.3° |
| C2 | O1 | N2 | C1 | 0.5° | 0.1° |
| N1 | C1 | N2 | O1 | 0.1° | 0.0° |
| N1 | C1 | N2 | C4 | 179.0° | 179.8° |
| N1 | C1 | C4 | C8 | 18.8° | 179.8° |
| N1 | C1 | C4 | S1 | 162.8° | 0.1° |
| O1 | N2 | C1 | C4 | 178.9° | 179.9° |
| N2 | C1 | C4 | C8 | 160.1° | 0.4° |
| N2 | C1 | C4 | S1 | 18.4° | 179.8° |
| C1 | C4 | C8 | S1 | 178.6° | 179.7° |
| C1 | C4 | C8 | C11 | 179.0° | 180.0° |
| C1 | C4 | C8 | H8 | 1.0° | 0.0° |
| C1 | C4 | S1 | C9 | 179.7° | 179.9° |
| C4 | C8 | C11 | H8 | 180.0° | 180.0° |
| C4 | C8 | C11 | C9 | 0.6° | 0.0° |
| C4 | C8 | C11 | H11 | 179.4° | 180.0° |
| C8 | C4 | S1 | C9 | 1.0° | 0.3° |
| S1 | C4 | C8 | C11 | 0.5° | 0.2° |
| S1 | C4 | C8 | H8 | 179.5° | 179.8° |
| C4 | S1 | C9 | C11 | 1.3° | 0.3° |
| C4 | S1 | C9 | H9 | 178.7° | 179.9° |
| C8 | C11 | C9 | H11 | 180.0° | 180.0° |
| C8 | C11 | C9 | S1 | 1.3° | 0.3° |
| C8 | C11 | C9 | H9 | 178.7° | 180.0° |
| H8 | C8 | C11 | C9 | 179.4° | 180.0° |
| H8 | C8 | C11 | H11 | 0.6° | 0.0° |
| C11 | C9 | S1 | H9 | 180.0° | 179.7° |
| H11 | C11 | C9 | S1 | 178.7° | 179.7° |
| H11 | C11 | C9 | H9 | 1.3° | 0.0° |
