R0N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C2 | sing | 1.40Å | 1.39Å | |
| C10 | N9 | doub | 1.32Å | 1.32Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | F1 | sing | 1.40Å | 1.35Å | |
| C2 | C5 | sing | 1.51Å | 1.52Å | |
| C2 | F4 | sing | 1.40Å | 1.31Å | |
| N9 | C8 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | N11 | sing | 1.38Å | 1.33Å | |
| C8 | N7 | doub | 1.32Å | 1.33Å | Aromatic |
| C6 | N7 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | O24 | sing | 1.36Å | 1.38Å | |
| N11 | C12 | sing | 1.40Å | 1.34Å | |
| C28 | C26 | sing | 1.53Å | 1.51Å | |
| O24 | C25 | sing | 1.43Å | 1.38Å | |
| C12 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C25 | C29 | sing | 1.53Å | 1.53Å | |
| C26 | O27 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | S18 | sing | 1.76Å | 1.73Å | |
| O20 | S18 | doub | 1.42Å | 1.48Å | |
| S18 | C21 | sing | 1.81Å | 1.81Å | |
| S18 | N19 | doub | 1.49Å | 1.59Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| N19 | H13 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| N11 | H18 | sing | 0.97Å | 1.00Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| O27 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C2 | F1 | 114.1° | 109.5° |
| F3 | C2 | C5 | 108.3° | 109.5° |
| F3 | C2 | F4 | 108.7° | 109.5° |
| N9 | C10 | C5 | 120.4° | 119.2° |
| C10 | N9 | C8 | 121.2° | 120.9° |
| N9 | C10 | H1 | 119.8° | 120.4° |
| C10 | C5 | C2 | 119.4° | 120.7° |
| C10 | C5 | C6 | 118.2° | 118.5° |
| C5 | C10 | H1 | 119.8° | 120.4° |
| F1 | C2 | C5 | 110.9° | 109.5° |
| F1 | C2 | F4 | 104.9° | 109.5° |
| C5 | C2 | F4 | 110.0° | 109.4° |
| C2 | C5 | C6 | 122.4° | 120.7° |
| N9 | C8 | N11 | 118.9° | 119.2° |
| N9 | C8 | N7 | 119.1° | 121.6° |
| C5 | C6 | N7 | 118.1° | 119.1° |
| C5 | C6 | O24 | 122.4° | 120.5° |
| N11 | C8 | N7 | 121.6° | 119.2° |
| C8 | N11 | C12 | 129.2° | 120.0° |
| C8 | N11 | H18 | 115.4° | 120.0° |
| C8 | N7 | C6 | 122.7° | 120.7° |
| N7 | C6 | O24 | 119.5° | 120.5° |
| C6 | O24 | C25 | 115.2° | 117.0° |
| N11 | C12 | C17 | 115.1° | 120.1° |
| N11 | C12 | C13 | 126.3° | 120.0° |
| C12 | N11 | H18 | 115.4° | 120.0° |
| C28 | C26 | C25 | 111.1° | 109.4° |
| C28 | C26 | O27 | 112.0° | 109.5° |
| C28 | C26 | H7 | 108.8° | 109.4° |
| C26 | C28 | H8 | 109.5° | 109.5° |
| C26 | C28 | H9 | 109.5° | 109.5° |
| C26 | C28 | H10 | 109.5° | 109.5° |
| O24 | C25 | C26 | 104.9° | 109.5° |
| O24 | C25 | C29 | 105.5° | 109.4° |
| O24 | C25 | H19 | 114.7° | 109.5° |
| C17 | C12 | C13 | 118.5° | 119.9° |
| C12 | C17 | C16 | 122.8° | 119.9° |
| C12 | C17 | H3 | 118.6° | 120.0° |
| C12 | C13 | C14 | 119.1° | 119.9° |
| C12 | C13 | H2 | 120.5° | 120.0° |
| C17 | C16 | C15 | 117.2° | 120.1° |
| C16 | C17 | H3 | 118.6° | 120.1° |
| C17 | C16 | H16 | 121.4° | 119.9° |
| C26 | C25 | C29 | 106.9° | 109.5° |
| C25 | C26 | O27 | 106.8° | 109.5° |
| C25 | C26 | H7 | 108.2° | 109.4° |
| C26 | C25 | H19 | 111.9° | 109.5° |
| C29 | C25 | H19 | 112.2° | 109.5° |
| C25 | C29 | H20 | 109.5° | 109.5° |
| C25 | C29 | H21 | 109.5° | 109.5° |
| C25 | C29 | H22 | 109.5° | 109.4° |
| O27 | C26 | H7 | 109.8° | 109.5° |
| C26 | O27 | H23 | 109.5° | 114.0° |
| C13 | C14 | C15 | 120.4° | 120.1° |
| C14 | C13 | H2 | 120.4° | 120.1° |
| C13 | C14 | H17 | 119.8° | 120.0° |
| C16 | C15 | C14 | 122.0° | 120.2° |
| C16 | C15 | S18 | 119.2° | 119.9° |
| C15 | C16 | H16 | 121.4° | 120.0° |
| C14 | C15 | S18 | 118.8° | 119.9° |
| C15 | C14 | H17 | 119.8° | 120.0° |
| C15 | S18 | O20 | 104.9° | 108.3° |
| C15 | S18 | C21 | 118.3° | 108.3° |
| C15 | S18 | N19 | 109.1° | 108.7° |
| O20 | S18 | C21 | 106.8° | 114.7° |
| O20 | S18 | N19 | 106.0° | 108.3° |
| C21 | S18 | N19 | 110.8° | 108.3° |
| S18 | C21 | C22 | 119.9° | 117.5° |
| S18 | C21 | C23 | 109.7° | 117.5° |
| S18 | C21 | H4 | 115.2° | 115.6° |
| S18 | N19 | H13 | 112.0° | 119.9° |
| C22 | C21 | C23 | 59.7° | 60.0° |
| C21 | C22 | C23 | 59.2° | 60.0° |
| C22 | C21 | H4 | 119.8° | 117.5° |
| C21 | C22 | H5 | 120.1° | 117.5° |
| C21 | C22 | H6 | 120.1° | 117.5° |
| C21 | C23 | C22 | 61.1° | 60.0° |
| C23 | C21 | H4 | 120.4° | 117.5° |
| C21 | C23 | H11 | 119.8° | 117.5° |
| C21 | C23 | H12 | 119.8° | 117.5° |
| C23 | C22 | H5 | 120.2° | 117.5° |
| C23 | C22 | H6 | 120.1° | 117.5° |
| C22 | C23 | H11 | 119.8° | 117.5° |
| C22 | C23 | H12 | 119.8° | 117.5° |
| H5 | C22 | H6 | 109.5° | 115.5° |
| H8 | C28 | H9 | 109.5° | 109.4° |
| H8 | C28 | H10 | 109.4° | 109.5° |
| H9 | C28 | H10 | 109.4° | 109.5° |
| H11 | C23 | H12 | 109.5° | 115.5° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H20 | C29 | H22 | 109.5° | 109.5° |
| H21 | C29 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C2 | C5 | C10 | 6.2° | 119.7° |
| F3 | C2 | F1 | C5 | 122.5° | 120.0° |
| F3 | C2 | F1 | F4 | 118.8° | 120.0° |
| F3 | C2 | C5 | F4 | 118.6° | 120.0° |
| F3 | C2 | C5 | C6 | 176.2° | 60.0° |
| N9 | C10 | C5 | H1 | 180.0° | 179.9° |
| N9 | C10 | C5 | C2 | 177.5° | 179.7° |
| N9 | C10 | C5 | C6 | 0.1° | 0.0° |
| C10 | N9 | C8 | N11 | 179.7° | 180.0° |
| C10 | N9 | C8 | N7 | 5.9° | 0.1° |
| C10 | C5 | C2 | F1 | 132.0° | 0.3° |
| C10 | C5 | C2 | C6 | 177.6° | 179.7° |
| C10 | C5 | C2 | F4 | 112.4° | 120.3° |
| C5 | C10 | N9 | C8 | 4.1° | 0.0° |
| C10 | C5 | C6 | N7 | 2.0° | 0.0° |
| C10 | C5 | C6 | O24 | 178.6° | 180.0° |
| F1 | C2 | C5 | F4 | 115.6° | 120.0° |
| F1 | C2 | C5 | C6 | 50.4° | 180.0° |
| C2 | C5 | C6 | N7 | 179.6° | 179.7° |
| C2 | C5 | C6 | O24 | 1.0° | 0.3° |
| C2 | C5 | C10 | H1 | 2.5° | 0.2° |
| F4 | C2 | C5 | C6 | 65.1° | 60.0° |
| N9 | C8 | N11 | N7 | 173.6° | 180.0° |
| N9 | C8 | N7 | C6 | 3.7° | 0.0° |
| N9 | C8 | N11 | C12 | 178.9° | 5.6° |
| C8 | N9 | C10 | H1 | 175.9° | 179.9° |
| N9 | C8 | N11 | H18 | 1.1° | 174.4° |
| C5 | C6 | N7 | C8 | 0.2° | 0.0° |
| C5 | C6 | N7 | O24 | 179.4° | 180.0° |
| C5 | C6 | O24 | C25 | 156.8° | 180.0° |
| C6 | C5 | C10 | H1 | 179.8° | 179.9° |
| N11 | C8 | N7 | C6 | 177.3° | 180.0° |
| C8 | N11 | C12 | H18 | 180.0° | 180.0° |
| C8 | N11 | C12 | C17 | 171.9° | 33.3° |
| C8 | N11 | C12 | C13 | 10.4° | 146.6° |
| C8 | N7 | C6 | O24 | 179.6° | 180.0° |
| N7 | C8 | N11 | C12 | 5.3° | 174.4° |
| N7 | C8 | N11 | H18 | 174.7° | 5.5° |
| N7 | C6 | O24 | C25 | 22.6° | 0.1° |
| C6 | O24 | C25 | C26 | 143.6° | 150.0° |
| C6 | O24 | C25 | C29 | 103.7° | 90.0° |
| C6 | O24 | C25 | H19 | 20.4° | 29.9° |
| N11 | C12 | C17 | C13 | 178.0° | 180.0° |
| N11 | C12 | C17 | C16 | 177.8° | 179.6° |
| N11 | C12 | C13 | C14 | 178.8° | 179.9° |
| N11 | C12 | C13 | H2 | 1.2° | 0.2° |
| N11 | C12 | C17 | H3 | 2.2° | 0.3° |
| C28 | C26 | C25 | O24 | 66.1° | 55.1° |
| C28 | C26 | C25 | O27 | 122.5° | 120.0° |
| C28 | C26 | C25 | H7 | 119.4° | 119.9° |
| C28 | C26 | C25 | C29 | 177.8° | 175.0° |
| C28 | C26 | O27 | H7 | 121.0° | 120.0° |
| C26 | C28 | H8 | H9 | 120.0° | 120.0° |
| C26 | C28 | H8 | H10 | 120.0° | 120.0° |
| C26 | C28 | H9 | H10 | 120.0° | 120.0° |
| C28 | C26 | C25 | H19 | 58.9° | 64.9° |
| C28 | C26 | O27 | H23 | 180.0° | 60.0° |
| O24 | C25 | C26 | C29 | 111.7° | 119.9° |
| O24 | C25 | C26 | H19 | 125.0° | 120.0° |
| O24 | C25 | C29 | H19 | 125.6° | 120.0° |
| O24 | C25 | C26 | O27 | 56.4° | 64.9° |
| O24 | C25 | C26 | H7 | 174.5° | 175.0° |
| O24 | C25 | C29 | H20 | 180.0° | 60.0° |
| O24 | C25 | C29 | H21 | 60.0° | 60.0° |
| O24 | C25 | C29 | H22 | 60.0° | 179.9° |
| C12 | C17 | C16 | H3 | 180.0° | 179.3° |
| C17 | C12 | C13 | C14 | 1.1° | 0.0° |
| C12 | C17 | C16 | C15 | 1.5° | 0.7° |
| C17 | C12 | C13 | H2 | 178.9° | 179.8° |
| C12 | C17 | C16 | H16 | 178.5° | 179.2° |
| C17 | C12 | N11 | H18 | 8.1° | 146.6° |
| C13 | C12 | C17 | C16 | 0.2° | 0.5° |
| C12 | C13 | C14 | H2 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 1.1° | 0.3° |
| C13 | C12 | C17 | H3 | 179.8° | 179.8° |
| C12 | C13 | C14 | H17 | 178.9° | 179.8° |
| C13 | C12 | N11 | H18 | 169.6° | 33.4° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 1.5° | 0.4° |
| C17 | C16 | C15 | S18 | 179.9° | 179.5° |
| C26 | C25 | C29 | H19 | 123.0° | 120.1° |
| C25 | C26 | O27 | H7 | 117.1° | 120.0° |
| C25 | C26 | C28 | H8 | 180.0° | 179.9° |
| C25 | C26 | C28 | H9 | 60.0° | 60.0° |
| C25 | C26 | C28 | H10 | 60.0° | 60.1° |
| C26 | C25 | C29 | H20 | 68.6° | 60.0° |
| C26 | C25 | C29 | H21 | 51.4° | 180.0° |
| C26 | C25 | C29 | H22 | 171.3° | 60.0° |
| C25 | C26 | O27 | H23 | 58.1° | 60.0° |
| C29 | C25 | C26 | O27 | 55.4° | 55.0° |
| C29 | C25 | C26 | H7 | 62.8° | 65.1° |
| C25 | C29 | H20 | H21 | 120.0° | 120.0° |
| C25 | C29 | H20 | H22 | 120.0° | 119.9° |
| C25 | C29 | H21 | H22 | 120.0° | 119.9° |
| O27 | C26 | C28 | H8 | 60.6° | 60.0° |
| O27 | C26 | C28 | H9 | 179.4° | 180.0° |
| O27 | C26 | C28 | H10 | 59.4° | 60.0° |
| O27 | C26 | C25 | H19 | 178.6° | 175.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.1° |
| C13 | C14 | C15 | H17 | 180.0° | 179.9° |
| C13 | C14 | C15 | S18 | 178.7° | 180.0° |
| C16 | C15 | C14 | S18 | 178.4° | 179.9° |
| C16 | C15 | S18 | O20 | 87.4° | 145.0° |
| C16 | C15 | S18 | C21 | 31.6° | 90.0° |
| C16 | C15 | S18 | N19 | 159.4° | 27.5° |
| C15 | C16 | C17 | H3 | 178.5° | 180.0° |
| C16 | C15 | C14 | H17 | 179.7° | 180.0° |
| C14 | C15 | S18 | O20 | 91.1° | 34.9° |
| C14 | C15 | S18 | C21 | 149.9° | 90.1° |
| C14 | C15 | S18 | N19 | 22.1° | 152.4° |
| C15 | C14 | C13 | H2 | 178.9° | 180.0° |
| C14 | C15 | C16 | H16 | 178.5° | 179.5° |
| C15 | S18 | O20 | C21 | 126.4° | 121.1° |
| C15 | S18 | O20 | N19 | 115.4° | 117.7° |
| C15 | S18 | C21 | N19 | 127.1° | 117.7° |
| C15 | S18 | C21 | C22 | 66.8° | 180.0° |
| C15 | S18 | C21 | C23 | 132.4° | 111.4° |
| C15 | S18 | C21 | H4 | 87.9° | 34.3° |
| C15 | S18 | N19 | H13 | 112.5° | 177.6° |
| S18 | C15 | C16 | H16 | 0.1° | 0.6° |
| S18 | C15 | C14 | H17 | 1.3° | 0.1° |
| O20 | S18 | C21 | N19 | 115.0° | 121.1° |
| O20 | S18 | C21 | C22 | 175.3° | 58.9° |
| O20 | S18 | C21 | C23 | 109.6° | 9.8° |
| O20 | S18 | C21 | H4 | 30.1° | 155.4° |
| O20 | S18 | N19 | H13 | 0.0° | 60.1° |
| S18 | C21 | C22 | C23 | 96.6° | 107.5° |
| S18 | C21 | C22 | H4 | 153.5° | 145.1° |
| S18 | C21 | C23 | H4 | 137.2° | 145.0° |
| S18 | C21 | C22 | H5 | 12.7° | 0.0° |
| S18 | C21 | C22 | H6 | 154.2° | 145.0° |
| S18 | C21 | C23 | H11 | 136.3° | 145.0° |
| S18 | C21 | C23 | H12 | 4.1° | 0.1° |
| C21 | S18 | N19 | H13 | 115.5° | 64.9° |
| N19 | S18 | C21 | C22 | 60.3° | 62.2° |
| N19 | S18 | C21 | C23 | 5.4° | 130.9° |
| N19 | S18 | C21 | H4 | 145.1° | 83.5° |
| C22 | C21 | C23 | H4 | 108.9° | 107.5° |
| C21 | C22 | C23 | H5 | 109.2° | 107.5° |
| C21 | C22 | C23 | H6 | 109.3° | 107.5° |
| C21 | C22 | H5 | H6 | 145.2° | 145.7° |
| C22 | C21 | C23 | H11 | 109.8° | 107.5° |
| C22 | C21 | C23 | H12 | 109.8° | 107.5° |
| C21 | C23 | H11 | H12 | 144.1° | 145.7° |
| C23 | C22 | H5 | H6 | 145.2° | 145.7° |
| C22 | C23 | H11 | H12 | 144.1° | 145.7° |
| H2 | C13 | C14 | H17 | 1.0° | 0.0° |
| H3 | C17 | C16 | H16 | 1.5° | 0.1° |
| H4 | C21 | C22 | H5 | 140.8° | 145.1° |
| H4 | C21 | C22 | H6 | 0.7° | 0.0° |
| H4 | C21 | C23 | H11 | 0.9° | 0.0° |
| H4 | C21 | C23 | H12 | 141.3° | 145.0° |
| H5 | C22 | C23 | H11 | 141.0° | 145.0° |
| H5 | C22 | C23 | H12 | 0.5° | 0.0° |
| H6 | C22 | C23 | H11 | 0.5° | 0.0° |
| H6 | C22 | C23 | H12 | 141.0° | 145.0° |
| H7 | C26 | C28 | H8 | 61.0° | 60.0° |
| H7 | C26 | C28 | H9 | 59.1° | 59.9° |
| H7 | C26 | C28 | H10 | 179.0° | 180.0° |
| H7 | C26 | C25 | H19 | 60.5° | 55.0° |
| H7 | C26 | O27 | H23 | 59.0° | 180.0° |
| H8 | C28 | H9 | H10 | 120.0° | 120.0° |
| H19 | C25 | C29 | H20 | 54.4° | 180.0° |
| H19 | C25 | C29 | H21 | 174.4° | 59.9° |
| H19 | C25 | C29 | H22 | 65.6° | 60.1° |
| H20 | C29 | H21 | H22 | 120.0° | 120.0° |
