RFN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N1 | sing | 1.35Å | 1.39Å | |
| C9 | N1 | sing | 1.36Å | 1.37Å | |
| N1 | C12 | sing | 1.46Å | 1.45Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.48Å | |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C11 | doub | 1.39Å | 1.35Å | |
| C7 | C8 | sing | 1.41Å | 1.44Å | |
| C8 | C9 | doub | 1.35Å | 1.33Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.40Å | 1.48Å | |
| C10 | O1 | doub | 1.22Å | 1.23Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| O4 | C15 | doub | 1.21Å | 1.22Å | |
| C15 | N2 | sing | 1.35Å | 1.37Å | |
| C14 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| S1 | C14 | sing | 1.81Å | 1.79Å | |
| O2 | S1 | doub | 1.42Å | 1.45Å | |
| C16 | S1 | sing | 1.81Å | 1.78Å | |
| S1 | O3 | doub | 1.42Å | 1.46Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| N2 | O5 | sing | 1.42Å | 1.43Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N1 | C9 | 122.7° | 121.1° |
| C10 | N1 | C12 | 119.0° | 119.4° |
| N1 | C10 | C11 | 115.7° | 120.2° |
| N1 | C10 | O1 | 123.6° | 119.9° |
| C9 | N1 | C12 | 118.1° | 119.4° |
| N1 | C9 | C8 | 121.1° | 121.0° |
| N1 | C9 | H9 | 119.4° | 119.5° |
| N1 | C12 | C13 | 108.4° | 109.4° |
| N1 | C12 | H12 | 109.8° | 109.5° |
| N1 | C12 | H12A | 109.8° | 109.5° |
| C3 | C4 | C5 | 121.2° | 119.9° |
| C3 | C4 | H4 | 119.4° | 120.0° |
| C4 | C3 | C2 | 118.1° | 120.1° |
| C4 | C3 | H3 | 121.0° | 119.9° |
| C5 | C4 | H4 | 119.4° | 120.1° |
| C4 | C5 | C6 | 118.9° | 119.7° |
| C4 | C5 | C7 | 121.2° | 120.1° |
| C6 | C5 | C7 | 119.7° | 120.1° |
| C5 | C6 | C1 | 120.6° | 119.8° |
| C5 | C6 | H6 | 119.7° | 120.0° |
| C5 | C7 | C11 | 119.9° | 120.5° |
| C5 | C7 | C8 | 120.9° | 120.5° |
| C1 | C6 | H6 | 119.7° | 120.1° |
| C6 | C1 | C2 | 118.9° | 120.2° |
| C6 | C1 | H1 | 120.5° | 119.9° |
| C11 | C7 | C8 | 119.2° | 118.9° |
| C7 | C11 | C10 | 120.8° | 119.0° |
| C7 | C11 | H11 | 119.6° | 120.5° |
| C7 | C8 | C9 | 120.6° | 119.7° |
| C7 | C8 | H8 | 119.7° | 120.1° |
| C9 | C8 | H8 | 119.7° | 120.1° |
| C8 | C9 | H9 | 119.5° | 119.5° |
| C11 | C10 | O1 | 120.7° | 120.0° |
| C10 | C11 | H11 | 119.6° | 120.5° |
| C14 | C13 | C12 | 117.3° | 109.5° |
| C14 | C13 | H13 | 106.9° | 109.4° |
| C14 | C13 | H13A | 106.9° | 109.4° |
| C13 | C14 | C15 | 111.2° | 109.5° |
| C13 | C14 | C17 | 111.5° | 109.5° |
| C13 | C14 | S1 | 108.2° | 109.4° |
| C12 | C13 | H13 | 106.9° | 109.5° |
| C12 | C13 | H13A | 106.9° | 109.5° |
| C13 | C12 | H12 | 109.8° | 109.4° |
| C13 | C12 | H12A | 109.8° | 109.4° |
| H13 | C13 | H13A | 111.9° | 109.5° |
| C14 | C15 | O4 | 122.4° | 120.0° |
| C14 | C15 | N2 | 114.7° | 120.0° |
| C15 | C14 | C17 | 110.9° | 109.5° |
| C15 | C14 | S1 | 113.1° | 109.5° |
| O4 | C15 | N2 | 122.8° | 120.0° |
| C15 | N2 | O5 | 110.8° | 120.0° |
| C15 | N2 | HN2 | 124.6° | 120.0° |
| C14 | C17 | H17 | 109.5° | 109.5° |
| C14 | C17 | H17A | 109.4° | 109.5° |
| C14 | C17 | H17B | 109.5° | 109.5° |
| C17 | C14 | S1 | 101.6° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.4° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.4° |
| C2 | C1 | H1 | 120.6° | 120.0° |
| C1 | C2 | C3 | 122.2° | 120.3° |
| C1 | C2 | H2 | 118.9° | 119.9° |
| C3 | C2 | H2 | 118.9° | 119.9° |
| C2 | C3 | H3 | 121.0° | 119.9° |
| H12 | C12 | H12A | 109.1° | 109.5° |
| C14 | S1 | O2 | 108.4° | 108.6° |
| C14 | S1 | C16 | 105.5° | 101.9° |
| C14 | S1 | O3 | 109.8° | 108.6° |
| O2 | S1 | C16 | 109.3° | 108.6° |
| O2 | S1 | O3 | 116.0° | 119.3° |
| C16 | S1 | O3 | 107.4° | 108.6° |
| S1 | C16 | H16 | 109.5° | 109.5° |
| S1 | C16 | H16A | 109.4° | 109.5° |
| S1 | C16 | H16B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.4° | 109.4° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| O5 | N2 | HN2 | 124.6° | 120.0° |
| N2 | O5 | HO5 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N1 | C9 | C12 | 175.5° | 179.7° |
| N1 | C10 | C11 | C7 | 0.9° | 0.0° |
| C10 | N1 | C9 | C8 | 0.4° | 0.2° |
| N1 | C10 | C11 | O1 | 178.7° | 180.0° |
| C10 | N1 | C12 | C13 | 92.8° | 90.0° |
| C10 | N1 | C9 | H9 | 179.6° | 179.7° |
| N1 | C10 | C11 | H11 | 179.2° | 179.7° |
| C10 | N1 | C12 | H12 | 147.2° | 150.0° |
| C10 | N1 | C12 | H12A | 27.2° | 29.9° |
| N1 | C9 | C8 | C7 | 0.9° | 0.1° |
| N1 | C9 | C8 | H9 | 180.0° | 179.9° |
| N1 | C9 | C8 | H8 | 179.1° | 180.0° |
| C9 | N1 | C10 | C11 | 1.2° | 0.3° |
| C9 | N1 | C10 | O1 | 179.8° | 179.8° |
| C9 | N1 | C12 | C13 | 82.8° | 90.3° |
| C9 | N1 | C12 | H12 | 37.2° | 29.7° |
| C9 | N1 | C12 | H12A | 157.1° | 149.8° |
| C12 | N1 | C9 | C8 | 175.1° | 179.9° |
| C12 | N1 | C10 | C11 | 174.3° | 180.0° |
| C12 | N1 | C10 | O1 | 4.4° | 0.1° |
| N1 | C12 | C13 | C14 | 176.6° | 174.4° |
| N1 | C12 | C13 | H12 | 120.0° | 120.0° |
| N1 | C12 | C13 | H12A | 120.0° | 120.0° |
| N1 | C12 | C13 | H13 | 63.4° | 65.7° |
| N1 | C12 | C13 | H13A | 56.6° | 54.4° |
| C12 | N1 | C9 | H9 | 4.9° | 0.0° |
| N1 | C12 | H12 | H12A | 120.4° | 120.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 2.7° | 0.3° |
| C3 | C4 | C5 | C7 | 178.1° | 179.8° |
| C4 | C3 | C2 | C1 | 0.1° | 0.6° |
| C4 | C3 | C2 | H3 | 180.0° | 179.4° |
| C4 | C3 | C2 | H2 | 179.9° | 179.7° |
| C4 | C5 | C6 | C7 | 175.5° | 179.9° |
| C4 | C5 | C6 | C1 | 2.2° | 0.0° |
| C4 | C5 | C6 | H6 | 177.8° | 180.0° |
| C4 | C5 | C7 | C11 | 38.6° | 115.0° |
| C4 | C5 | C7 | C8 | 139.8° | 64.7° |
| C5 | C4 | C3 | C2 | 1.6° | 0.6° |
| C5 | C4 | C3 | H3 | 178.3° | 180.0° |
| H4 | C4 | C5 | C6 | 177.3° | 180.0° |
| H4 | C4 | C5 | C7 | 1.9° | 0.0° |
| H4 | C4 | C3 | C2 | 178.4° | 179.7° |
| H4 | C4 | C3 | H3 | 1.7° | 0.3° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C6 | C5 | C7 | C11 | 146.0° | 65.1° |
| C6 | C5 | C7 | C8 | 35.6° | 115.3° |
| C5 | C6 | C1 | C2 | 0.7° | 0.0° |
| C5 | C6 | C1 | H1 | 179.3° | 180.0° |
| C7 | C5 | C6 | C1 | 177.7° | 180.0° |
| C7 | C5 | C6 | H6 | 2.3° | 0.0° |
| C5 | C7 | C11 | C8 | 178.4° | 179.7° |
| C5 | C7 | C8 | C9 | 177.2° | 180.0° |
| C5 | C7 | C8 | H8 | 2.8° | 0.1° |
| C5 | C7 | C11 | C10 | 178.2° | 180.0° |
| C5 | C7 | C11 | H11 | 1.9° | 0.3° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C6 | C1 | C2 | H2 | 179.6° | 180.0° |
| H6 | C6 | C1 | C2 | 179.3° | 180.0° |
| H6 | C6 | C1 | H1 | 0.7° | 0.0° |
| C11 | C7 | C8 | C9 | 1.1° | 0.4° |
| C11 | C7 | C8 | H8 | 178.9° | 179.8° |
| C7 | C11 | C10 | H11 | 180.0° | 179.7° |
| C7 | C11 | C10 | O1 | 179.5° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C8 | C7 | C11 | C10 | 0.2° | 0.3° |
| C7 | C8 | C9 | H9 | 179.1° | 180.0° |
| C8 | C7 | C11 | H11 | 179.7° | 180.0° |
| H8 | C8 | C9 | H9 | 0.9° | 0.1° |
| O1 | C10 | C11 | H11 | 0.5° | 0.2° |
| C14 | C13 | C12 | H13 | 120.0° | 120.0° |
| C14 | C13 | C12 | H13A | 120.0° | 120.0° |
| C14 | C13 | H13 | H13A | 116.8° | 119.9° |
| C13 | C14 | C15 | C17 | 124.6° | 120.0° |
| C13 | C14 | C15 | S1 | 122.0° | 120.0° |
| C13 | C14 | C15 | O4 | 59.5° | 15.0° |
| C13 | C14 | C15 | N2 | 117.8° | 165.0° |
| C13 | C14 | C17 | S1 | 115.1° | 120.0° |
| C13 | C14 | C17 | H17 | 180.0° | 60.0° |
| C13 | C14 | C17 | H17A | 60.0° | 180.0° |
| C13 | C14 | C17 | H17B | 60.0° | 60.1° |
| C14 | C13 | C12 | H12 | 63.4° | 54.3° |
| C14 | C13 | C12 | H12A | 56.6° | 65.6° |
| C13 | C14 | S1 | O2 | 58.7° | 170.2° |
| C13 | C14 | S1 | C16 | 58.3° | 55.7° |
| C13 | C14 | S1 | O3 | 173.7° | 58.8° |
| C12 | C13 | H13 | H13A | 116.8° | 120.1° |
| C12 | C13 | C14 | C15 | 55.2° | 177.9° |
| C12 | C13 | C14 | C17 | 69.0° | 57.8° |
| C13 | C12 | H12 | H12A | 120.4° | 119.9° |
| C12 | C13 | C14 | S1 | 180.0° | 62.2° |
| H13 | C13 | C14 | C15 | 64.7° | 62.1° |
| H13 | C13 | C14 | C17 | 171.0° | 177.8° |
| H13 | C13 | C12 | H12 | 56.6° | 174.3° |
| H13 | C13 | C12 | H12A | 176.6° | 54.3° |
| H13 | C13 | C14 | S1 | 60.1° | 57.8° |
| H13A | C13 | C14 | C15 | 175.3° | 57.8° |
| H13A | C13 | C14 | C17 | 51.0° | 62.2° |
| H13A | C13 | C12 | H12 | 176.6° | 65.6° |
| H13A | C13 | C12 | H12A | 63.4° | 174.4° |
| H13A | C13 | C14 | S1 | 59.9° | 177.8° |
| C14 | C15 | O4 | N2 | 177.1° | 179.9° |
| C15 | C14 | C17 | S1 | 120.5° | 120.0° |
| C15 | C14 | C17 | H17 | 55.6° | 180.0° |
| C15 | C14 | C17 | H17A | 64.4° | 60.0° |
| C15 | C14 | C17 | H17B | 175.6° | 60.0° |
| C15 | C14 | S1 | O2 | 177.7° | 50.2° |
| C15 | C14 | S1 | C16 | 65.4° | 64.3° |
| C15 | C14 | S1 | O3 | 50.1° | 178.8° |
| C14 | C15 | N2 | O5 | 179.3° | 180.0° |
| C14 | C15 | N2 | HN2 | 0.7° | 0.1° |
| O4 | C15 | C14 | C17 | 175.9° | 105.0° |
| O4 | C15 | C14 | S1 | 62.5° | 135.0° |
| O4 | C15 | N2 | O5 | 2.0° | 0.0° |
| O4 | C15 | N2 | HN2 | 178.0° | 180.0° |
| N2 | C15 | C14 | C17 | 6.8° | 74.9° |
| N2 | C15 | C14 | S1 | 120.2° | 45.1° |
| C15 | N2 | O5 | HN2 | 180.0° | 179.9° |
| C15 | N2 | O5 | HO5 | 0.9° | 180.0° |
| C14 | C17 | H17 | H17A | 120.0° | 120.0° |
| C14 | C17 | H17 | H17B | 120.0° | 120.0° |
| C14 | C17 | H17A | H17B | 120.0° | 120.0° |
| C17 | C14 | S1 | O2 | 58.8° | 69.8° |
| C17 | C14 | S1 | C16 | 175.7° | 175.7° |
| C17 | C14 | S1 | O3 | 68.8° | 61.2° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| H17 | C17 | C14 | S1 | 64.9° | 60.0° |
| H17A | C17 | C14 | S1 | 175.1° | 60.0° |
| H17B | C17 | C14 | S1 | 55.1° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.7° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| H1 | C1 | C2 | C3 | 179.6° | 179.7° |
| H1 | C1 | C2 | H2 | 0.4° | 0.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.3° |
| C14 | S1 | O2 | C16 | 114.5° | 110.1° |
| C14 | S1 | O2 | O3 | 123.9° | 125.0° |
| C14 | S1 | C16 | O3 | 117.0° | 114.5° |
| C14 | S1 | C16 | H16 | 180.0° | 60.0° |
| C14 | S1 | C16 | H16A | 60.0° | 180.0° |
| C14 | S1 | C16 | H16B | 60.0° | 60.0° |
| O2 | S1 | C16 | O3 | 126.6° | 131.0° |
| O2 | S1 | C16 | H16 | 63.7° | 54.5° |
| O2 | S1 | C16 | H16A | 56.3° | 65.5° |
| O2 | S1 | C16 | H16B | 176.3° | 174.5° |
| S1 | C16 | H16 | H16A | 120.0° | 120.0° |
| S1 | C16 | H16 | H16B | 120.0° | 120.0° |
| S1 | C16 | H16A | H16B | 120.0° | 120.0° |
| O3 | S1 | C16 | H16 | 63.0° | 174.5° |
| O3 | S1 | C16 | H16A | 177.0° | 65.5° |
| O3 | S1 | C16 | H16B | 57.0° | 54.5° |
| H16 | C16 | H16A | H16B | 120.0° | 120.0° |
| HN2 | N2 | O5 | HO5 | 179.1° | 0.0° |
