RA5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.38Å | |
| C1 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C9 | sing | 1.42Å | 1.42Å | |
| C | O | sing | 1.43Å | 1.43Å | |
| C6 | O1 | sing | 1.36Å | 1.38Å | |
| C9 | C8 | doub | 1.39Å | 1.36Å | |
| O1 | C7 | sing | 1.35Å | 1.38Å | |
| C8 | C7 | sing | 1.47Å | 1.45Å | |
| C8 | C10 | sing | 1.47Å | 1.49Å | |
| C7 | O2 | doub | 1.22Å | 1.24Å | |
| O3 | C10 | doub | 1.22Å | 1.25Å | |
| C10 | N | sing | 1.35Å | 1.37Å | |
| N | C11 | sing | 1.40Å | 1.39Å | |
| C11 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | S14 | sing | 1.76Å | 1.70Å | |
| N18 | S14 | sing | 1.66Å | 1.58Å | |
| O19 | S14 | doub | 1.42Å | 1.46Å | |
| S14 | O17 | doub | 1.42Å | 1.44Å | |
| N18 | H1 | sing | 0.97Å | 1.00Å | |
| N18 | H2 | sing | 0.97Å | 1.00Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 121.0° | 120.6° |
| C3 | C2 | C1 | 120.8° | 120.6° |
| C2 | C3 | H10 | 119.5° | 119.7° |
| C3 | C2 | H11 | 119.6° | 119.7° |
| C3 | C4 | C5 | 119.5° | 119.9° |
| C3 | C4 | H9 | 120.3° | 120.1° |
| C4 | C3 | H10 | 119.5° | 119.7° |
| C2 | C1 | O | 124.8° | 120.1° |
| C2 | C1 | C6 | 118.3° | 119.8° |
| C1 | C2 | H11 | 119.6° | 119.7° |
| C4 | C5 | C6 | 120.0° | 119.7° |
| C4 | C5 | C9 | 121.0° | 120.5° |
| C5 | C4 | H9 | 120.3° | 120.0° |
| O | C1 | C6 | 116.9° | 120.1° |
| C1 | O | C | 114.6° | 117.0° |
| C1 | C6 | C5 | 120.4° | 119.4° |
| C1 | C6 | O1 | 118.0° | 120.3° |
| C6 | C5 | C9 | 119.0° | 119.8° |
| C5 | C6 | O1 | 121.6° | 120.3° |
| C5 | C9 | C8 | 120.3° | 117.9° |
| C5 | C9 | H8 | 119.8° | 121.0° |
| O | C | H12 | 109.5° | 109.5° |
| O | C | H13 | 109.5° | 109.5° |
| O | C | H14 | 109.5° | 109.5° |
| C6 | O1 | C7 | 119.1° | 116.1° |
| C9 | C8 | C7 | 119.5° | 117.2° |
| C9 | C8 | C10 | 120.4° | 121.4° |
| C8 | C9 | H8 | 119.9° | 121.0° |
| O1 | C7 | C8 | 120.5° | 118.0° |
| O1 | C7 | O2 | 109.3° | 121.0° |
| C7 | C8 | C10 | 120.0° | 121.4° |
| C8 | C7 | O2 | 130.2° | 121.0° |
| C8 | C10 | O3 | 122.3° | 120.0° |
| C8 | C10 | N | 115.4° | 120.0° |
| O3 | C10 | N | 122.3° | 120.0° |
| C10 | N | C11 | 126.9° | 119.9° |
| C10 | N | H7 | 116.5° | 120.0° |
| N | C11 | C16 | 121.9° | 120.1° |
| N | C11 | C12 | 119.0° | 120.1° |
| C11 | N | H7 | 116.5° | 120.0° |
| C16 | C11 | C12 | 119.1° | 119.8° |
| C11 | C16 | C15 | 118.3° | 119.9° |
| C11 | C16 | H6 | 120.8° | 120.0° |
| C11 | C12 | C13 | 120.7° | 119.9° |
| C11 | C12 | H4 | 119.7° | 120.0° |
| C16 | C15 | C14 | 125.6° | 120.1° |
| C16 | C15 | H5 | 117.2° | 119.9° |
| C15 | C16 | H6 | 120.8° | 120.1° |
| C12 | C13 | C14 | 122.6° | 120.1° |
| C12 | C13 | H3 | 118.7° | 119.9° |
| C13 | C12 | H4 | 119.6° | 120.1° |
| C15 | C14 | C13 | 113.7° | 120.1° |
| C15 | C14 | S14 | 125.1° | 119.9° |
| C14 | C15 | H5 | 117.2° | 120.0° |
| C13 | C14 | S14 | 121.3° | 120.0° |
| C14 | C13 | H3 | 118.7° | 119.9° |
| C14 | S14 | N18 | 104.9° | 107.2° |
| C14 | S14 | O19 | 106.2° | 106.4° |
| C14 | S14 | O17 | 107.0° | 106.4° |
| N18 | S14 | O19 | 110.6° | 106.4° |
| N18 | S14 | O17 | 111.0° | 106.4° |
| S14 | N18 | H1 | 109.5° | 120.0° |
| S14 | N18 | H2 | 109.4° | 119.9° |
| O19 | S14 | O17 | 116.3° | 123.2° |
| H1 | N18 | H2 | 109.5° | 120.0° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.4° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H10 | 180.0° | 179.9° |
| C3 | C2 | C1 | H11 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C3 | C2 | C1 | O | 179.6° | 179.8° |
| C3 | C2 | C1 | C6 | 0.2° | 0.3° |
| C2 | C3 | C4 | H9 | 179.9° | 179.5° |
| C4 | C3 | C2 | C1 | 0.3° | 0.5° |
| C3 | C4 | C5 | H9 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 1.9° |
| C3 | C4 | C5 | C9 | 179.8° | 177.5° |
| C4 | C3 | C2 | H11 | 179.7° | 179.5° |
| C2 | C1 | O | C6 | 179.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 1.1° |
| C2 | C1 | O | C | 36.8° | 0.0° |
| C2 | C1 | C6 | O1 | 179.8° | 178.0° |
| C1 | C2 | C3 | H10 | 179.7° | 179.3° |
| C4 | C5 | C6 | C1 | 0.3° | 2.1° |
| C4 | C5 | C6 | C9 | 179.6° | 179.4° |
| C4 | C5 | C6 | O1 | 180.0° | 177.0° |
| C4 | C5 | C9 | C8 | 179.6° | 169.8° |
| C4 | C5 | C9 | H8 | 0.4° | 10.2° |
| C5 | C4 | C3 | H10 | 179.9° | 179.6° |
| O | C1 | C6 | C5 | 179.4° | 178.9° |
| O | C1 | C6 | O1 | 0.3° | 2.0° |
| O | C1 | C2 | H11 | 0.3° | 0.2° |
| C1 | O | C | H12 | 180.0° | 180.0° |
| C1 | O | C | H13 | 60.0° | 60.0° |
| C1 | O | C | H14 | 60.0° | 60.0° |
| C1 | C6 | C5 | O1 | 179.6° | 179.1° |
| C1 | C6 | C5 | C9 | 179.9° | 177.3° |
| C6 | C1 | O | C | 142.7° | 180.0° |
| C1 | C6 | O1 | C7 | 179.7° | 152.5° |
| C6 | C1 | C2 | H11 | 179.8° | 179.8° |
| C6 | C5 | C9 | C8 | 0.9° | 9.5° |
| C5 | C6 | O1 | C7 | 0.1° | 28.4° |
| C6 | C5 | C9 | H8 | 179.1° | 170.5° |
| C6 | C5 | C4 | H9 | 179.8° | 178.1° |
| C9 | C5 | C6 | O1 | 0.5° | 3.6° |
| C5 | C9 | C8 | H8 | 180.0° | 180.0° |
| C5 | C9 | C8 | C7 | 0.9° | 1.4° |
| C5 | C9 | C8 | C10 | 179.7° | 178.8° |
| C9 | C5 | C4 | H9 | 0.2° | 2.5° |
| O | C | H12 | H13 | 120.0° | 120.0° |
| O | C | H12 | H14 | 120.0° | 120.0° |
| O | C | H13 | H14 | 120.0° | 120.0° |
| C6 | O1 | C7 | C8 | 0.1° | 39.5° |
| C6 | O1 | C7 | O2 | 179.9° | 140.4° |
| C9 | C8 | C7 | O1 | 0.5° | 26.3° |
| C9 | C8 | C7 | C10 | 178.9° | 179.8° |
| C9 | C8 | C7 | O2 | 179.5° | 153.7° |
| C9 | C8 | C10 | O3 | 35.3° | 0.2° |
| C9 | C8 | C10 | N | 143.7° | 179.7° |
| O1 | C7 | C8 | O2 | 180.0° | 180.0° |
| O1 | C7 | C8 | C10 | 179.4° | 153.9° |
| C7 | C8 | C10 | O3 | 145.8° | 180.0° |
| C7 | C8 | C10 | N | 35.2° | 0.1° |
| C7 | C8 | C9 | H8 | 179.1° | 178.6° |
| C10 | C8 | C7 | O2 | 0.7° | 26.1° |
| C8 | C10 | O3 | N | 178.9° | 179.9° |
| C8 | C10 | N | C11 | 179.6° | 175.4° |
| C8 | C10 | N | H7 | 0.4° | 4.5° |
| C10 | C8 | C9 | H8 | 0.3° | 1.2° |
| O3 | C10 | N | C11 | 0.6° | 4.7° |
| O3 | C10 | N | H7 | 179.4° | 175.4° |
| C10 | N | C11 | H7 | 180.0° | 180.0° |
| C10 | N | C11 | C16 | 2.2° | 145.0° |
| C10 | N | C11 | C12 | 178.3° | 35.4° |
| N | C11 | C16 | C12 | 179.5° | 179.6° |
| N | C11 | C16 | C15 | 179.7° | 180.0° |
| N | C11 | C12 | C13 | 179.7° | 180.0° |
| N | C11 | C12 | H4 | 0.3° | 0.1° |
| N | C11 | C16 | H6 | 0.3° | 0.1° |
| C11 | C16 | C15 | H6 | 180.0° | 179.9° |
| C16 | C11 | C12 | C13 | 0.8° | 0.4° |
| C11 | C16 | C15 | C14 | 0.0° | 0.0° |
| C16 | C11 | C12 | H4 | 179.2° | 179.7° |
| C11 | C16 | C15 | H5 | 179.9° | 180.0° |
| C16 | C11 | N | H7 | 177.8° | 35.0° |
| C12 | C11 | C16 | C15 | 0.8° | 0.4° |
| C11 | C12 | C13 | H4 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H3 | 179.9° | 180.0° |
| C12 | C11 | C16 | H6 | 179.2° | 179.7° |
| C12 | C11 | N | H7 | 1.7° | 144.6° |
| C16 | C15 | C14 | H5 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.8° | 0.3° |
| C16 | C15 | C14 | S14 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 0.8° | 0.3° |
| C12 | C13 | C14 | H3 | 180.0° | 180.0° |
| C12 | C13 | C14 | S14 | 179.6° | 180.0° |
| C15 | C14 | C13 | S14 | 179.6° | 179.7° |
| C15 | C14 | S14 | N18 | 123.2° | 90.3° |
| C15 | C14 | S14 | O19 | 6.1° | 23.3° |
| C15 | C14 | S14 | O17 | 118.8° | 156.2° |
| C15 | C14 | C13 | H3 | 179.2° | 179.7° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C13 | C14 | S14 | N18 | 57.3° | 90.0° |
| C13 | C14 | S14 | O19 | 174.4° | 156.5° |
| C13 | C14 | S14 | O17 | 60.7° | 23.5° |
| C14 | C13 | C12 | H4 | 180.0° | 180.0° |
| C13 | C14 | C15 | H5 | 179.1° | 179.7° |
| C14 | S14 | N18 | O19 | 114.1° | 113.5° |
| C14 | S14 | N18 | O17 | 115.2° | 113.5° |
| C14 | S14 | O19 | O17 | 118.9° | 123.0° |
| C14 | S14 | N18 | H1 | 180.0° | 120.0° |
| C14 | S14 | N18 | H2 | 60.0° | 60.0° |
| S14 | C14 | C13 | H3 | 0.4° | 0.0° |
| S14 | C14 | C15 | H5 | 0.4° | 0.0° |
| N18 | S14 | O19 | O17 | 127.8° | 122.9° |
| S14 | N18 | H1 | H2 | 120.0° | 179.9° |
| O19 | S14 | N18 | H1 | 65.9° | 126.4° |
| O19 | S14 | N18 | H2 | 54.1° | 53.5° |
| O17 | S14 | N18 | H1 | 64.8° | 6.5° |
| O17 | S14 | N18 | H2 | 175.2° | 173.6° |
| H3 | C13 | C12 | H4 | 0.1° | 0.1° |
| H5 | C15 | C16 | H6 | 0.1° | 0.0° |
| H9 | C4 | C3 | H10 | 0.1° | 0.4° |
| H10 | C3 | C2 | H11 | 0.3° | 0.6° |
| H12 | C | H13 | H14 | 120.0° | 119.9° |
