RNU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.32Å | 1.34Å | |
| C3 | N1 | sing | 1.38Å | 1.39Å | |
| C2 | S1 | sing | 1.78Å | 1.73Å | |
| N1 | C1 | sing | 1.47Å | 1.30Å | |
| S1 | C1 | sing | 1.83Å | 1.72Å | |
| C1 | N2 | sing | 1.46Å | 1.38Å | |
| N2 | C4 | sing | 1.35Å | 1.36Å | |
| C4 | O1 | doub | 1.21Å | 1.22Å | |
| C4 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C13 | sing | 1.55Å | 1.52Å | |
| C6 | N3 | sing | 1.46Å | 1.47Å | |
| C13 | S2 | sing | 1.84Å | 1.81Å | |
| S2 | C12 | sing | 1.84Å | 1.82Å | |
| O3 | C11 | doub | 1.22Å | 1.23Å | |
| N3 | C11 | sing | 1.35Å | 1.35Å | |
| N3 | C12 | sing | 1.48Å | 1.48Å | |
| C11 | C8 | sing | 1.47Å | 1.45Å | |
| C8 | C7 | doub | 1.36Å | 1.34Å | Aromatic |
| C8 | O2 | sing | 1.35Å | 1.38Å | Aromatic |
| C7 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| O2 | C9 | sing | 1.34Å | 1.37Å | Aromatic |
| C10 | C9 | doub | 1.35Å | 1.34Å | Aromatic |
| C9 | C14 | sing | 1.51Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C2 | C3 | 129.7° | 126.9° |
| C5 | C2 | S1 | 122.6° | 126.9° |
| C2 | C5 | H51 | 109.5° | 109.4° |
| C2 | C5 | H53 | 109.5° | 109.4° |
| C2 | C5 | H52 | 109.4° | 109.4° |
| C2 | C3 | N1 | 117.2° | 121.1° |
| C3 | C2 | S1 | 107.7° | 106.2° |
| C2 | C3 | H31 | 121.4° | 119.4° |
| C3 | N1 | C1 | 109.7° | 114.5° |
| N1 | C3 | H31 | 121.4° | 119.6° |
| C3 | N1 | H2 | 109.4° | 122.8° |
| C2 | S1 | C1 | 89.8° | 95.9° |
| N1 | C1 | S1 | 113.7° | 102.3° |
| N1 | C1 | N2 | 120.9° | 110.9° |
| N1 | C1 | H1 | 91.3° | 110.8° |
| C1 | N1 | H2 | 109.4° | 122.7° |
| S1 | C1 | N2 | 125.3° | 110.9° |
| S1 | C1 | H1 | 91.0° | 110.8° |
| C1 | N2 | C4 | 125.2° | 120.0° |
| N2 | C1 | H1 | 91.3° | 110.8° |
| C1 | N2 | H21 | 117.4° | 120.0° |
| N2 | C4 | O1 | 124.0° | 120.0° |
| N2 | C4 | C6 | 113.8° | 120.0° |
| C4 | N2 | H21 | 117.4° | 120.0° |
| O1 | C4 | C6 | 122.2° | 120.0° |
| C4 | C6 | C13 | 112.2° | 108.8° |
| C4 | C6 | N3 | 111.6° | 108.9° |
| C4 | C6 | H61 | 109.1° | 108.7° |
| C13 | C6 | N3 | 104.7° | 113.0° |
| C6 | C13 | S2 | 102.1° | 101.3° |
| C6 | C13 | H131 | 111.3° | 111.1° |
| C6 | C13 | H132 | 111.3° | 111.0° |
| C13 | C6 | H61 | 109.2° | 108.8° |
| C6 | N3 | C11 | 119.0° | 122.4° |
| C6 | N3 | C12 | 114.7° | 115.1° |
| N3 | C6 | H61 | 109.9° | 108.6° |
| C13 | S2 | C12 | 89.3° | 93.9° |
| S2 | C13 | H131 | 111.3° | 111.1° |
| S2 | C13 | H132 | 111.3° | 111.1° |
| S2 | C12 | N3 | 104.6° | 102.8° |
| S2 | C12 | H122 | 110.6° | 110.7° |
| S2 | C12 | H121 | 110.6° | 110.8° |
| O3 | C11 | N3 | 120.9° | 120.0° |
| O3 | C11 | C8 | 119.2° | 120.0° |
| C11 | N3 | C12 | 126.2° | 122.5° |
| N3 | C11 | C8 | 119.9° | 120.0° |
| N3 | C12 | H122 | 110.7° | 110.8° |
| N3 | C12 | H121 | 110.7° | 110.8° |
| C11 | C8 | C7 | 134.7° | 126.0° |
| C11 | C8 | O2 | 116.1° | 125.9° |
| C7 | C8 | O2 | 109.2° | 108.1° |
| C8 | C7 | C10 | 107.0° | 106.7° |
| C8 | C7 | H71 | 126.5° | 126.7° |
| C8 | O2 | C9 | 107.2° | 109.4° |
| C7 | C10 | C9 | 107.4° | 107.2° |
| C7 | C10 | H101 | 126.3° | 126.5° |
| C10 | C7 | H71 | 126.5° | 126.6° |
| O2 | C9 | C10 | 109.3° | 108.7° |
| O2 | C9 | C14 | 116.2° | 125.6° |
| C10 | C9 | C14 | 134.5° | 125.7° |
| C9 | C10 | H101 | 126.3° | 126.4° |
| C9 | C14 | H143 | 109.5° | 109.4° |
| C9 | C14 | H141 | 109.5° | 109.5° |
| C9 | C14 | H142 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 110.7° |
| H131 | C13 | H132 | 109.5° | 111.0° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H51 | C5 | H53 | 109.4° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H53 | C5 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C2 | C3 | S1 | 179.9° | 179.8° |
| C5 | C2 | C3 | N1 | 171.5° | 179.9° |
| C5 | C2 | S1 | C1 | 168.6° | 179.9° |
| C5 | C2 | C3 | H31 | 8.5° | 0.1° |
| C2 | C5 | H51 | H53 | 120.0° | 120.0° |
| C2 | C5 | H51 | H52 | 120.0° | 120.0° |
| C2 | C5 | H53 | H52 | 120.0° | 119.9° |
| C2 | C3 | N1 | H31 | 180.0° | 180.0° |
| C2 | C3 | N1 | C1 | 0.8° | 0.1° |
| C3 | C2 | S1 | C1 | 11.5° | 0.1° |
| C3 | C2 | C5 | H51 | 179.9° | 179.9° |
| C3 | C2 | C5 | H53 | 60.1° | 60.1° |
| C3 | C2 | C5 | H52 | 59.9° | 59.9° |
| C2 | C3 | N1 | H2 | 119.3° | 180.0° |
| N1 | C3 | C2 | S1 | 8.6° | 0.0° |
| C3 | N1 | C1 | H2 | 120.0° | 179.9° |
| C3 | N1 | C1 | S1 | 10.2° | 0.2° |
| C3 | N1 | C1 | N2 | 165.8° | 118.1° |
| C3 | N1 | C1 | H1 | 101.9° | 118.4° |
| C2 | S1 | C1 | N1 | 13.0° | 0.1° |
| C2 | S1 | C1 | N2 | 162.8° | 118.2° |
| C2 | S1 | C1 | H1 | 104.9° | 118.4° |
| S1 | C2 | C3 | H31 | 171.4° | 180.0° |
| S1 | C2 | C5 | H51 | 0.0° | 0.1° |
| S1 | C2 | C5 | H53 | 120.0° | 120.1° |
| S1 | C2 | C5 | H52 | 120.0° | 120.0° |
| N1 | C1 | S1 | N2 | 175.8° | 118.3° |
| N1 | C1 | S1 | H1 | 91.9° | 118.2° |
| N1 | C1 | N2 | H1 | 92.3° | 123.5° |
| N1 | C1 | N2 | C4 | 140.2° | 167.8° |
| C1 | N1 | C3 | H31 | 179.2° | 179.9° |
| N1 | C1 | N2 | H21 | 39.8° | 12.2° |
| S1 | C1 | N2 | H1 | 92.1° | 123.5° |
| S1 | C1 | N2 | C4 | 44.3° | 79.2° |
| S1 | C1 | N1 | H2 | 109.8° | 180.0° |
| S1 | C1 | N2 | H21 | 135.7° | 100.8° |
| C1 | N2 | C4 | H21 | 180.0° | 180.0° |
| C1 | N2 | C4 | O1 | 1.7° | 0.0° |
| C1 | N2 | C4 | C6 | 179.8° | 180.0° |
| N2 | C1 | N1 | H2 | 74.1° | 61.8° |
| N2 | C4 | O1 | C6 | 178.0° | 180.0° |
| N2 | C4 | C6 | C13 | 70.7° | 61.4° |
| N2 | C4 | C6 | N3 | 172.1° | 175.0° |
| C4 | N2 | C1 | H1 | 47.9° | 44.3° |
| N2 | C4 | C6 | H61 | 50.4° | 56.8° |
| O1 | C4 | C6 | C13 | 111.1° | 118.5° |
| O1 | C4 | C6 | N3 | 6.1° | 5.0° |
| O1 | C4 | C6 | H61 | 127.7° | 123.2° |
| O1 | C4 | N2 | H21 | 178.3° | 180.0° |
| C4 | C6 | C13 | N3 | 121.3° | 121.1° |
| C4 | C6 | C13 | H61 | 121.1° | 118.3° |
| C4 | C6 | N3 | H61 | 121.1° | 118.2° |
| C4 | C6 | C13 | S2 | 74.0° | 144.0° |
| C4 | C6 | N3 | C11 | 89.2° | 60.2° |
| C4 | C6 | N3 | C12 | 94.9° | 119.8° |
| C4 | C6 | C13 | H131 | 167.1° | 97.9° |
| C4 | C6 | C13 | H132 | 44.8° | 26.0° |
| C6 | C4 | N2 | H21 | 0.1° | 0.0° |
| C13 | C6 | N3 | H61 | 117.2° | 120.8° |
| C6 | C13 | S2 | H131 | 118.8° | 118.0° |
| C6 | C13 | S2 | H132 | 118.8° | 117.9° |
| C6 | C13 | S2 | C12 | 45.1° | 32.2° |
| C13 | C6 | N3 | C11 | 149.2° | 178.8° |
| C13 | C6 | N3 | C12 | 26.8° | 1.2° |
| C6 | C13 | H131 | H132 | 123.4° | 124.0° |
| N3 | C6 | C13 | S2 | 47.2° | 23.0° |
| C6 | N3 | C12 | S2 | 6.4° | 24.9° |
| C6 | N3 | C11 | O3 | 11.5° | 0.0° |
| C6 | N3 | C11 | C12 | 175.4° | 180.0° |
| C6 | N3 | C11 | C8 | 169.1° | 180.0° |
| C6 | N3 | C12 | H122 | 112.8° | 93.5° |
| C6 | N3 | C12 | H121 | 125.6° | 143.3° |
| N3 | C6 | C13 | H131 | 71.6° | 141.0° |
| N3 | C6 | C13 | H132 | 166.0° | 95.0° |
| C13 | S2 | C12 | N3 | 30.0° | 33.5° |
| C13 | S2 | C12 | H122 | 89.2° | 84.9° |
| C13 | S2 | C12 | H121 | 149.3° | 151.9° |
| S2 | C13 | H131 | H132 | 123.4° | 124.1° |
| S2 | C13 | C6 | H61 | 164.9° | 97.7° |
| S2 | C12 | N3 | C11 | 178.0° | 155.1° |
| S2 | C12 | N3 | H122 | 119.2° | 118.3° |
| S2 | C12 | N3 | H121 | 119.2° | 118.4° |
| S2 | C12 | H122 | H121 | 122.2° | 123.3° |
| C12 | S2 | C13 | H131 | 73.7° | 150.2° |
| C12 | S2 | C13 | H132 | 163.9° | 85.8° |
| O3 | C11 | N3 | C8 | 179.4° | 180.0° |
| O3 | C11 | N3 | C12 | 163.9° | 179.9° |
| O3 | C11 | C8 | C7 | 145.8° | 0.1° |
| O3 | C11 | C8 | O2 | 35.0° | 179.9° |
| N3 | C11 | C8 | C7 | 34.8° | 180.0° |
| N3 | C11 | C8 | O2 | 144.4° | 0.0° |
| C11 | N3 | C12 | H122 | 62.8° | 86.6° |
| C11 | N3 | C12 | H121 | 58.8° | 36.7° |
| C11 | N3 | C6 | H61 | 32.0° | 58.0° |
| C12 | N3 | C11 | C8 | 15.5° | 0.0° |
| N3 | C12 | H122 | H121 | 122.3° | 123.3° |
| C12 | N3 | C6 | H61 | 143.9° | 122.0° |
| C11 | C8 | C7 | O2 | 179.3° | 180.0° |
| C11 | C8 | C7 | C10 | 179.5° | 180.0° |
| C11 | C8 | O2 | C9 | 179.7° | 180.0° |
| C11 | C8 | C7 | H71 | 0.5° | 0.0° |
| C8 | C7 | C10 | H71 | 180.0° | 179.9° |
| C7 | C8 | O2 | C9 | 0.8° | 0.0° |
| C8 | C7 | C10 | C9 | 1.1° | 0.1° |
| C8 | C7 | C10 | H101 | 178.9° | 179.7° |
| O2 | C8 | C7 | C10 | 1.2° | 0.0° |
| C8 | O2 | C9 | C10 | 0.1° | 0.1° |
| C8 | O2 | C9 | C14 | 179.7° | 179.8° |
| O2 | C8 | C7 | H71 | 178.8° | 180.0° |
| C7 | C10 | C9 | O2 | 0.6° | 0.1° |
| C7 | C10 | C9 | H101 | 180.0° | 179.6° |
| C7 | C10 | C9 | C14 | 179.6° | 179.8° |
| O2 | C9 | C10 | C14 | 179.8° | 179.8° |
| O2 | C9 | C10 | H101 | 179.4° | 179.7° |
| O2 | C9 | C14 | H143 | 0.0° | 90.2° |
| O2 | C9 | C14 | H141 | 120.0° | 29.8° |
| O2 | C9 | C14 | H142 | 120.0° | 149.8° |
| C10 | C9 | C14 | H143 | 179.8° | 90.0° |
| C10 | C9 | C14 | H141 | 60.2° | 150.0° |
| C10 | C9 | C14 | H142 | 59.8° | 30.0° |
| C9 | C10 | C7 | H71 | 178.9° | 180.0° |
| C14 | C9 | C10 | H101 | 0.4° | 0.1° |
| C9 | C14 | H143 | H141 | 120.0° | 120.0° |
| C9 | C14 | H143 | H142 | 120.0° | 120.0° |
| C9 | C14 | H141 | H142 | 120.0° | 120.0° |
| H1 | C1 | N1 | H2 | 18.1° | 61.7° |
| H1 | C1 | N2 | H21 | 132.1° | 135.7° |
| H101 | C10 | C7 | H71 | 1.1° | 0.3° |
| H131 | C13 | C6 | H61 | 46.0° | 20.4° |
| H132 | C13 | C6 | H61 | 76.3° | 144.3° |
| H143 | C14 | H141 | H142 | 120.0° | 120.0° |
| H31 | C3 | N1 | H2 | 60.8° | 0.0° |
| H51 | C5 | H53 | H52 | 120.0° | 120.1° |
