RH0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| C2 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | C | sing | 1.51Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.23Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C5 | S1 | sing | 1.81Å | 1.79Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| S1 | C6 | sing | 1.81Å | 1.77Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | H | 109.5° | 111.0° |
| N | C1 | C2 | 110.6° | 109.5° |
| N | C1 | C3 | 110.2° | 109.5° |
| N | C1 | H1 | 108.4° | 109.4° |
| C1 | N | H2 | 109.5° | 111.0° |
| H | N | H2 | 109.5° | 110.9° |
| C2 | C1 | C3 | 110.1° | 109.5° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C1 | C2 | O1 | 108.3° | 109.5° |
| C1 | C2 | C5 | 108.0° | 109.5° |
| C1 | C2 | H16 | 110.7° | 109.5° |
| C3 | C1 | H1 | 108.9° | 109.5° |
| C1 | C3 | C | 112.4° | 109.5° |
| C1 | C3 | H3 | 108.5° | 109.5° |
| C1 | C3 | H4 | 108.5° | 109.5° |
| O1 | C2 | C5 | 107.9° | 109.4° |
| O1 | C2 | H16 | 110.8° | 109.5° |
| C2 | O1 | H17 | 109.5° | 114.0° |
| C2 | C5 | S1 | 112.8° | 109.5° |
| C2 | C5 | H6 | 108.4° | 109.5° |
| C2 | C5 | H7 | 108.4° | 109.4° |
| C5 | C2 | H16 | 111.0° | 109.4° |
| C | C3 | H3 | 108.5° | 109.4° |
| C | C3 | H4 | 108.5° | 109.5° |
| C3 | C | O | 118.9° | 120.0° |
| C3 | C | OXT | 118.5° | 120.0° |
| H3 | C3 | H4 | 110.4° | 109.5° |
| O | C | OXT | 122.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.1° |
| S1 | C5 | H6 | 108.4° | 109.5° |
| S1 | C5 | H7 | 108.4° | 109.5° |
| C5 | S1 | C6 | 101.2° | 103.0° |
| H6 | C5 | H7 | 110.6° | 109.4° |
| S1 | C6 | C7 | 112.5° | 109.4° |
| S1 | C6 | H8 | 108.5° | 109.5° |
| S1 | C6 | H9 | 108.5° | 109.5° |
| C7 | C6 | H8 | 108.5° | 109.5° |
| C7 | C6 | H9 | 108.5° | 109.5° |
| C6 | C7 | C8 | 120.3° | 120.0° |
| C6 | C7 | C12 | 121.1° | 120.0° |
| H8 | C6 | H9 | 110.4° | 109.5° |
| C8 | C7 | C12 | 118.6° | 120.0° |
| C7 | C8 | C9 | 121.1° | 120.0° |
| C7 | C8 | H10 | 119.5° | 120.0° |
| C7 | C12 | C11 | 120.7° | 120.0° |
| C7 | C12 | H14 | 119.6° | 120.0° |
| C9 | C8 | H10 | 119.5° | 120.0° |
| C8 | C9 | C10 | 119.5° | 120.0° |
| C8 | C9 | H11 | 120.2° | 120.0° |
| C10 | C9 | H11 | 120.3° | 120.0° |
| C9 | C10 | C11 | 119.7° | 120.0° |
| C9 | C10 | H12 | 120.1° | 120.0° |
| C11 | C10 | H12 | 120.1° | 120.0° |
| C10 | C11 | C12 | 120.4° | 120.0° |
| C10 | C11 | H13 | 119.8° | 120.0° |
| C12 | C11 | H13 | 119.8° | 120.0° |
| C11 | C12 | H14 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | H | H2 | 120.0° | 123.9° |
| N | C1 | C2 | C3 | 122.1° | 120.0° |
| N | C1 | C2 | H1 | 118.8° | 120.0° |
| N | C1 | C3 | H1 | 118.8° | 119.9° |
| N | C1 | C2 | O1 | 172.3° | 179.9° |
| N | C1 | C2 | C5 | 71.1° | 60.0° |
| N | C1 | C3 | C | 84.7° | 64.9° |
| N | C1 | C3 | H3 | 35.3° | 55.0° |
| N | C1 | C3 | H4 | 155.3° | 175.1° |
| N | C1 | C2 | H16 | 50.7° | 60.0° |
| H | N | C1 | C2 | 180.0° | 63.9° |
| H | N | C1 | C3 | 58.0° | 176.1° |
| H | N | C1 | H1 | 61.1° | 56.1° |
| C2 | C1 | C3 | H1 | 118.9° | 120.0° |
| C1 | C2 | O1 | C5 | 116.7° | 120.0° |
| C1 | C2 | O1 | H16 | 121.5° | 120.0° |
| C1 | C2 | C5 | H16 | 121.5° | 120.0° |
| C2 | C1 | C3 | C | 153.0° | 175.0° |
| C2 | C1 | C3 | H3 | 87.0° | 65.0° |
| C2 | C1 | C3 | H4 | 33.0° | 55.0° |
| C1 | C2 | C5 | S1 | 171.2° | 175.0° |
| C1 | C2 | C5 | H6 | 51.2° | 55.0° |
| C1 | C2 | C5 | H7 | 68.8° | 65.0° |
| C2 | C1 | N | H2 | 60.0° | 60.0° |
| C1 | C2 | O1 | H17 | 180.0° | 59.9° |
| C3 | C1 | C2 | O1 | 50.3° | 60.0° |
| C3 | C1 | C2 | C5 | 166.9° | 180.0° |
| C1 | C3 | C | H3 | 120.0° | 120.0° |
| C1 | C3 | C | H4 | 120.0° | 120.0° |
| C1 | C3 | H3 | H4 | 118.8° | 120.0° |
| C1 | C3 | C | O | 96.2° | 0.1° |
| C1 | C3 | C | OXT | 83.2° | 180.0° |
| C3 | C1 | N | H2 | 178.0° | 60.0° |
| C3 | C1 | C2 | H16 | 71.4° | 60.0° |
| H1 | C1 | C2 | O1 | 68.9° | 60.0° |
| H1 | C1 | C2 | C5 | 47.7° | 60.0° |
| H1 | C1 | C3 | C | 34.1° | 55.0° |
| H1 | C1 | C3 | H3 | 154.1° | 175.0° |
| H1 | C1 | C3 | H4 | 85.9° | 65.0° |
| H1 | C1 | N | H2 | 58.9° | 180.0° |
| H1 | C1 | C2 | H16 | 169.5° | 179.9° |
| O1 | C2 | C5 | H16 | 121.6° | 120.0° |
| O1 | C2 | C5 | S1 | 72.0° | 65.0° |
| O1 | C2 | C5 | H6 | 168.1° | 175.0° |
| O1 | C2 | C5 | H7 | 48.1° | 55.0° |
| C2 | C5 | S1 | H6 | 120.0° | 120.0° |
| C2 | C5 | S1 | H7 | 120.0° | 120.0° |
| C2 | C5 | H6 | H7 | 118.6° | 119.9° |
| C2 | C5 | S1 | C6 | 65.0° | 180.0° |
| C5 | C2 | O1 | H17 | 63.3° | 60.1° |
| C | C3 | H3 | H4 | 118.8° | 120.0° |
| C3 | C | O | OXT | 179.3° | 179.9° |
| C3 | C | OXT | HXT | 179.3° | 180.0° |
| H3 | C3 | C | O | 143.9° | 120.1° |
| H3 | C3 | C | OXT | 36.8° | 60.0° |
| H4 | C3 | C | O | 23.8° | 119.9° |
| H4 | C3 | C | OXT | 156.9° | 59.9° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| S1 | C5 | H6 | H7 | 118.6° | 120.0° |
| C5 | S1 | C6 | C7 | 151.1° | 180.0° |
| C5 | S1 | C6 | H8 | 31.1° | 60.0° |
| C5 | S1 | C6 | H9 | 88.9° | 60.0° |
| S1 | C5 | C2 | H16 | 49.7° | 55.0° |
| H6 | C5 | S1 | C6 | 175.0° | 60.0° |
| H6 | C5 | C2 | H16 | 70.3° | 65.0° |
| H7 | C5 | S1 | C6 | 55.0° | 60.0° |
| H7 | C5 | C2 | H16 | 169.7° | 175.1° |
| S1 | C6 | C7 | H8 | 120.0° | 120.0° |
| S1 | C6 | C7 | H9 | 120.0° | 120.0° |
| S1 | C6 | H8 | H9 | 118.8° | 120.0° |
| S1 | C6 | C7 | C8 | 177.2° | 90.0° |
| S1 | C6 | C7 | C12 | 1.3° | 90.3° |
| C7 | C6 | H8 | H9 | 118.8° | 120.0° |
| C6 | C7 | C8 | C12 | 178.5° | 179.7° |
| C6 | C7 | C8 | C9 | 178.2° | 180.0° |
| C6 | C7 | C8 | H10 | 1.8° | 0.0° |
| C6 | C7 | C12 | C11 | 178.2° | 179.8° |
| C6 | C7 | C12 | H14 | 1.8° | 0.0° |
| H8 | C6 | C7 | C8 | 62.8° | 30.0° |
| H8 | C6 | C7 | C12 | 118.7° | 149.7° |
| H9 | C6 | C7 | C8 | 57.2° | 150.0° |
| H9 | C6 | C7 | C12 | 121.3° | 29.7° |
| C7 | C8 | C9 | H10 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C7 | C8 | C9 | H11 | 179.8° | 180.0° |
| C8 | C7 | C12 | C11 | 0.3° | 0.5° |
| C8 | C7 | C12 | H14 | 179.6° | 179.7° |
| C12 | C7 | C8 | C9 | 0.4° | 0.3° |
| C12 | C7 | C8 | H10 | 179.6° | 179.7° |
| C7 | C12 | C11 | C10 | 0.1° | 0.5° |
| C7 | C12 | C11 | H14 | 180.0° | 179.8° |
| C7 | C12 | C11 | H13 | 179.9° | 179.8° |
| C8 | C9 | C10 | H11 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | H12 | 179.9° | 180.0° |
| H10 | C8 | C9 | C10 | 179.8° | 180.0° |
| H10 | C8 | C9 | H11 | 0.2° | 0.0° |
| C9 | C10 | C11 | H12 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.3° |
| C9 | C10 | C11 | H13 | 179.9° | 180.0° |
| H11 | C9 | C10 | C11 | 179.9° | 180.0° |
| H11 | C9 | C10 | H12 | 0.1° | 0.1° |
| C10 | C11 | C12 | H13 | 180.0° | 179.7° |
| C10 | C11 | C12 | H14 | 179.9° | 179.7° |
| H12 | C10 | C11 | C12 | 179.9° | 179.8° |
| H12 | C10 | C11 | H13 | 0.1° | 0.1° |
| H13 | C11 | C12 | H14 | 0.1° | 0.0° |
| H16 | C2 | O1 | H17 | 58.5° | 180.0° |
