RYN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | sing | 1.33Å | 1.41Å | Aromatic |
| C2 | N1 | doub | 1.33Å | 1.32Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.38Å | Aromatic |
| C4 | N7 | sing | 1.38Å | 1.43Å | |
| C4 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N5 | doub | 1.33Å | 1.30Å | Aromatic |
| C6 | N11 | sing | 1.38Å | 1.42Å | |
| N7 | C8 | sing | 1.46Å | 1.43Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C8 | C10 | sing | 1.53Å | 1.49Å | |
| C9 | C8 | sing | 1.53Å | 1.49Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| N11 | C12 | sing | 1.46Å | 1.43Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.49Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| S21 | C2 | sing | 1.76Å | 1.76Å | |
| C22 | S21 | sing | 1.81Å | 1.75Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 119.4° | 120.0° |
| N1 | C6 | N5 | 119.5° | 120.0° |
| N1 | C6 | N11 | 124.0° | 120.0° |
| N1 | C2 | N3 | 121.1° | 120.0° |
| N1 | C2 | S21 | 119.8° | 120.0° |
| C2 | N3 | C4 | 118.7° | 119.9° |
| N3 | C2 | S21 | 119.2° | 120.0° |
| N3 | C4 | N7 | 124.3° | 119.9° |
| N3 | C4 | N5 | 120.2° | 120.0° |
| N7 | C4 | N5 | 115.4° | 120.0° |
| C4 | N7 | C8 | 148.5° | 120.0° |
| C4 | N7 | HN7 | 98.0° | 119.9° |
| C4 | N5 | C6 | 121.1° | 120.0° |
| N5 | C6 | N11 | 116.4° | 120.0° |
| C6 | N11 | C12 | 153.7° | 120.0° |
| C6 | N11 | HN11 | 96.7° | 120.0° |
| C8 | N7 | HN7 | 98.0° | 120.0° |
| N7 | C8 | C10 | 118.1° | 109.5° |
| N7 | C8 | C9 | 110.6° | 109.5° |
| N7 | C8 | H16 | 105.0° | 109.5° |
| C10 | C8 | C9 | 116.3° | 109.5° |
| C8 | C10 | H10 | 109.5° | 109.5° |
| C8 | C10 | H10A | 109.5° | 109.5° |
| C8 | C10 | H10B | 109.5° | 109.5° |
| C10 | C8 | H16 | 97.1° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.4° | 109.5° |
| C9 | C8 | H16 | 107.4° | 109.4° |
| C8 | C9 | H17 | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.4° |
| H9 | C9 | H17 | 109.5° | 109.5° |
| H9A | C9 | H17 | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.4° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.4° |
| C12 | N11 | HN11 | 96.7° | 120.0° |
| N11 | C12 | H12 | 108.5° | 109.4° |
| N11 | C12 | H12A | 108.5° | 109.5° |
| N11 | C12 | C13 | 112.5° | 109.5° |
| H12 | C12 | H12A | 110.5° | 109.5° |
| H12 | C12 | C13 | 108.5° | 109.5° |
| H12A | C12 | C13 | 108.5° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H13A | 109.5° | 109.5° |
| C12 | C13 | H13B | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.4° |
| H13A | C13 | H13B | 109.5° | 109.4° |
| C2 | S21 | C22 | 106.9° | 100.0° |
| S21 | C22 | H22 | 109.5° | 109.5° |
| S21 | C22 | H22A | 109.5° | 109.5° |
| S21 | C22 | H22B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.4° | 109.4° |
| H22 | C22 | H22B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | N3 | 0.9° | 0.0° |
| N1 | C6 | N5 | C4 | 2.0° | 0.0° |
| N1 | C6 | N5 | N11 | 178.5° | 180.0° |
| N1 | C6 | N11 | C12 | 160.9° | 0.1° |
| N1 | C6 | N11 | HN11 | 79.0° | 180.0° |
| C6 | N1 | C2 | S21 | 180.0° | 180.0° |
| N1 | C2 | N3 | S21 | 179.1° | 180.0° |
| N1 | C2 | N3 | C4 | 0.7° | 0.0° |
| C2 | N1 | C6 | N5 | 1.6° | 0.0° |
| C2 | N1 | C6 | N11 | 179.9° | 180.0° |
| N1 | C2 | S21 | C22 | 6.6° | 0.0° |
| C2 | N3 | C4 | N7 | 178.3° | 180.0° |
| C2 | N3 | C4 | N5 | 1.0° | 0.0° |
| N3 | C2 | S21 | C22 | 172.5° | 180.0° |
| N3 | C4 | N7 | N5 | 177.4° | 180.0° |
| N3 | C4 | N5 | C6 | 1.7° | 0.0° |
| N3 | C4 | N7 | C8 | 160.3° | 0.1° |
| N3 | C4 | N7 | HN7 | 40.3° | 180.0° |
| C4 | N3 | C2 | S21 | 179.8° | 180.0° |
| N7 | C4 | N5 | C6 | 179.2° | 180.0° |
| C4 | N7 | C8 | HN7 | 120.0° | 179.9° |
| C4 | N7 | C8 | C10 | 164.2° | 85.0° |
| C4 | N7 | C8 | C9 | 58.2° | 155.0° |
| C4 | N7 | C8 | H16 | 57.4° | 35.1° |
| C4 | N5 | C6 | N11 | 179.6° | 180.0° |
| N5 | C4 | N7 | C8 | 17.1° | 179.9° |
| N5 | C4 | N7 | HN7 | 137.1° | 0.0° |
| N5 | C6 | N11 | C12 | 17.4° | 180.0° |
| N5 | C6 | N11 | HN11 | 102.6° | 0.0° |
| C6 | N11 | C12 | HN11 | 120.0° | 179.9° |
| C6 | N11 | C12 | H12 | 87.9° | 60.1° |
| C6 | N11 | C12 | H12A | 152.0° | 60.0° |
| C6 | N11 | C12 | C13 | 32.1° | 180.0° |
| N7 | C8 | C10 | C9 | 135.3° | 120.0° |
| N7 | C8 | C10 | H16 | 111.2° | 120.0° |
| N7 | C8 | C9 | H16 | 114.0° | 120.0° |
| N7 | C8 | C9 | H9 | 180.0° | 60.0° |
| N7 | C8 | C9 | H9A | 60.0° | 180.0° |
| N7 | C8 | C10 | H10 | 180.0° | 60.0° |
| N7 | C8 | C10 | H10A | 60.0° | 180.0° |
| N7 | C8 | C10 | H10B | 60.0° | 60.0° |
| N7 | C8 | C9 | H17 | 60.0° | 60.0° |
| HN7 | N7 | C8 | C10 | 75.8° | 95.0° |
| HN7 | N7 | C8 | C9 | 61.9° | 25.1° |
| HN7 | N7 | C8 | H16 | 177.4° | 145.0° |
| C10 | C8 | C9 | H16 | 107.5° | 119.9° |
| C10 | C8 | C9 | H9 | 41.5° | 60.0° |
| C10 | C8 | C9 | H9A | 161.5° | 59.9° |
| C8 | C10 | H10 | H10A | 120.0° | 120.0° |
| C8 | C10 | H10 | H10B | 120.0° | 120.0° |
| C8 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | C8 | C9 | H17 | 78.5° | 180.0° |
| C8 | C9 | H9 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H17 | 120.0° | 120.0° |
| C8 | C9 | H9A | H17 | 120.0° | 120.0° |
| C9 | C8 | C10 | H10 | 44.7° | 180.0° |
| C9 | C8 | C10 | H10A | 75.3° | 59.9° |
| C9 | C8 | C10 | H10B | 164.7° | 60.0° |
| H9 | C9 | H9A | H17 | 120.0° | 120.0° |
| H9 | C9 | C8 | H16 | 66.0° | 180.0° |
| H9A | C9 | C8 | H16 | 54.1° | 60.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| H10 | C10 | C8 | H16 | 68.8° | 60.0° |
| H10A | C10 | C8 | H16 | 171.2° | 60.0° |
| H10B | C10 | C8 | H16 | 51.3° | 179.9° |
| N11 | C12 | H12 | H12A | 118.8° | 120.0° |
| N11 | C12 | H12 | C13 | 122.5° | 120.0° |
| N11 | C12 | H12A | C13 | 122.5° | 120.0° |
| N11 | C12 | C13 | H13 | 180.0° | 59.9° |
| N11 | C12 | C13 | H13A | 60.0° | 180.0° |
| N11 | C12 | C13 | H13B | 60.0° | 60.0° |
| HN11 | N11 | C12 | H12 | 32.1° | 120.0° |
| HN11 | N11 | C12 | H12A | 87.9° | 120.0° |
| HN11 | N11 | C12 | C13 | 152.1° | 0.0° |
| H12 | C12 | H12A | C13 | 118.7° | 120.0° |
| H12 | C12 | C13 | H13 | 60.0° | 60.0° |
| H12 | C12 | C13 | H13A | 180.0° | 60.0° |
| H12 | C12 | C13 | H13B | 60.0° | 180.0° |
| H12A | C12 | C13 | H13 | 60.0° | 180.0° |
| H12A | C12 | C13 | H13A | 60.0° | 60.0° |
| H12A | C12 | C13 | H13B | 180.0° | 60.0° |
| C12 | C13 | H13 | H13A | 120.0° | 120.1° |
| C12 | C13 | H13 | H13B | 120.0° | 120.0° |
| C12 | C13 | H13A | H13B | 120.0° | 120.0° |
| H13 | C13 | H13A | H13B | 120.0° | 119.9° |
| C2 | S21 | C22 | H22 | 180.0° | 60.0° |
| C2 | S21 | C22 | H22A | 60.0° | 60.0° |
| C2 | S21 | C22 | H22B | 60.0° | 180.0° |
| S21 | C22 | H22 | H22A | 120.0° | 120.0° |
| S21 | C22 | H22 | H22B | 120.0° | 120.0° |
| S21 | C22 | H22A | H22B | 120.0° | 120.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H16 | C8 | C9 | H17 | 174.0° | 60.0° |
