RUJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C5 | doub | 1.21Å | 1.24Å | |
| C5 | O7 | sing | 1.34Å | 1.26Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C21 | sing | 1.47Å | 1.45Å | |
| N2 | N1 | sing | 1.45Å | 1.39Å | |
| N1 | C8 | sing | 1.47Å | 1.48Å | |
| N1 | C9 | sing | 1.47Å | 1.48Å | |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C8 | H83C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C9 | H93C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C5 | O7 | 121.8° | 120.0° |
| O4 | C5 | C6 | 120.7° | 120.0° |
| O7 | C5 | C6 | 117.4° | 120.0° |
| C5 | O7 | H7 | 109.5° | 117.0° |
| C5 | C6 | C3 | 118.1° | 109.5° |
| C5 | C6 | H61C | 107.3° | 109.5° |
| C5 | C6 | H62C | 107.2° | 109.5° |
| C6 | C3 | N2 | 112.9° | 109.5° |
| C3 | C6 | H61C | 107.2° | 109.4° |
| C3 | C6 | H62C | 107.3° | 109.5° |
| C6 | C3 | H31C | 108.6° | 109.5° |
| C6 | C3 | H32C | 108.6° | 109.4° |
| C3 | N2 | C21 | 112.0° | 111.0° |
| C3 | N2 | N1 | 126.0° | 111.0° |
| N2 | C3 | H31C | 108.6° | 109.5° |
| N2 | C3 | H32C | 108.6° | 109.5° |
| C21 | N2 | N1 | 122.0° | 111.0° |
| N2 | C21 | H211 | 109.5° | 109.4° |
| N2 | C21 | H212 | 109.5° | 109.5° |
| N2 | C21 | H213 | 109.5° | 109.5° |
| N2 | N1 | C8 | 111.4° | 109.5° |
| N2 | N1 | C9 | 113.3° | 109.5° |
| N2 | N1 | C10 | 110.6° | 109.5° |
| C8 | N1 | C9 | 108.1° | 109.5° |
| C8 | N1 | C10 | 107.2° | 109.4° |
| N1 | C8 | H81C | 109.5° | 109.4° |
| N1 | C8 | H82C | 109.5° | 109.5° |
| N1 | C8 | H83C | 109.5° | 109.5° |
| C9 | N1 | C10 | 106.0° | 109.4° |
| N1 | C9 | H91C | 109.5° | 109.4° |
| N1 | C9 | H92C | 109.5° | 109.5° |
| N1 | C9 | H93C | 109.5° | 109.4° |
| N1 | C10 | H101 | 109.5° | 109.5° |
| N1 | C10 | H102 | 109.4° | 109.5° |
| N1 | C10 | H103 | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.4° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H81C | C8 | H82C | 109.4° | 109.5° |
| H81C | C8 | H83C | 109.4° | 109.4° |
| H82C | C8 | H83C | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H91C | C9 | H93C | 109.5° | 109.5° |
| H92C | C9 | H93C | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H101 | C10 | H103 | 109.5° | 109.4° |
| H102 | C10 | H103 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C5 | O7 | C6 | 176.4° | 179.8° |
| O4 | C5 | C6 | C3 | 67.4° | 0.0° |
| O4 | C5 | O7 | H7 | 0.0° | 0.1° |
| O4 | C5 | C6 | H61C | 171.4° | 120.0° |
| O4 | C5 | C6 | H62C | 53.8° | 120.0° |
| O7 | C5 | C6 | C3 | 116.1° | 179.8° |
| O7 | C5 | C6 | H61C | 5.1° | 60.3° |
| O7 | C5 | C6 | H62C | 122.7° | 59.8° |
| C5 | C6 | C3 | H61C | 121.2° | 120.0° |
| C5 | C6 | C3 | H62C | 121.2° | 120.0° |
| C5 | C6 | C3 | N2 | 77.3° | 179.2° |
| C6 | C5 | O7 | H7 | 176.5° | 179.7° |
| C5 | C6 | H61C | H62C | 116.1° | 120.0° |
| C5 | C6 | C3 | H31C | 162.2° | 60.8° |
| C5 | C6 | C3 | H32C | 43.3° | 59.2° |
| C6 | C3 | N2 | H31C | 120.5° | 120.0° |
| C6 | C3 | N2 | H32C | 120.5° | 119.9° |
| C6 | C3 | N2 | C21 | 71.9° | 75.5° |
| C6 | C3 | N2 | N1 | 110.7° | 160.6° |
| C3 | C6 | H61C | H62C | 116.1° | 120.0° |
| C6 | C3 | H31C | H32C | 118.4° | 120.0° |
| C3 | N2 | C21 | N1 | 177.5° | 124.0° |
| C3 | N2 | N1 | C8 | 111.2° | 57.5° |
| C3 | N2 | N1 | C9 | 10.9° | 177.5° |
| C3 | N2 | N1 | C10 | 129.7° | 62.5° |
| N2 | C3 | C6 | H61C | 44.0° | 59.1° |
| N2 | C3 | C6 | H62C | 161.5° | 60.8° |
| N2 | C3 | H31C | H32C | 118.4° | 120.0° |
| C3 | N2 | C21 | H211 | 180.0° | 60.0° |
| C3 | N2 | C21 | H212 | 60.0° | 180.0° |
| C3 | N2 | C21 | H213 | 60.0° | 60.0° |
| C21 | N2 | N1 | C8 | 71.6° | 66.5° |
| C21 | N2 | N1 | C9 | 166.3° | 53.6° |
| C21 | N2 | N1 | C10 | 47.5° | 173.5° |
| C21 | N2 | C3 | H31C | 167.6° | 164.5° |
| C21 | N2 | C3 | H32C | 48.6° | 44.4° |
| N2 | C21 | H211 | H212 | 120.0° | 120.0° |
| N2 | C21 | H211 | H213 | 120.0° | 120.0° |
| N2 | C21 | H212 | H213 | 120.0° | 120.0° |
| N2 | N1 | C8 | C9 | 125.0° | 120.1° |
| N2 | N1 | C8 | C10 | 121.1° | 120.0° |
| N2 | N1 | C9 | C10 | 121.5° | 120.0° |
| N1 | N2 | C3 | H31C | 9.8° | 40.5° |
| N1 | N2 | C3 | H32C | 128.8° | 79.5° |
| N1 | N2 | C21 | H211 | 2.5° | 176.0° |
| N1 | N2 | C21 | H212 | 117.5° | 56.0° |
| N1 | N2 | C21 | H213 | 122.5° | 64.0° |
| N2 | N1 | C8 | H81C | 180.0° | 60.0° |
| N2 | N1 | C8 | H82C | 60.0° | 180.0° |
| N2 | N1 | C8 | H83C | 60.0° | 59.9° |
| N2 | N1 | C9 | H91C | 180.0° | 59.9° |
| N2 | N1 | C9 | H92C | 60.0° | 180.0° |
| N2 | N1 | C9 | H93C | 60.0° | 60.0° |
| N2 | N1 | C10 | H101 | 180.0° | 67.8° |
| N2 | N1 | C10 | H102 | 60.0° | 172.2° |
| N2 | N1 | C10 | H103 | 60.0° | 52.1° |
| C8 | N1 | C9 | C10 | 114.6° | 119.9° |
| N1 | C8 | H81C | H82C | 120.0° | 120.0° |
| N1 | C8 | H81C | H83C | 120.0° | 120.0° |
| N1 | C8 | H82C | H83C | 120.0° | 120.1° |
| C8 | N1 | C9 | H91C | 56.1° | 180.0° |
| C8 | N1 | C9 | H92C | 63.9° | 59.9° |
| C8 | N1 | C9 | H93C | 176.1° | 60.1° |
| C8 | N1 | C10 | H101 | 58.4° | 52.2° |
| C8 | N1 | C10 | H102 | 178.4° | 67.8° |
| C8 | N1 | C10 | H103 | 61.6° | 172.2° |
| C9 | N1 | C8 | H81C | 55.0° | 60.1° |
| C9 | N1 | C8 | H82C | 174.9° | 59.9° |
| C9 | N1 | C8 | H83C | 65.0° | 180.0° |
| N1 | C9 | H91C | H92C | 120.0° | 120.0° |
| N1 | C9 | H91C | H93C | 120.0° | 119.9° |
| N1 | C9 | H92C | H93C | 120.0° | 120.0° |
| C9 | N1 | C10 | H101 | 56.9° | 172.2° |
| C9 | N1 | C10 | H102 | 63.1° | 52.2° |
| C9 | N1 | C10 | H103 | 176.9° | 67.9° |
| C10 | N1 | C8 | H81C | 58.9° | 180.0° |
| C10 | N1 | C8 | H82C | 61.1° | 60.0° |
| C10 | N1 | C8 | H83C | 178.9° | 60.1° |
| C10 | N1 | C9 | H91C | 58.6° | 60.1° |
| C10 | N1 | C9 | H92C | 178.6° | 60.0° |
| C10 | N1 | C9 | H93C | 61.4° | 180.0° |
| N1 | C10 | H101 | H102 | 120.0° | 120.1° |
| N1 | C10 | H101 | H103 | 120.0° | 120.0° |
| N1 | C10 | H102 | H103 | 120.0° | 120.1° |
| H61C | C6 | C3 | H31C | 76.5° | 179.2° |
| H61C | C6 | C3 | H32C | 164.5° | 60.8° |
| H62C | C6 | C3 | H31C | 41.0° | 59.2° |
| H62C | C6 | C3 | H32C | 77.9° | 179.2° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| H81C | C8 | H82C | H83C | 120.0° | 119.9° |
| H91C | C9 | H92C | H93C | 120.0° | 120.0° |
| H101 | C10 | H102 | H103 | 120.0° | 119.9° |
