7XA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | N9 | sing | 1.42Å | 1.37Å | |
| O11 | C8 | doub | 1.21Å | 1.19Å | |
| N9 | C8 | sing | 1.35Å | 1.28Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| O10 | H1 | sing | 0.97Å | 0.95Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | N9 | C8 | 123.0° | 120.0° |
| N9 | O10 | H1 | 109.5° | 114.0° |
| O10 | N9 | HN9 | 118.4° | 120.0° |
| O11 | C8 | N9 | 123.2° | 120.0° |
| O11 | C8 | C7 | 122.1° | 120.0° |
| N9 | C8 | C7 | 114.5° | 120.0° |
| C8 | N9 | HN9 | 118.5° | 120.0° |
| C8 | C7 | C6 | 112.9° | 109.4° |
| C8 | C7 | H71 | 108.6° | 109.5° |
| C8 | C7 | H72 | 108.6° | 109.5° |
| C7 | C6 | C5 | 109.0° | 109.5° |
| C6 | C7 | H71 | 108.6° | 109.5° |
| C6 | C7 | H72 | 108.6° | 109.5° |
| C7 | C6 | H62 | 109.6° | 109.5° |
| C7 | C6 | H61 | 109.6° | 109.5° |
| C6 | C5 | C4 | 109.2° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | C6 | H61 | 109.6° | 109.5° |
| C6 | C5 | H52 | 109.5° | 109.5° |
| C6 | C5 | H51 | 109.5° | 109.5° |
| C5 | C4 | C3 | 111.9° | 109.5° |
| C4 | C5 | H52 | 109.5° | 109.4° |
| C4 | C5 | H51 | 109.5° | 109.5° |
| C5 | C4 | H41 | 108.8° | 109.4° |
| C5 | C4 | H42 | 108.8° | 109.5° |
| C4 | C3 | C2 | 109.2° | 109.5° |
| C3 | C4 | H41 | 108.9° | 109.4° |
| C3 | C4 | H42 | 108.9° | 109.5° |
| C4 | C3 | H32 | 109.5° | 109.5° |
| C4 | C3 | H31 | 109.5° | 109.5° |
| C3 | C2 | N1 | 108.8° | 109.5° |
| C2 | C3 | H32 | 109.5° | 109.5° |
| C2 | C3 | H31 | 109.5° | 109.5° |
| C3 | C2 | H21 | 109.7° | 109.5° |
| C3 | C2 | H22 | 109.6° | 109.5° |
| N1 | C2 | H21 | 109.6° | 109.4° |
| N1 | C2 | H22 | 109.7° | 109.5° |
| C2 | N1 | HN11 | 109.5° | 111.0° |
| C2 | N1 | HN13 | 109.4° | 111.0° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H62 | C6 | H61 | 109.5° | 109.5° |
| H52 | C5 | H51 | 109.4° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| H32 | C3 | H31 | 109.5° | 109.4° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| HN11 | N1 | HN13 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | N9 | C8 | O11 | 2.3° | 0.0° |
| O10 | N9 | C8 | HN9 | 180.0° | 180.0° |
| O10 | N9 | C8 | C7 | 177.4° | 180.0° |
| O11 | C8 | N9 | C7 | 175.0° | 179.9° |
| O11 | C8 | C7 | C6 | 52.1° | 0.0° |
| O11 | C8 | N9 | HN9 | 177.7° | 180.0° |
| O11 | C8 | C7 | H71 | 68.5° | 120.0° |
| O11 | C8 | C7 | H72 | 172.6° | 120.0° |
| N9 | C8 | C7 | C6 | 132.8° | 180.0° |
| C8 | N9 | O10 | H1 | 1.0° | 180.0° |
| N9 | C8 | C7 | H71 | 106.6° | 60.0° |
| N9 | C8 | C7 | H72 | 12.3° | 60.0° |
| C8 | C7 | C6 | H71 | 120.5° | 120.0° |
| C8 | C7 | C6 | H72 | 120.5° | 120.0° |
| C8 | C7 | C6 | C5 | 173.3° | 180.0° |
| C7 | C8 | N9 | HN9 | 2.6° | 0.0° |
| C8 | C7 | H71 | H72 | 118.4° | 120.0° |
| C8 | C7 | C6 | H62 | 66.8° | 60.0° |
| C8 | C7 | C6 | H61 | 53.4° | 60.0° |
| C7 | C6 | C5 | H62 | 120.0° | 120.0° |
| C7 | C6 | C5 | H61 | 119.9° | 120.0° |
| C7 | C6 | C5 | C4 | 176.8° | 180.0° |
| C6 | C7 | H71 | H72 | 118.4° | 120.0° |
| C7 | C6 | H62 | H61 | 120.2° | 120.0° |
| C7 | C6 | C5 | H52 | 63.2° | 60.0° |
| C7 | C6 | C5 | H51 | 56.8° | 60.0° |
| C6 | C5 | C4 | H52 | 120.0° | 120.0° |
| C6 | C5 | C4 | H51 | 120.0° | 120.0° |
| C6 | C5 | C4 | C3 | 176.0° | 180.0° |
| C5 | C6 | C7 | H71 | 52.8° | 60.0° |
| C5 | C6 | C7 | H72 | 66.2° | 60.0° |
| C5 | C6 | H62 | H61 | 120.2° | 120.0° |
| C6 | C5 | H52 | H51 | 120.1° | 120.0° |
| C6 | C5 | C4 | H41 | 63.7° | 60.0° |
| C6 | C5 | C4 | H42 | 55.6° | 60.0° |
| C5 | C4 | C3 | H41 | 120.4° | 120.0° |
| C5 | C4 | C3 | H42 | 120.4° | 120.1° |
| C5 | C4 | C3 | C2 | 178.5° | 180.0° |
| C4 | C5 | C6 | H62 | 56.9° | 60.0° |
| C4 | C5 | C6 | H61 | 63.3° | 59.9° |
| C4 | C5 | H52 | H51 | 120.1° | 120.0° |
| C5 | C4 | H41 | H42 | 118.9° | 120.0° |
| C5 | C4 | C3 | H32 | 61.6° | 60.0° |
| C5 | C4 | C3 | H31 | 58.5° | 59.9° |
| C4 | C3 | C2 | H32 | 120.0° | 120.0° |
| C4 | C3 | C2 | H31 | 120.0° | 120.0° |
| C4 | C3 | C2 | N1 | 175.5° | 180.0° |
| C3 | C4 | C5 | H52 | 56.0° | 60.0° |
| C3 | C4 | C5 | H51 | 64.0° | 60.0° |
| C3 | C4 | H41 | H42 | 118.9° | 120.0° |
| C4 | C3 | H32 | H31 | 120.1° | 119.9° |
| C4 | C3 | C2 | H21 | 55.6° | 60.0° |
| C4 | C3 | C2 | H22 | 64.6° | 60.0° |
| C3 | C2 | N1 | H21 | 119.9° | 120.0° |
| C3 | C2 | N1 | H22 | 119.9° | 120.0° |
| C2 | C3 | C4 | H41 | 58.1° | 60.0° |
| C2 | C3 | C4 | H42 | 61.2° | 60.0° |
| C2 | C3 | H32 | H31 | 120.1° | 120.0° |
| C3 | C2 | H21 | H22 | 120.3° | 120.0° |
| C3 | C2 | N1 | HN11 | 180.0° | 179.9° |
| C3 | C2 | N1 | HN13 | 60.0° | 56.1° |
| N1 | C2 | C3 | H32 | 64.5° | 60.0° |
| N1 | C2 | C3 | H31 | 55.6° | 60.0° |
| N1 | C2 | H21 | H22 | 120.3° | 120.0° |
| C2 | N1 | HN11 | HN13 | 120.0° | 123.9° |
| H1 | O10 | N9 | HN9 | 179.0° | 0.0° |
| H71 | C7 | C6 | H62 | 172.7° | 180.0° |
| H71 | C7 | C6 | H61 | 67.1° | 60.0° |
| H72 | C7 | C6 | H62 | 53.7° | 60.0° |
| H72 | C7 | C6 | H61 | 173.9° | 180.0° |
| H62 | C6 | C5 | H52 | 176.8° | 180.0° |
| H62 | C6 | C5 | H51 | 63.1° | 60.0° |
| H61 | C6 | C5 | H52 | 56.7° | 60.0° |
| H61 | C6 | C5 | H51 | 176.7° | 180.0° |
| H52 | C5 | C4 | H41 | 176.4° | 180.0° |
| H52 | C5 | C4 | H42 | 64.4° | 60.0° |
| H51 | C5 | C4 | H41 | 56.3° | 60.0° |
| H51 | C5 | C4 | H42 | 175.6° | 180.0° |
| H41 | C4 | C3 | H32 | 178.1° | 180.0° |
| H41 | C4 | C3 | H31 | 61.8° | 60.0° |
| H42 | C4 | C3 | H32 | 58.8° | 60.1° |
| H42 | C4 | C3 | H31 | 178.9° | 180.0° |
| H32 | C3 | C2 | H21 | 175.6° | 180.0° |
| H32 | C3 | C2 | H22 | 55.4° | 60.0° |
| H31 | C3 | C2 | H21 | 64.3° | 60.0° |
| H31 | C3 | C2 | H22 | 175.5° | 180.0° |
| H21 | C2 | N1 | HN11 | 60.1° | 60.1° |
| H21 | C2 | N1 | HN13 | 179.9° | 176.1° |
| H22 | C2 | N1 | HN11 | 60.1° | 59.9° |
| H22 | C2 | N1 | HN13 | 59.9° | 64.0° |
