5GQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | doub | 1.31Å | 1.39Å | |
| O | C4 | sing | 1.43Å | 1.41Å | |
| C6 | C7 | sing | 1.42Å | 1.39Å | |
| C6 | N | sing | 1.37Å | 1.36Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | doub | 1.36Å | 1.38Å | |
| N | C3 | sing | 1.47Å | 1.49Å | |
| N | C2 | sing | 1.37Å | 1.35Å | |
| C8 | C1 | sing | 1.41Å | 1.38Å | |
| C2 | C1 | doub | 1.35Å | 1.37Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| N1 | C5 | sing | 1.46Å | 9.96Å | |
| C4 | C5 | sing | 1.53Å | 10.55Å | |
| C5 | H2 | sing | 1.09Å | 0.00Å | |
| C5 | H3 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C6 | C7 | 116.8° | 118.5° |
| N1 | C6 | N | 125.2° | 122.2° |
| C6 | N1 | C5 | 97.3° | 122.3° |
| O | C4 | C3 | 106.2° | 109.7° |
| O | C4 | H1 | 127.6° | 109.7° |
| C4 | O | H7 | 109.5° | 114.0° |
| O | C4 | C5 | 71.6° | 109.8° |
| C7 | C6 | N | 117.9° | 119.3° |
| C6 | C7 | C8 | 119.6° | 119.5° |
| C6 | C7 | H5 | 120.2° | 120.3° |
| C6 | N | C3 | 120.2° | 120.8° |
| C6 | N | C2 | 122.2° | 120.3° |
| C4 | C3 | N | 114.0° | 109.1° |
| C3 | C4 | H1 | 124.8° | 109.7° |
| C4 | C3 | H8 | 108.3° | 109.6° |
| C4 | C3 | H9 | 108.4° | 109.5° |
| C3 | C4 | C5 | 90.8° | 108.3° |
| C7 | C8 | C1 | 121.3° | 119.6° |
| C8 | C7 | H5 | 120.2° | 120.1° |
| C7 | C8 | H6 | 119.3° | 120.2° |
| C3 | N | C2 | 117.6° | 118.9° |
| N | C3 | H8 | 108.4° | 109.5° |
| N | C3 | H9 | 108.3° | 109.6° |
| N | C2 | C1 | 121.4° | 121.0° |
| N | C2 | H10 | 119.3° | 119.5° |
| C8 | C1 | C2 | 117.6° | 120.2° |
| C8 | C1 | C | 121.4° | 119.9° |
| C1 | C8 | H6 | 119.4° | 120.2° |
| C2 | C1 | C | 121.0° | 119.9° |
| C1 | C2 | H10 | 119.3° | 119.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| H1 | C4 | C5 | 94.7° | 109.7° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H11 | C | H12 | 109.4° | 109.4° |
| H11 | C | H13 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
| N1 | C5 | C4 | 13.4° | 109.3° |
| N1 | C5 | H2 | 90.0° | 109.5° |
| N1 | C5 | H3 | 90.0° | 109.5° |
| C4 | C5 | H2 | 90.0° | 109.5° |
| C4 | C5 | H3 | 90.0° | 109.5° |
| H2 | C5 | H3 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C6 | C7 | N | 177.5° | 179.8° |
| N1 | C6 | C7 | C8 | 175.8° | 179.7° |
| N1 | C6 | N | C3 | 7.1° | 0.4° |
| N1 | C6 | N | C2 | 175.0° | 179.6° |
| N1 | C6 | C7 | H5 | 4.2° | 0.3° |
| C6 | N1 | C5 | C4 | 89.5° | 29.0° |
| C6 | N1 | C5 | H2 | 90.0° | 90.9° |
| C6 | N1 | C5 | H3 | 90.0° | 149.0° |
| O | C4 | C3 | H1 | 167.3° | 120.5° |
| O | C4 | C3 | C5 | 71.1° | 119.8° |
| O | C4 | C3 | N | 145.2° | 64.1° |
| O | C4 | H1 | C5 | 70.3° | 120.6° |
| O | C4 | C3 | H8 | 24.5° | 55.7° |
| O | C4 | C3 | H9 | 94.2° | 175.9° |
| O | C4 | C5 | N1 | 162.0° | 64.1° |
| O | C4 | C5 | H2 | 90.0° | 176.0° |
| O | C4 | C5 | H3 | 90.0° | 55.9° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C7 | C6 | N | C3 | 175.6° | 179.8° |
| C7 | C6 | N | C2 | 2.3° | 0.2° |
| C6 | C7 | C8 | C1 | 0.0° | 0.0° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C7 | C6 | N1 | C5 | 88.4° | 179.9° |
| C6 | N | C3 | C4 | 1.1° | 29.2° |
| N | C6 | C7 | C8 | 1.7° | 0.1° |
| C6 | N | C3 | C2 | 178.0° | 180.0° |
| C6 | N | C2 | C1 | 1.1° | 0.1° |
| N | C6 | C7 | H5 | 178.3° | 179.9° |
| C6 | N | C3 | H8 | 119.5° | 149.1° |
| C6 | N | C3 | H9 | 121.8° | 90.7° |
| C6 | N | C2 | H10 | 178.8° | 179.9° |
| N | C6 | N1 | C5 | 88.9° | 0.3° |
| C4 | C3 | N | H8 | 120.6° | 119.9° |
| C4 | C3 | N | H9 | 120.7° | 120.0° |
| C4 | C3 | N | C2 | 176.9° | 150.8° |
| C3 | C4 | H1 | C5 | 94.3° | 118.8° |
| C3 | C4 | O | H7 | 180.0° | 180.0° |
| C4 | C3 | H8 | H9 | 118.0° | 120.2° |
| C3 | C4 | C5 | N1 | 91.2° | 55.7° |
| C3 | C4 | C5 | H2 | 90.0° | 64.3° |
| C3 | C4 | C5 | H3 | 90.0° | 175.6° |
| C7 | C8 | C1 | H6 | 180.0° | 179.9° |
| C7 | C8 | C1 | C2 | 1.2° | 0.0° |
| C7 | C8 | C1 | C | 178.3° | 180.0° |
| C3 | N | C2 | C1 | 176.8° | 179.8° |
| N | C3 | C4 | H1 | 22.2° | 175.4° |
| N | C3 | H8 | H9 | 117.9° | 120.2° |
| C3 | N | C2 | H10 | 3.2° | 0.2° |
| N | C3 | C4 | C5 | 74.1° | 55.7° |
| N | C2 | C1 | C8 | 0.7° | 0.1° |
| N | C2 | C1 | H10 | 180.0° | 180.0° |
| N | C2 | C1 | C | 178.9° | 180.0° |
| C2 | N | C3 | H8 | 62.5° | 30.9° |
| C2 | N | C3 | H9 | 56.2° | 89.2° |
| C8 | C1 | C2 | C | 179.5° | 180.0° |
| C1 | C8 | C7 | H5 | 180.0° | 180.0° |
| C8 | C1 | C2 | H10 | 179.4° | 180.0° |
| C8 | C1 | C | H11 | 180.0° | 0.0° |
| C8 | C1 | C | H12 | 60.0° | 120.0° |
| C8 | C1 | C | H13 | 60.0° | 120.0° |
| C2 | C1 | C8 | H6 | 178.8° | 179.9° |
| C2 | C1 | C | H11 | 0.5° | 179.9° |
| C2 | C1 | C | H12 | 120.5° | 60.0° |
| C2 | C1 | C | H13 | 119.5° | 60.0° |
| C | C1 | C8 | H6 | 1.7° | 0.1° |
| C | C1 | C2 | H10 | 1.1° | 0.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| H1 | C4 | O | H7 | 13.1° | 59.5° |
| H1 | C4 | C3 | H8 | 142.8° | 64.8° |
| H1 | C4 | C3 | H9 | 98.5° | 55.4° |
| H1 | C4 | C5 | N1 | 33.9° | 175.3° |
| H1 | C4 | C5 | H2 | 90.0° | 55.4° |
| H1 | C4 | C5 | H3 | 90.0° | 64.7° |
| H5 | C7 | C8 | H6 | 0.0° | 0.1° |
| H7 | O | C4 | C5 | 94.6° | 61.1° |
| H8 | C3 | C4 | C5 | 46.6° | 175.5° |
| H9 | C3 | C4 | C5 | 165.3° | 64.3° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
| N1 | C5 | C4 | H2 | 90.0° | 119.9° |
| N1 | C5 | C4 | H3 | 90.0° | 120.0° |
| N1 | C5 | H2 | H3 | 90.0° | 120.1° |
| C4 | C5 | H2 | H3 | 90.0° | 120.1° |
