4FV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C6 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.55Å | 1.52Å | |
| C5 | C4 | sing | 1.54Å | 1.53Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C4 | C3 | sing | 1.54Å | 1.51Å | |
| C7 | C3 | sing | 1.54Å | 1.53Å | |
| C3 | N3 | sing | 1.46Å | 1.47Å | |
| N3 | C2 | sing | 1.35Å | 1.38Å | |
| N2 | C1 | doub | 1.31Å | 1.34Å | Aromatic |
| N2 | O | sing | 1.21Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.47Å | |
| C2 | O1 | doub | 1.22Å | 1.22Å | |
| C1 | C | sing | 1.48Å | 1.46Å | Aromatic |
| O | N1 | sing | 1.21Å | 1.36Å | Aromatic |
| C | N1 | doub | 1.31Å | 1.37Å | Aromatic |
| C | N | sing | 1.39Å | 1.36Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C6 | C5 | 109.5° | 110.7° |
| O2 | C6 | C7 | 109.4° | 110.8° |
| O2 | C6 | H1 | 111.3° | 110.8° |
| C6 | O2 | H9 | 109.5° | 114.0° |
| C6 | C5 | C4 | 107.1° | 104.2° |
| C5 | C6 | C7 | 106.4° | 102.8° |
| C6 | C5 | H8 | 110.1° | 110.5° |
| C6 | C5 | H7 | 110.0° | 110.5° |
| C5 | C6 | H1 | 110.1° | 110.7° |
| C5 | C4 | C3 | 104.2° | 106.6° |
| C5 | C4 | H6 | 110.7° | 110.1° |
| C5 | C4 | H5 | 110.8° | 110.1° |
| C4 | C5 | H8 | 110.1° | 110.5° |
| C4 | C5 | H7 | 110.1° | 110.5° |
| C6 | C7 | C3 | 105.8° | 104.2° |
| C6 | C7 | H11 | 110.4° | 110.5° |
| C6 | C7 | H10 | 110.4° | 110.6° |
| C7 | C6 | H1 | 110.0° | 110.8° |
| C4 | C3 | C7 | 104.8° | 106.6° |
| C4 | C3 | N3 | 112.2° | 110.1° |
| C3 | C4 | H6 | 110.8° | 110.0° |
| C3 | C4 | H5 | 110.8° | 110.0° |
| C4 | C3 | H | 110.0° | 110.1° |
| C7 | C3 | N3 | 109.4° | 110.0° |
| C3 | C7 | H11 | 110.4° | 110.5° |
| C3 | C7 | H10 | 110.4° | 110.5° |
| C7 | C3 | H | 109.7° | 110.0° |
| C3 | N3 | C2 | 119.8° | 120.0° |
| N3 | C3 | H | 110.6° | 110.1° |
| C3 | N3 | H4 | 120.1° | 120.0° |
| N3 | C2 | C1 | 115.2° | 120.0° |
| N3 | C2 | O1 | 123.5° | 120.0° |
| C2 | N3 | H4 | 120.1° | 120.0° |
| C1 | N2 | O | 107.2° | 109.4° |
| N2 | C1 | C2 | 126.8° | 128.7° |
| N2 | C1 | C | 107.4° | 102.6° |
| N2 | O | N1 | 113.2° | 116.1° |
| C1 | C2 | O1 | 121.3° | 120.0° |
| C2 | C1 | C | 125.8° | 128.7° |
| C1 | C | N1 | 106.5° | 102.5° |
| C1 | C | N | 125.4° | 128.8° |
| O | N1 | C | 105.6° | 109.5° |
| N1 | C | N | 128.0° | 128.7° |
| C | N | H3 | 109.5° | 120.1° |
| C | N | H2 | 109.4° | 120.0° |
| H6 | C4 | H5 | 109.4° | 110.0° |
| H8 | C5 | H7 | 109.5° | 110.6° |
| H11 | C7 | H10 | 109.5° | 110.4° |
| H3 | N | H2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C6 | C5 | C7 | 118.2° | 118.3° |
| O2 | C6 | C5 | H1 | 122.7° | 123.3° |
| O2 | C6 | C5 | C4 | 111.2° | 156.3° |
| O2 | C6 | C7 | H1 | 122.6° | 123.4° |
| O2 | C6 | C7 | C3 | 132.4° | 156.3° |
| O2 | C6 | C5 | H8 | 129.2° | 37.6° |
| O2 | C6 | C5 | H7 | 8.4° | 85.0° |
| O2 | C6 | C7 | H11 | 13.0° | 85.1° |
| O2 | C6 | C7 | H10 | 108.1° | 37.5° |
| C6 | C5 | C4 | H8 | 119.6° | 118.7° |
| C6 | C5 | C4 | H7 | 119.6° | 118.7° |
| C5 | C6 | C7 | H1 | 119.2° | 118.3° |
| C6 | C5 | C4 | C3 | 25.8° | 23.6° |
| C5 | C6 | C7 | C3 | 14.2° | 38.0° |
| C6 | C5 | C4 | H6 | 145.0° | 95.7° |
| C6 | C5 | C4 | H5 | 93.4° | 142.9° |
| C6 | C5 | H8 | H7 | 121.1° | 122.6° |
| C5 | C6 | C7 | H11 | 105.2° | 156.6° |
| C5 | C6 | C7 | H10 | 133.7° | 80.8° |
| C5 | C6 | O2 | H9 | 180.0° | 61.4° |
| C4 | C5 | C6 | C7 | 7.0° | 38.0° |
| C5 | C4 | C3 | H6 | 119.2° | 119.3° |
| C5 | C4 | C3 | H5 | 119.2° | 119.3° |
| C5 | C4 | C3 | C7 | 34.4° | 0.0° |
| C5 | C4 | C3 | N3 | 152.9° | 119.3° |
| C5 | C4 | H6 | H5 | 122.4° | 121.5° |
| C4 | C5 | H8 | H7 | 121.1° | 122.6° |
| C5 | C4 | C3 | H | 83.5° | 119.3° |
| C4 | C5 | C6 | H1 | 126.1° | 80.4° |
| C6 | C7 | C3 | C4 | 30.4° | 23.6° |
| C6 | C7 | C3 | H11 | 119.4° | 118.6° |
| C6 | C7 | C3 | H10 | 119.4° | 118.8° |
| C6 | C7 | C3 | N3 | 150.9° | 142.9° |
| C7 | C6 | C5 | H8 | 112.7° | 80.7° |
| C7 | C6 | C5 | H7 | 126.6° | 156.6° |
| C6 | C7 | H11 | H10 | 121.7° | 122.7° |
| C6 | C7 | C3 | H | 87.7° | 95.7° |
| C7 | C6 | O2 | H9 | 63.7° | 174.7° |
| C4 | C3 | C7 | N3 | 120.5° | 119.3° |
| C4 | C3 | C7 | H | 118.1° | 119.3° |
| C4 | C3 | N3 | H | 123.3° | 121.5° |
| C4 | C3 | N3 | C2 | 105.0° | 86.4° |
| C3 | C4 | H6 | H5 | 122.4° | 121.3° |
| C3 | C4 | C5 | H8 | 93.9° | 95.1° |
| C3 | C4 | C5 | H7 | 145.4° | 142.3° |
| C4 | C3 | C7 | H11 | 89.0° | 142.3° |
| C4 | C3 | C7 | H10 | 149.9° | 95.2° |
| C4 | C3 | N3 | H4 | 75.0° | 93.5° |
| C7 | C3 | N3 | H | 120.9° | 121.4° |
| C7 | C3 | N3 | C2 | 139.2° | 156.4° |
| C7 | C3 | C4 | H6 | 153.5° | 119.3° |
| C7 | C3 | C4 | H5 | 84.8° | 119.3° |
| C3 | C7 | H11 | H10 | 121.7° | 122.6° |
| C3 | C7 | C6 | H1 | 105.0° | 80.4° |
| C7 | C3 | N3 | H4 | 40.8° | 23.6° |
| C3 | N3 | C2 | H4 | 180.0° | 179.9° |
| C3 | N3 | C2 | C1 | 179.9° | 180.0° |
| C3 | N3 | C2 | O1 | 0.1° | 0.1° |
| N3 | C3 | C4 | H6 | 87.9° | 121.4° |
| N3 | C3 | C4 | H5 | 33.7° | 0.1° |
| N3 | C3 | C7 | H11 | 31.4° | 98.4° |
| N3 | C3 | C7 | H10 | 89.7° | 24.1° |
| N3 | C2 | C1 | N2 | 16.6° | 0.2° |
| N3 | C2 | C1 | O1 | 180.0° | 179.9° |
| N3 | C2 | C1 | C | 164.5° | 180.0° |
| C2 | N3 | C3 | H | 18.3° | 35.1° |
| N2 | C1 | C2 | C | 178.8° | 179.8° |
| N2 | C1 | C2 | O1 | 163.4° | 179.7° |
| C1 | N2 | O | N1 | 0.1° | 0.2° |
| N2 | C1 | C | N1 | 0.2° | 0.2° |
| N2 | C1 | C | N | 180.0° | 179.7° |
| O | N2 | C1 | C2 | 178.8° | 179.8° |
| O | N2 | C1 | C | 0.2° | 0.0° |
| N2 | O | N1 | C | 0.0° | 0.4° |
| C2 | C1 | C | N1 | 178.9° | 180.0° |
| C2 | C1 | C | N | 1.0° | 0.1° |
| C1 | C2 | N3 | H4 | 0.1° | 0.1° |
| O1 | C2 | C1 | C | 15.4° | 0.1° |
| O1 | C2 | N3 | H4 | 179.9° | 180.0° |
| C1 | C | N1 | O | 0.1° | 0.3° |
| C1 | C | N1 | N | 179.8° | 179.9° |
| C1 | C | N | H3 | 179.8° | 0.1° |
| C1 | C | N | H2 | 59.8° | 180.0° |
| O | N1 | C | N | 179.9° | 179.6° |
| N1 | C | N | H3 | 0.0° | 180.0° |
| N1 | C | N | H2 | 120.0° | 0.1° |
| C | N | H3 | H2 | 120.0° | 179.9° |
| H6 | C4 | C5 | H8 | 25.3° | 145.7° |
| H6 | C4 | C5 | H7 | 95.4° | 23.0° |
| H6 | C4 | C3 | H | 35.7° | 0.1° |
| H5 | C4 | C5 | H8 | 147.0° | 24.2° |
| H5 | C4 | C5 | H7 | 26.2° | 98.5° |
| H5 | C4 | C3 | H | 157.3° | 121.4° |
| H8 | C5 | C6 | H1 | 6.5° | 160.9° |
| H7 | C5 | C6 | H1 | 114.3° | 38.3° |
| H11 | C7 | C3 | H | 152.9° | 23.0° |
| H11 | C7 | C6 | H1 | 135.6° | 38.3° |
| H10 | C7 | C3 | H | 31.8° | 145.5° |
| H10 | C7 | C6 | H1 | 14.5° | 160.9° |
| H | C3 | N3 | H4 | 161.7° | 145.0° |
| H1 | C6 | O2 | H9 | 58.1° | 61.9° |
