8VN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| C1 | C5 | sing | 1.53Å | 1.54Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| C5 | O1 | sing | 1.44Å | 1.43Å | |
| C5 | C4 | sing | 1.56Å | 1.52Å | |
| O5 | C7 | doub | 1.21Å | 1.25Å | |
| O1 | N2 | sing | 1.41Å | 1.42Å | |
| C2 | C7 | sing | 1.51Å | 1.55Å | |
| C2 | C4 | sing | 1.54Å | 1.56Å | |
| N2 | C3 | doub | 1.29Å | 1.27Å | |
| C7 | O4 | sing | 1.34Å | 1.25Å | |
| C4 | C3 | sing | 1.52Å | 1.51Å | |
| C3 | C6 | sing | 1.48Å | 1.53Å | |
| O2 | C6 | doub | 1.22Å | 1.25Å | |
| C6 | O3 | sing | 1.35Å | 1.25Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| N1 | H8 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C5 | 105.2° | 108.1° |
| C1 | N1 | C2 | 109.6° | 109.2° |
| N1 | C1 | H1 | 110.5° | 109.7° |
| N1 | C1 | H2 | 110.5° | 109.8° |
| C1 | N1 | H8 | 109.4° | 111.0° |
| C1 | C5 | O1 | 109.2° | 109.7° |
| C1 | C5 | C4 | 106.8° | 104.5° |
| C5 | C1 | H1 | 110.5° | 109.7° |
| C5 | C1 | H2 | 110.5° | 109.8° |
| C1 | C5 | H5 | 110.8° | 113.0° |
| N1 | C2 | C7 | 107.1° | 110.0° |
| N1 | C2 | C4 | 107.1° | 106.9° |
| N1 | C2 | H3 | 110.8° | 110.0° |
| C2 | N1 | H8 | 109.4° | 111.0° |
| O1 | C5 | C4 | 106.4° | 101.6° |
| C5 | O1 | N2 | 108.6° | 107.6° |
| O1 | C5 | H5 | 112.4° | 113.1° |
| C5 | C4 | C2 | 104.9° | 103.5° |
| C5 | C4 | C3 | 99.9° | 102.1° |
| C5 | C4 | H4 | 111.4° | 114.5° |
| C4 | C5 | H5 | 111.0° | 114.0° |
| O5 | C7 | C2 | 119.6° | 120.0° |
| O5 | C7 | O4 | 121.3° | 120.0° |
| O1 | N2 | C3 | 110.0° | 112.9° |
| C7 | C2 | C4 | 112.4° | 110.0° |
| C2 | C7 | O4 | 119.0° | 120.0° |
| C7 | C2 | H3 | 109.7° | 110.0° |
| C2 | C4 | C3 | 117.4° | 108.8° |
| C4 | C2 | H3 | 109.6° | 110.0° |
| C2 | C4 | H4 | 110.9° | 113.5° |
| N2 | C3 | C4 | 113.8° | 108.4° |
| N2 | C3 | C6 | 124.6° | 125.8° |
| C7 | O4 | H7 | 109.5° | 117.0° |
| C4 | C3 | C6 | 121.6° | 125.8° |
| C3 | C4 | H4 | 111.6° | 113.5° |
| C3 | C6 | O2 | 117.8° | 120.0° |
| C3 | C6 | O3 | 118.8° | 120.0° |
| O2 | C6 | O3 | 123.4° | 120.0° |
| C6 | O3 | H6 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C5 | H1 | 119.3° | 119.6° |
| N1 | C1 | C5 | H2 | 119.3° | 119.7° |
| C1 | N1 | C2 | H8 | 120.0° | 122.7° |
| N1 | C1 | C5 | O1 | 139.6° | 92.3° |
| N1 | C1 | C5 | C4 | 24.9° | 15.9° |
| C1 | N1 | C2 | C7 | 135.3° | 137.6° |
| C1 | N1 | C2 | C4 | 14.6° | 18.3° |
| N1 | C1 | H1 | H2 | 122.0° | 120.7° |
| C1 | N1 | C2 | H3 | 105.0° | 101.1° |
| N1 | C1 | C5 | H5 | 96.1° | 140.4° |
| C5 | C1 | N1 | C2 | 24.4° | 1.2° |
| C1 | C5 | O1 | C4 | 114.9° | 110.2° |
| C1 | C5 | O1 | H5 | 123.4° | 127.2° |
| C1 | C5 | C4 | H5 | 120.9° | 123.9° |
| C1 | C5 | O1 | N2 | 103.4° | 136.3° |
| C1 | C5 | C4 | C2 | 16.0° | 26.0° |
| C1 | C5 | C4 | C3 | 106.0° | 138.9° |
| C5 | C1 | H1 | H2 | 122.0° | 120.7° |
| C1 | C5 | C4 | H4 | 136.0° | 98.0° |
| C5 | C1 | N1 | H8 | 95.6° | 121.4° |
| N1 | C2 | C4 | C5 | 1.5° | 27.4° |
| N1 | C2 | C7 | O5 | 26.7° | 17.4° |
| N1 | C2 | C7 | C4 | 117.4° | 117.4° |
| N1 | C2 | C7 | H3 | 120.4° | 121.3° |
| N1 | C2 | C4 | H3 | 120.4° | 119.4° |
| N1 | C2 | C7 | O4 | 154.2° | 162.6° |
| N1 | C2 | C4 | C3 | 108.3° | 135.5° |
| C2 | N1 | C1 | H1 | 94.9° | 120.9° |
| C2 | N1 | C1 | H2 | 143.8° | 118.5° |
| N1 | C2 | C4 | H4 | 121.8° | 97.2° |
| O1 | C5 | C4 | H5 | 122.6° | 122.0° |
| O1 | C5 | C4 | C2 | 132.5° | 88.1° |
| C5 | O1 | N2 | C3 | 7.6° | 18.0° |
| O1 | C5 | C4 | C3 | 10.5° | 24.8° |
| O1 | C5 | C1 | H1 | 20.3° | 148.0° |
| O1 | C5 | C1 | H2 | 101.1° | 27.4° |
| O1 | C5 | C4 | H4 | 107.5° | 147.9° |
| C4 | C5 | O1 | N2 | 11.5° | 26.1° |
| C5 | C4 | C2 | C7 | 115.8° | 146.7° |
| C5 | C4 | C2 | C3 | 109.8° | 108.0° |
| C5 | C4 | C2 | H4 | 120.3° | 124.6° |
| C5 | C4 | C3 | N2 | 6.6° | 15.8° |
| C5 | C4 | C3 | H4 | 117.8° | 123.7° |
| C5 | C4 | C3 | C6 | 173.4° | 164.2° |
| C4 | C5 | C1 | H1 | 94.4° | 103.7° |
| C4 | C5 | C1 | H2 | 144.2° | 135.7° |
| C5 | C4 | C2 | H3 | 121.8° | 92.0° |
| O5 | C7 | C2 | O4 | 179.2° | 179.9° |
| O5 | C7 | C2 | C4 | 144.1° | 100.0° |
| O5 | C7 | C2 | H3 | 93.7° | 138.7° |
| O5 | C7 | O4 | H7 | 0.0° | 0.0° |
| O1 | N2 | C3 | C4 | 0.2° | 0.3° |
| O1 | N2 | C3 | C6 | 179.9° | 179.7° |
| N2 | O1 | C5 | H5 | 133.2° | 96.5° |
| C7 | C2 | C4 | H3 | 122.3° | 121.3° |
| C7 | C2 | C4 | C3 | 134.4° | 105.2° |
| C7 | C2 | C4 | H4 | 4.5° | 22.1° |
| C2 | C7 | O4 | H7 | 179.1° | 180.0° |
| C7 | C2 | N1 | H8 | 15.2° | 14.9° |
| C2 | C4 | C3 | N2 | 119.2° | 93.2° |
| C4 | C2 | C7 | O4 | 36.8° | 80.0° |
| C2 | C4 | C3 | H4 | 129.5° | 127.3° |
| C2 | C4 | C3 | C6 | 60.7° | 86.8° |
| C2 | C4 | C5 | H5 | 104.9° | 149.9° |
| C4 | C2 | N1 | H8 | 105.5° | 104.4° |
| N2 | C3 | C4 | C6 | 180.0° | 180.0° |
| N2 | C3 | C6 | O2 | 19.2° | 179.9° |
| N2 | C3 | C6 | O3 | 160.7° | 0.0° |
| N2 | C3 | C4 | H4 | 111.2° | 139.5° |
| O4 | C7 | C2 | H3 | 85.5° | 41.3° |
| C4 | C3 | C6 | O2 | 160.7° | 0.0° |
| C4 | C3 | C6 | O3 | 19.4° | 180.0° |
| C3 | C4 | C2 | H3 | 12.1° | 16.1° |
| C3 | C4 | C5 | H5 | 133.1° | 97.2° |
| C3 | C6 | O2 | O3 | 179.9° | 180.0° |
| C6 | C3 | C4 | H4 | 68.8° | 40.5° |
| C3 | C6 | O3 | H6 | 179.9° | 180.0° |
| O2 | C6 | O3 | H6 | 0.0° | 0.0° |
| H1 | C1 | C5 | H5 | 144.6° | 20.8° |
| H1 | C1 | N1 | H8 | 145.1° | 1.8° |
| H2 | C1 | C5 | H5 | 23.2° | 99.8° |
| H2 | C1 | N1 | H8 | 23.7° | 118.8° |
| H3 | C2 | C4 | H4 | 117.8° | 143.4° |
| H3 | C2 | N1 | H8 | 134.9° | 136.2° |
| H4 | C4 | C5 | H5 | 15.1° | 25.9° |
