V8W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C3 | sing | 1.49Å | 1.47Å | |
| N7 | C6 | sing | 1.49Å | 1.46Å | |
| C3 | C1 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C1 | N2 | sing | 1.47Å | 1.27Å | |
| C1 | OXT | sing | 1.43Å | 1.39Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| N2 | H21N | sing | 1.01Å | 1.00Å | |
| N2 | H22N | sing | 1.01Å | 1.00Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| N7 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N7 | C6 | 114.6° | 104.2° |
| N7 | C3 | C1 | 118.2° | 110.4° |
| N7 | C3 | C4 | 99.6° | 104.6° |
| N7 | C3 | H3 | 111.1° | 110.4° |
| C3 | N7 | H2 | 108.2° | 111.0° |
| N7 | C6 | C5 | 103.5° | 104.6° |
| N7 | C6 | H61C | 110.9° | 110.4° |
| N7 | C6 | H62C | 111.0° | 110.4° |
| C6 | N7 | H2 | 108.2° | 111.0° |
| C1 | C3 | C4 | 106.7° | 110.4° |
| C3 | C1 | N2 | 115.5° | 109.5° |
| C3 | C1 | OXT | 115.9° | 109.5° |
| C1 | C3 | H3 | 110.2° | 110.4° |
| C3 | C1 | H1C | 102.2° | 109.4° |
| C3 | C4 | C5 | 106.0° | 105.1° |
| C4 | C3 | H3 | 110.3° | 110.5° |
| C3 | C4 | H41C | 110.3° | 110.3° |
| C3 | C4 | H42C | 110.3° | 110.3° |
| N2 | C1 | OXT | 112.8° | 109.5° |
| C1 | N2 | H21N | 109.5° | 110.9° |
| C1 | N2 | H22N | 109.5° | 111.0° |
| N2 | C1 | H1C | 104.9° | 109.5° |
| C1 | OXT | HOXT | 109.5° | 113.9° |
| OXT | C1 | H1C | 103.5° | 109.5° |
| C4 | C5 | C6 | 104.3° | 105.1° |
| C5 | C4 | H41C | 110.3° | 110.3° |
| C5 | C4 | H42C | 110.4° | 110.3° |
| C4 | C5 | H51C | 110.7° | 110.4° |
| C4 | C5 | H52C | 110.8° | 110.3° |
| C5 | C6 | H61C | 110.9° | 110.4° |
| C5 | C6 | H62C | 110.9° | 110.5° |
| C6 | C5 | H51C | 110.8° | 110.3° |
| C6 | C5 | H52C | 110.8° | 110.3° |
| H61C | C6 | H62C | 109.5° | 110.4° |
| H41C | C4 | H42C | 109.5° | 110.4° |
| H21N | N2 | H22N | 109.5° | 111.0° |
| H51C | C5 | H52C | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N7 | C6 | H2 | 120.7° | 119.5° |
| N7 | C3 | C1 | C4 | 111.1° | 115.2° |
| N7 | C3 | C1 | H3 | 129.2° | 122.4° |
| N7 | C3 | C4 | H3 | 116.9° | 118.8° |
| N7 | C3 | C1 | N2 | 35.0° | 66.5° |
| N7 | C3 | C1 | OXT | 170.1° | 53.5° |
| N7 | C3 | C4 | C5 | 32.4° | 23.8° |
| C3 | N7 | C6 | C5 | 0.0° | 39.5° |
| C3 | N7 | C6 | H61C | 119.1° | 79.3° |
| C3 | N7 | C6 | H62C | 119.0° | 158.3° |
| N7 | C3 | C4 | H41C | 151.9° | 95.1° |
| N7 | C3 | C4 | H42C | 87.1° | 142.8° |
| N7 | C3 | C1 | H1C | 78.2° | 173.5° |
| C6 | N7 | C3 | C1 | 94.8° | 158.2° |
| C6 | N7 | C3 | C4 | 20.2° | 39.5° |
| N7 | C6 | C5 | C4 | 20.7° | 23.9° |
| N7 | C6 | C5 | H61C | 119.0° | 118.7° |
| N7 | C6 | C5 | H62C | 119.1° | 118.8° |
| C6 | N7 | C3 | H3 | 136.4° | 79.4° |
| N7 | C6 | H61C | H62C | 122.8° | 122.3° |
| N7 | C6 | C5 | H51C | 98.4° | 95.1° |
| N7 | C6 | C5 | H52C | 139.9° | 142.8° |
| C1 | C3 | C4 | H3 | 119.6° | 122.4° |
| C3 | C1 | N2 | OXT | 136.5° | 120.0° |
| C3 | C1 | N2 | H1C | 111.6° | 119.9° |
| C3 | C1 | OXT | H1C | 111.0° | 119.9° |
| C1 | C3 | C4 | C5 | 91.1° | 142.6° |
| C1 | C3 | C4 | H41C | 28.4° | 23.7° |
| C1 | C3 | C4 | H42C | 149.4° | 98.5° |
| C3 | C1 | N2 | H21N | 180.0° | 60.1° |
| C3 | C1 | N2 | H22N | 60.0° | 63.9° |
| C3 | C1 | OXT | HOXT | 180.0° | 179.9° |
| C1 | C3 | N7 | H2 | 144.5° | 82.2° |
| C4 | C3 | C1 | N2 | 76.1° | 178.3° |
| C4 | C3 | C1 | OXT | 59.0° | 61.6° |
| C3 | C4 | C5 | H41C | 119.4° | 118.9° |
| C3 | C4 | C5 | H42C | 119.4° | 118.9° |
| C3 | C4 | C5 | C6 | 34.1° | 0.0° |
| C3 | C4 | H41C | H42C | 121.6° | 122.2° |
| C3 | C4 | C5 | H51C | 85.1° | 118.9° |
| C3 | C4 | C5 | H52C | 153.3° | 118.9° |
| C4 | C3 | C1 | H1C | 170.7° | 58.3° |
| C4 | C3 | N7 | H2 | 100.6° | 159.0° |
| N2 | C1 | OXT | H1C | 112.8° | 120.1° |
| N2 | C1 | C3 | H3 | 164.2° | 55.8° |
| C1 | N2 | H21N | H22N | 120.0° | 124.0° |
| N2 | C1 | OXT | HOXT | 43.7° | 60.0° |
| OXT | C1 | C3 | H3 | 60.7° | 175.9° |
| OXT | C1 | N2 | H21N | 43.5° | 59.9° |
| OXT | C1 | N2 | H22N | 76.5° | 176.1° |
| C4 | C5 | C6 | H51C | 119.2° | 119.0° |
| C4 | C5 | C6 | H52C | 119.2° | 118.9° |
| C5 | C4 | C3 | H3 | 149.3° | 95.0° |
| C4 | C5 | C6 | H61C | 98.3° | 94.9° |
| C4 | C5 | C6 | H62C | 139.8° | 142.7° |
| C5 | C4 | H41C | H42C | 121.6° | 122.2° |
| C4 | C5 | H51C | H52C | 122.4° | 122.2° |
| C5 | C6 | H61C | H62C | 122.7° | 122.5° |
| C6 | C5 | C4 | H41C | 153.6° | 118.9° |
| C6 | C5 | C4 | H42C | 85.3° | 118.9° |
| C6 | C5 | H51C | H52C | 122.4° | 122.1° |
| C5 | C6 | N7 | H2 | 120.7° | 159.0° |
| H3 | C3 | C4 | H41C | 91.3° | 146.1° |
| H3 | C3 | C4 | H42C | 29.8° | 23.9° |
| H3 | C3 | C1 | H1C | 51.0° | 64.1° |
| H3 | C3 | N7 | H2 | 15.7° | 40.2° |
| H61C | C6 | C5 | H51C | 142.5° | 146.2° |
| H61C | C6 | C5 | H52C | 20.9° | 24.0° |
| H61C | C6 | N7 | H2 | 1.7° | 40.2° |
| H62C | C6 | C5 | H51C | 20.6° | 23.7° |
| H62C | C6 | C5 | H52C | 101.0° | 98.4° |
| H62C | C6 | N7 | H2 | 120.2° | 82.1° |
| H41C | C4 | C5 | H51C | 34.4° | 0.0° |
| H41C | C4 | C5 | H52C | 87.3° | 122.2° |
| H42C | C4 | C5 | H51C | 155.5° | 122.2° |
| H42C | C4 | C5 | H52C | 33.9° | 0.0° |
| H21N | N2 | C1 | H1C | 68.4° | 180.0° |
| H22N | N2 | C1 | H1C | 171.6° | 56.1° |
| HOXT | OXT | C1 | H1C | 69.0° | 60.0° |
