AN4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | doub | 1.28Å | 1.26Å | |
| N1 | C5 | sing | 1.46Å | 1.46Å | |
| C1 | C2 | sing | 1.50Å | 1.50Å | |
| C1 | C70 | sing | 1.48Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| N2 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C70 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C70 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C5 | 126.5° | 125.0° |
| N1 | C1 | C2 | 116.5° | 124.3° |
| N1 | C1 | C70 | 123.2° | 117.9° |
| N1 | C5 | C4 | 102.2° | 110.5° |
| N1 | C5 | H51C | 112.0° | 109.3° |
| N1 | C5 | H52C | 113.5° | 109.3° |
| C2 | C1 | C70 | 120.3° | 117.8° |
| C1 | C2 | C3 | 115.2° | 109.9° |
| C1 | C2 | H21C | 107.6° | 109.4° |
| C1 | C2 | H22C | 106.3° | 109.3° |
| C1 | C70 | C7 | 120.7° | 120.5° |
| C1 | C70 | C10 | 120.7° | 120.6° |
| C2 | C3 | C4 | 114.6° | 108.2° |
| C3 | C2 | H21C | 107.6° | 109.4° |
| C3 | C2 | H22C | 106.3° | 109.4° |
| C2 | C3 | H31C | 107.8° | 109.7° |
| C2 | C3 | H32C | 106.6° | 109.7° |
| C3 | C4 | C5 | 106.0° | 108.4° |
| C4 | C3 | H31C | 107.8° | 109.7° |
| C4 | C3 | H32C | 106.7° | 109.7° |
| C3 | C4 | H41C | 110.7° | 109.7° |
| C3 | C4 | H42C | 111.4° | 109.7° |
| C4 | C5 | H51C | 112.0° | 109.3° |
| C4 | C5 | H52C | 113.5° | 109.2° |
| C5 | C4 | H41C | 110.6° | 109.7° |
| C5 | C4 | H42C | 111.4° | 109.6° |
| C9 | N2 | C10 | 121.7° | 121.8° |
| N2 | C9 | C8 | 119.5° | 121.1° |
| N2 | C9 | H9 | 120.2° | 119.5° |
| N2 | C10 | C70 | 120.9° | 120.6° |
| N2 | C10 | H10 | 119.5° | 119.7° |
| C8 | C7 | C70 | 119.7° | 118.3° |
| C7 | C8 | C9 | 119.6° | 119.3° |
| C8 | C7 | H7 | 120.2° | 120.9° |
| C7 | C8 | H8 | 120.2° | 120.3° |
| C7 | C70 | C10 | 118.6° | 118.9° |
| C70 | C7 | H7 | 120.2° | 120.9° |
| C8 | C9 | H9 | 120.2° | 119.4° |
| C9 | C8 | H8 | 120.2° | 120.4° |
| C70 | C10 | H10 | 119.6° | 119.7° |
| H51C | C5 | H52C | 104.0° | 109.3° |
| H21C | C2 | H22C | 114.1° | 109.4° |
| H31C | C3 | H32C | 113.5° | 109.7° |
| H41C | C4 | H42C | 106.8° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | C70 | 179.3° | 179.9° |
| N1 | C1 | C2 | C3 | 17.1° | 16.3° |
| C1 | N1 | C5 | C4 | 54.3° | 17.7° |
| N1 | C1 | C70 | C7 | 150.7° | 0.0° |
| N1 | C1 | C70 | C10 | 30.2° | 179.9° |
| C1 | N1 | C5 | H51C | 65.7° | 102.5° |
| C1 | N1 | C5 | H52C | 176.9° | 137.9° |
| N1 | C1 | C2 | H21C | 137.1° | 136.4° |
| N1 | C1 | C2 | H22C | 100.3° | 103.8° |
| C5 | N1 | C1 | C2 | 10.2° | 0.5° |
| C5 | N1 | C1 | C70 | 170.6° | 179.4° |
| N1 | C5 | C4 | C3 | 67.4° | 49.6° |
| N1 | C5 | C4 | H51C | 120.0° | 120.3° |
| N1 | C5 | C4 | H52C | 122.6° | 120.3° |
| N1 | C5 | H51C | H52C | 123.0° | 119.6° |
| N1 | C5 | C4 | H41C | 52.6° | 169.4° |
| N1 | C5 | C4 | H42C | 171.3° | 70.1° |
| C1 | C2 | C3 | H21C | 120.0° | 120.2° |
| C1 | C2 | C3 | H22C | 117.4° | 120.0° |
| C1 | C2 | C3 | C4 | 4.1° | 47.9° |
| C2 | C1 | C70 | C7 | 30.0° | 180.0° |
| C2 | C1 | C70 | C10 | 149.0° | 0.0° |
| C1 | C2 | H21C | H22C | 117.7° | 119.7° |
| C1 | C2 | C3 | H31C | 124.1° | 71.8° |
| C1 | C2 | C3 | H32C | 113.7° | 167.6° |
| C70 | C1 | C2 | C3 | 162.2° | 163.7° |
| C1 | C70 | C10 | N2 | 179.7° | 180.0° |
| C1 | C70 | C7 | C8 | 179.5° | 180.0° |
| C1 | C70 | C7 | C10 | 179.1° | 180.0° |
| C70 | C1 | C2 | H21C | 42.2° | 43.5° |
| C70 | C1 | C2 | H22C | 80.4° | 76.3° |
| C1 | C70 | C10 | H10 | 0.3° | 0.0° |
| C1 | C70 | C7 | H7 | 0.5° | 0.0° |
| C2 | C3 | C4 | H31C | 120.0° | 119.7° |
| C2 | C3 | C4 | H32C | 117.7° | 119.7° |
| C2 | C3 | C4 | C5 | 47.1° | 66.1° |
| C3 | C2 | H21C | H22C | 117.6° | 119.8° |
| C2 | C3 | H31C | H32C | 117.9° | 120.6° |
| C2 | C3 | C4 | H41C | 72.9° | 174.1° |
| C2 | C3 | C4 | H42C | 168.4° | 53.6° |
| C3 | C4 | C5 | H41C | 120.0° | 119.8° |
| C3 | C4 | C5 | H42C | 121.3° | 119.7° |
| C3 | C4 | C5 | H51C | 52.6° | 70.7° |
| C3 | C4 | C5 | H52C | 169.9° | 169.9° |
| C4 | C3 | C2 | H21C | 115.9° | 168.0° |
| C4 | C3 | C2 | H22C | 121.5° | 72.1° |
| C4 | C3 | H31C | H32C | 117.9° | 120.6° |
| C3 | C4 | H41C | H42C | 121.4° | 120.5° |
| C4 | C5 | H51C | H52C | 122.9° | 119.4° |
| C5 | C4 | C3 | H31C | 167.1° | 53.6° |
| C5 | C4 | C3 | H32C | 70.7° | 174.2° |
| C5 | C4 | H41C | H42C | 121.4° | 120.5° |
| N2 | C9 | C8 | C7 | 0.3° | 0.0° |
| N2 | C9 | C8 | H9 | 180.0° | 180.0° |
| C9 | N2 | C10 | C70 | 0.3° | 0.0° |
| C9 | N2 | C10 | H10 | 179.6° | 180.0° |
| N2 | C9 | C8 | H8 | 179.7° | 180.0° |
| N2 | C10 | C70 | C7 | 0.6° | 0.0° |
| C10 | N2 | C9 | C8 | 0.1° | 0.0° |
| N2 | C10 | C70 | H10 | 180.0° | 180.0° |
| C10 | N2 | C9 | H9 | 179.9° | 180.0° |
| C8 | C7 | C70 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C8 | C7 | C70 | C10 | 0.4° | 0.0° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C70 | C7 | C8 | C9 | 0.0° | 0.0° |
| C7 | C70 | C10 | H10 | 179.4° | 180.0° |
| C70 | C7 | C8 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | H7 | 180.0° | 180.0° |
| C10 | C70 | C7 | H7 | 179.6° | 180.0° |
| H51C | C5 | C4 | H41C | 172.6° | 49.1° |
| H51C | C5 | C4 | H42C | 68.7° | 169.6° |
| H52C | C5 | C4 | H41C | 70.0° | 70.3° |
| H52C | C5 | C4 | H42C | 48.6° | 50.2° |
| H21C | C2 | C3 | H31C | 4.1° | 48.3° |
| H21C | C2 | C3 | H32C | 126.3° | 72.3° |
| H22C | C2 | C3 | H31C | 118.5° | 168.2° |
| H22C | C2 | C3 | H32C | 3.7° | 47.6° |
| H31C | C3 | C4 | H41C | 47.1° | 66.2° |
| H31C | C3 | C4 | H42C | 71.6° | 173.3° |
| H32C | C3 | C4 | H41C | 169.3° | 54.4° |
| H32C | C3 | C4 | H42C | 50.7° | 66.1° |
| H9 | C9 | C8 | H8 | 0.3° | 0.0° |
| H7 | C7 | C8 | H8 | 0.0° | 0.0° |
