AP4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C10 | sing | 1.34Å | 1.40Å | Aromatic |
| C2 | N2 | sing | 1.37Å | 1.30Å | |
| C2 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.35Å | 1.42Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| C4 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| N5 | C6 | sing | 1.48Å | 1.52Å | |
| N5 | C9 | sing | 1.41Å | 1.41Å | |
| N5 | C13 | sing | 1.33Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.41Å | |
| C6 | C11 | sing | 1.54Å | 1.55Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C7 | N8 | sing | 1.45Å | 1.42Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| N8 | C10 | sing | 1.38Å | 1.40Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | O12 | sing | 1.46Å | 1.41Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| O12 | C13 | sing | 1.34Å | 1.43Å | |
| C13 | O14 | doub | 1.22Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C10 | 120.6° | 121.0° |
| N1 | C2 | N2 | 122.1° | 119.0° |
| N1 | C2 | N3 | 120.3° | 121.9° |
| N1 | C10 | N8 | 118.8° | 120.9° |
| N1 | C10 | C9 | 120.9° | 119.1° |
| N2 | C2 | N3 | 117.6° | 119.1° |
| C2 | N2 | HN21 | 122.1° | 120.0° |
| C2 | N2 | HN22 | 107.7° | 120.0° |
| C2 | N3 | C4 | 121.7° | 120.0° |
| C2 | N3 | HN3 | 117.4° | 120.0° |
| HN21 | N2 | HN22 | 107.7° | 120.0° |
| C4 | N3 | HN3 | 120.9° | 120.0° |
| N3 | C4 | O4 | 121.0° | 120.9° |
| N3 | C4 | C9 | 118.2° | 118.3° |
| O4 | C4 | C9 | 120.8° | 120.8° |
| C4 | C9 | N5 | 122.9° | 122.7° |
| C4 | C9 | C10 | 118.2° | 119.6° |
| C6 | N5 | C9 | 119.6° | 121.1° |
| C6 | N5 | C13 | 105.5° | 108.4° |
| N5 | C6 | C7 | 112.1° | 106.4° |
| N5 | C6 | C11 | 100.6° | 103.0° |
| N5 | C6 | H6 | 117.5° | 111.8° |
| C9 | N5 | C13 | 116.5° | 130.5° |
| N5 | C9 | C10 | 118.9° | 117.7° |
| N5 | C13 | O12 | 107.8° | 113.3° |
| N5 | C13 | O14 | 132.7° | 123.4° |
| C7 | C6 | C11 | 119.1° | 112.1° |
| C7 | C6 | H6 | 98.4° | 111.5° |
| C6 | C7 | N8 | 120.1° | 109.3° |
| C6 | C7 | H71 | 108.4° | 109.7° |
| C6 | C7 | H72 | 108.4° | 109.7° |
| C11 | C6 | H6 | 110.2° | 111.7° |
| C6 | C11 | O12 | 109.3° | 103.8° |
| C6 | C11 | H111 | 112.3° | 110.5° |
| C6 | C11 | H112 | 112.3° | 110.6° |
| N8 | C7 | H71 | 108.5° | 110.0° |
| N8 | C7 | H72 | 108.4° | 108.3° |
| C7 | N8 | C10 | 120.7° | 121.0° |
| C7 | N8 | HN8 | 108.2° | 119.6° |
| H71 | C7 | H72 | 101.5° | 109.7° |
| C10 | N8 | HN8 | 108.2° | 119.4° |
| N8 | C10 | C9 | 120.3° | 120.0° |
| O12 | C11 | H111 | 112.3° | 110.6° |
| O12 | C11 | H112 | 112.3° | 110.5° |
| C11 | O12 | C13 | 109.2° | 109.4° |
| H111 | C11 | H112 | 98.1° | 110.6° |
| O12 | C13 | O14 | 119.4° | 123.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N2 | N3 | 179.2° | 179.7° |
| N1 | C2 | N2 | HN21 | 180.0° | 0.1° |
| N1 | C2 | N2 | HN22 | 54.7° | 179.7° |
| N1 | C2 | N3 | C4 | 0.6° | 0.9° |
| N1 | C2 | N3 | HN3 | 179.4° | 179.6° |
| C2 | N1 | C10 | N8 | 179.6° | 179.0° |
| C2 | N1 | C10 | C9 | 0.2° | 0.5° |
| C10 | N1 | C2 | N2 | 179.7° | 179.9° |
| C10 | N1 | C2 | N3 | 0.6° | 0.2° |
| N1 | C10 | C9 | C4 | 0.0° | 0.7° |
| N1 | C10 | C9 | N5 | 179.4° | 179.3° |
| N1 | C10 | N8 | C7 | 179.5° | 165.0° |
| N1 | C10 | N8 | C9 | 179.8° | 179.5° |
| N1 | C10 | N8 | HN8 | 55.3° | 16.0° |
| C2 | N2 | HN21 | HN22 | 125.2° | 179.6° |
| N2 | C2 | N3 | C4 | 179.9° | 179.5° |
| N2 | C2 | N3 | HN3 | 0.2° | 0.1° |
| N3 | C2 | N2 | HN21 | 0.8° | 179.8° |
| N3 | C2 | N2 | HN22 | 126.1° | 0.6° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.5° |
| C2 | N3 | C4 | O4 | 179.5° | 179.5° |
| C2 | N3 | C4 | C9 | 0.4° | 0.7° |
| N3 | C4 | O4 | C9 | 179.8° | 179.8° |
| N3 | C4 | C9 | N5 | 179.3° | 180.0° |
| N3 | C4 | C9 | C10 | 0.1° | 0.1° |
| HN3 | N3 | C4 | O4 | 0.5° | 0.0° |
| HN3 | N3 | C4 | C9 | 179.7° | 179.8° |
| O4 | C4 | C9 | N5 | 0.9° | 0.2° |
| O4 | C4 | C9 | C10 | 179.8° | 179.8° |
| C4 | C9 | N5 | C6 | 163.4° | 161.0° |
| C4 | C9 | N5 | C10 | 179.3° | 180.0° |
| C4 | C9 | N5 | C13 | 67.8° | 21.7° |
| C4 | C9 | C10 | N8 | 179.8° | 178.8° |
| C6 | N5 | C9 | C13 | 128.8° | 177.2° |
| N5 | C6 | C7 | C11 | 117.0° | 111.8° |
| N5 | C6 | C7 | H6 | 124.3° | 122.1° |
| N5 | C6 | C11 | H6 | 124.7° | 120.1° |
| N5 | C6 | C7 | N8 | 32.1° | 53.8° |
| N5 | C6 | C7 | H71 | 157.4° | 174.5° |
| N5 | C6 | C7 | H72 | 93.2° | 64.9° |
| C6 | N5 | C9 | C10 | 16.0° | 19.0° |
| N5 | C6 | C11 | O12 | 26.3° | 10.2° |
| N5 | C6 | C11 | H111 | 151.6° | 108.4° |
| N5 | C6 | C11 | H112 | 98.9° | 128.7° |
| C6 | N5 | C13 | O12 | 18.0° | 13.8° |
| C6 | N5 | C13 | O14 | 163.8° | 166.2° |
| C9 | N5 | C6 | C7 | 31.8° | 45.3° |
| C9 | N5 | C6 | C11 | 159.3° | 163.4° |
| C9 | N5 | C6 | H6 | 81.0° | 76.6° |
| N5 | C9 | C10 | N8 | 0.8° | 1.2° |
| C9 | N5 | C13 | O12 | 153.4° | 163.7° |
| C9 | N5 | C13 | O14 | 28.5° | 16.3° |
| C13 | N5 | C6 | C7 | 101.9° | 132.5° |
| C13 | N5 | C6 | C11 | 25.7° | 14.4° |
| C13 | N5 | C6 | H6 | 145.3° | 105.6° |
| C13 | N5 | C9 | C10 | 112.9° | 158.3° |
| N5 | C13 | O12 | C11 | 1.1° | 6.7° |
| N5 | C13 | O12 | O14 | 178.4° | 179.9° |
| C7 | C6 | C11 | H6 | 112.5° | 126.0° |
| C6 | C7 | N8 | H71 | 125.3° | 120.6° |
| C6 | C7 | N8 | H72 | 125.2° | 119.5° |
| C6 | C7 | H71 | H72 | 114.0° | 120.6° |
| C6 | C7 | N8 | C10 | 17.6° | 43.2° |
| C6 | C7 | N8 | HN8 | 142.9° | 135.7° |
| C7 | C6 | C11 | O12 | 96.5° | 124.1° |
| C7 | C6 | C11 | H111 | 28.8° | 5.5° |
| C7 | C6 | C11 | H112 | 138.2° | 117.3° |
| C11 | C6 | C7 | N8 | 149.0° | 165.6° |
| C11 | C6 | C7 | H71 | 85.7° | 73.6° |
| C11 | C6 | C7 | H72 | 23.8° | 47.0° |
| C6 | C11 | O12 | H111 | 125.3° | 118.6° |
| C6 | C11 | O12 | H112 | 125.3° | 118.6° |
| C6 | C11 | H111 | H112 | 118.2° | 122.8° |
| C6 | C11 | O12 | C13 | 16.3° | 3.0° |
| H6 | C6 | C7 | N8 | 92.2° | 68.3° |
| H6 | C6 | C7 | H71 | 33.1° | 52.4° |
| H6 | C6 | C7 | H72 | 142.5° | 173.0° |
| H6 | C6 | C11 | O12 | 151.1° | 109.9° |
| H6 | C6 | C11 | H111 | 83.7° | 131.5° |
| H6 | C6 | C11 | H112 | 25.8° | 8.7° |
| N8 | C7 | H71 | H72 | 114.1° | 119.1° |
| C7 | N8 | C10 | HN8 | 125.2° | 179.0° |
| C7 | N8 | C10 | C9 | 0.7° | 15.5° |
| H71 | C7 | N8 | C10 | 142.9° | 163.8° |
| H71 | C7 | N8 | HN8 | 91.9° | 15.2° |
| H72 | C7 | N8 | C10 | 107.6° | 76.2° |
| H72 | C7 | N8 | HN8 | 17.6° | 104.8° |
| HN8 | N8 | C10 | C9 | 124.5° | 163.5° |
| O12 | C11 | H111 | H112 | 118.1° | 122.8° |
| C11 | O12 | C13 | O14 | 179.5° | 173.3° |
| H111 | C11 | O12 | C13 | 141.6° | 115.6° |
| H112 | C11 | O12 | C13 | 109.0° | 121.6° |
