A1I4P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | N2 | sing | 1.34Å | 1.39Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| N2 | C11 | sing | 1.34Å | 1.38Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C11 | C4 | sing | 1.51Å | 1.54Å | |
| C11 | O2 | doub | 1.21Å | 1.22Å | |
| C4 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C5 | sing | 1.40Å | 1.39Å | |
| C10 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.6° | 119.4° |
| O1 | C1 | N2 | 121.2° | 119.4° |
| C2 | C1 | N2 | 116.2° | 121.3° |
| C1 | C2 | C3 | 113.5° | 109.2° |
| C1 | C2 | H1 | 108.5° | 109.5° |
| C1 | C2 | H2 | 108.5° | 109.5° |
| C1 | N2 | C11 | 126.8° | 122.6° |
| C1 | N2 | H7 | 116.6° | 118.7° |
| C2 | C3 | C4 | 109.1° | 108.6° |
| C3 | C2 | H1 | 108.5° | 109.5° |
| C3 | C2 | H2 | 108.5° | 109.5° |
| C2 | C3 | H8 | 109.5° | 109.7° |
| C2 | C3 | H9 | 109.5° | 109.6° |
| N2 | C11 | C4 | 116.8° | 121.3° |
| N2 | C11 | O2 | 121.2° | 119.4° |
| C11 | N2 | H7 | 116.6° | 118.7° |
| C3 | C4 | C11 | 111.0° | 109.1° |
| C3 | C4 | N1 | 111.9° | 109.6° |
| C3 | C4 | H3 | 106.9° | 109.5° |
| C4 | C3 | H8 | 109.6° | 109.6° |
| C4 | C3 | H9 | 109.6° | 109.6° |
| C4 | C11 | O2 | 122.0° | 119.3° |
| C11 | C4 | N1 | 112.4° | 109.6° |
| C11 | C4 | H3 | 106.8° | 109.5° |
| C4 | N1 | C5 | 124.9° | 120.0° |
| N1 | C4 | H3 | 107.4° | 109.5° |
| C4 | N1 | H10 | 105.5° | 120.0° |
| N1 | C5 | C10 | 122.0° | 120.1° |
| N1 | C5 | C6 | 119.1° | 120.1° |
| C5 | N1 | H10 | 105.5° | 120.0° |
| C5 | C10 | C9 | 120.0° | 120.0° |
| C10 | C5 | C6 | 118.9° | 119.8° |
| C5 | C10 | H6 | 120.0° | 120.0° |
| C10 | C9 | C8 | 120.6° | 120.1° |
| C10 | C9 | H5 | 119.7° | 120.0° |
| C9 | C10 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | 120.0° | 119.9° |
| C5 | C6 | H12 | 120.0° | 120.0° |
| C9 | C8 | C7 | 120.0° | 120.2° |
| C8 | C9 | H5 | 119.7° | 119.9° |
| C9 | C8 | H11 | 120.0° | 119.9° |
| C6 | C7 | C8 | 120.5° | 120.1° |
| C6 | C7 | H4 | 119.8° | 120.0° |
| C7 | C6 | H12 | 120.0° | 120.0° |
| C8 | C7 | H4 | 119.7° | 120.0° |
| C7 | C8 | H11 | 120.0° | 119.9° |
| H1 | C2 | H2 | 109.5° | 109.6° |
| H8 | C3 | H9 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N2 | 179.5° | 179.7° |
| O1 | C1 | C2 | C3 | 156.0° | 151.2° |
| O1 | C1 | N2 | C11 | 171.4° | 179.8° |
| O1 | C1 | C2 | H1 | 35.4° | 31.3° |
| O1 | C1 | C2 | H2 | 83.4° | 88.9° |
| O1 | C1 | N2 | H7 | 8.6° | 0.2° |
| C1 | C2 | C3 | H1 | 120.6° | 119.9° |
| C1 | C2 | C3 | H2 | 120.6° | 119.9° |
| C2 | C1 | N2 | C11 | 9.1° | 0.5° |
| C1 | C2 | C3 | C4 | 54.6° | 55.7° |
| C1 | C2 | H1 | H2 | 118.2° | 120.1° |
| C2 | C1 | N2 | H7 | 170.9° | 179.5° |
| C1 | C2 | C3 | H8 | 65.3° | 64.1° |
| C1 | C2 | C3 | H9 | 174.5° | 175.3° |
| N2 | C1 | C2 | C3 | 23.5° | 29.1° |
| C1 | N2 | C11 | H7 | 180.0° | 180.0° |
| C1 | N2 | C11 | C4 | 7.9° | 0.5° |
| C1 | N2 | C11 | O2 | 173.2° | 179.5° |
| N2 | C1 | C2 | H1 | 144.1° | 149.0° |
| N2 | C1 | C2 | H2 | 97.1° | 90.8° |
| C2 | C3 | C4 | H8 | 119.9° | 119.8° |
| C2 | C3 | C4 | H9 | 119.9° | 119.7° |
| C2 | C3 | C4 | C11 | 54.6° | 55.6° |
| C2 | C3 | C4 | N1 | 178.9° | 175.6° |
| C3 | C2 | H1 | H2 | 118.2° | 120.2° |
| C2 | C3 | C4 | H3 | 61.6° | 64.3° |
| C2 | C3 | H8 | H9 | 120.1° | 120.5° |
| N2 | C11 | C4 | C3 | 25.3° | 29.1° |
| N2 | C11 | C4 | O2 | 178.9° | 180.0° |
| N2 | C11 | C4 | N1 | 151.5° | 149.0° |
| N2 | C11 | C4 | H3 | 90.9° | 90.8° |
| C3 | C4 | C11 | N1 | 126.2° | 120.0° |
| C3 | C4 | C11 | H3 | 116.2° | 119.9° |
| C3 | C4 | C11 | O2 | 153.5° | 151.0° |
| C3 | C4 | N1 | H3 | 117.1° | 120.1° |
| C3 | C4 | N1 | C5 | 53.2° | 155.2° |
| C4 | C3 | C2 | H1 | 175.2° | 175.5° |
| C4 | C3 | C2 | H2 | 66.0° | 64.2° |
| C4 | C3 | H8 | H9 | 120.2° | 120.4° |
| C3 | C4 | N1 | H10 | 68.8° | 24.9° |
| C11 | C4 | N1 | H3 | 117.2° | 120.2° |
| C11 | C4 | N1 | C5 | 72.5° | 85.1° |
| C4 | C11 | N2 | H7 | 172.1° | 179.5° |
| C11 | C4 | C3 | H8 | 65.4° | 64.2° |
| C11 | C4 | C3 | H9 | 174.5° | 175.3° |
| C11 | C4 | N1 | H10 | 165.4° | 94.8° |
| O2 | C11 | C4 | N1 | 27.3° | 31.0° |
| O2 | C11 | C4 | H3 | 90.2° | 89.2° |
| O2 | C11 | N2 | H7 | 6.8° | 0.5° |
| C4 | N1 | C5 | H10 | 122.1° | 179.9° |
| C4 | N1 | C5 | C10 | 47.0° | 180.0° |
| C4 | N1 | C5 | C6 | 131.6° | 0.4° |
| N1 | C4 | C3 | H8 | 61.1° | 55.8° |
| N1 | C4 | C3 | H9 | 59.0° | 64.7° |
| N1 | C5 | C10 | C6 | 178.7° | 179.7° |
| N1 | C5 | C10 | C9 | 178.8° | 180.0° |
| N1 | C5 | C6 | C7 | 177.9° | 179.7° |
| C5 | N1 | C4 | H3 | 170.3° | 35.1° |
| N1 | C5 | C10 | H6 | 1.2° | 0.3° |
| N1 | C5 | C6 | H12 | 2.1° | 0.4° |
| C5 | C10 | C9 | H6 | 180.0° | 179.7° |
| C5 | C10 | C9 | C8 | 0.1° | 0.4° |
| C10 | C5 | C6 | C7 | 0.8° | 0.1° |
| C5 | C10 | C9 | H5 | 179.9° | 179.8° |
| C10 | C5 | N1 | H10 | 169.1° | 0.1° |
| C10 | C5 | C6 | H12 | 179.2° | 179.9° |
| C9 | C10 | C5 | C6 | 0.1° | 0.3° |
| C10 | C9 | C8 | H5 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.9° | 0.1° |
| C10 | C9 | C8 | H11 | 179.1° | 179.9° |
| C5 | C6 | C7 | H12 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.7° | 0.2° |
| C5 | C6 | C7 | H4 | 178.3° | 180.0° |
| C6 | C5 | C10 | H6 | 179.9° | 179.9° |
| C6 | C5 | N1 | H10 | 9.6° | 179.7° |
| C9 | C8 | C7 | C6 | 1.8° | 0.2° |
| C9 | C8 | C7 | H11 | 180.0° | 179.8° |
| C9 | C8 | C7 | H4 | 178.2° | 180.0° |
| C8 | C9 | C10 | H6 | 179.9° | 179.9° |
| C6 | C7 | C8 | H4 | 180.0° | 179.8° |
| C6 | C7 | C8 | H11 | 178.2° | 179.7° |
| C7 | C8 | C9 | H5 | 179.1° | 180.0° |
| C8 | C7 | C6 | H12 | 178.3° | 179.7° |
| H1 | C2 | C3 | H8 | 55.3° | 55.8° |
| H1 | C2 | C3 | H9 | 64.9° | 64.8° |
| H2 | C2 | C3 | H8 | 174.1° | 176.0° |
| H2 | C2 | C3 | H9 | 53.9° | 55.4° |
| H3 | C4 | C3 | H8 | 178.5° | 175.9° |
| H3 | C4 | C3 | H9 | 58.4° | 55.4° |
| H3 | C4 | N1 | H10 | 48.2° | 145.0° |
| H4 | C7 | C8 | H11 | 1.8° | 0.1° |
| H4 | C7 | C6 | H12 | 1.7° | 0.1° |
| H5 | C9 | C10 | H6 | 0.1° | 0.1° |
| H5 | C9 | C8 | H11 | 0.9° | 0.2° |
