A1I2N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | O12 | sing | 1.43Å | 1.35Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| O12 | C13 | sing | 1.43Å | 1.36Å | |
| C10 | N09 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| N09 | C14 | sing | 1.47Å | 1.44Å | |
| N09 | C08 | sing | 1.38Å | 1.43Å | |
| C08 | N07 | doub | 1.32Å | 1.29Å | Aromatic |
| C08 | C03 | sing | 1.41Å | 1.36Å | Aromatic |
| N07 | C06 | sing | 1.32Å | 1.28Å | Aromatic |
| N01 | C02 | trip | 1.14Å | 1.10Å | |
| C02 | C03 | sing | 1.43Å | 1.51Å | |
| C03 | C04 | doub | 1.40Å | 1.37Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C10 | 112.7° | 109.3° |
| C11 | O12 | C13 | 117.2° | 113.7° |
| O12 | C11 | H8 | 108.7° | 109.5° |
| O12 | C11 | H9 | 108.6° | 109.5° |
| C11 | C10 | N09 | 116.2° | 109.2° |
| C11 | C10 | H1 | 107.8° | 109.5° |
| C11 | C10 | H2 | 107.8° | 109.6° |
| C10 | C11 | H8 | 108.6° | 109.5° |
| C10 | C11 | H9 | 108.6° | 109.5° |
| O12 | C13 | C14 | 115.4° | 109.3° |
| O12 | C13 | H3 | 107.9° | 109.5° |
| O12 | C13 | H4 | 108.0° | 109.5° |
| C10 | N09 | C14 | 109.4° | 110.8° |
| C10 | N09 | C08 | 119.8° | 111.0° |
| N09 | C10 | H1 | 107.8° | 109.5° |
| N09 | C10 | H2 | 107.8° | 109.5° |
| C13 | C14 | N09 | 110.2° | 109.2° |
| C14 | C13 | H3 | 108.0° | 109.5° |
| C14 | C13 | H4 | 108.0° | 109.5° |
| C13 | C14 | H10 | 109.3° | 109.5° |
| C13 | C14 | H11 | 109.3° | 109.5° |
| C14 | N09 | C08 | 117.6° | 111.0° |
| N09 | C14 | H10 | 109.3° | 109.5° |
| N09 | C14 | H11 | 109.3° | 109.6° |
| N09 | C08 | N07 | 119.0° | 119.8° |
| N09 | C08 | C03 | 121.5° | 119.8° |
| N07 | C08 | C03 | 119.4° | 120.3° |
| C08 | N07 | C06 | 123.4° | 121.8° |
| C08 | C03 | C02 | 120.1° | 120.6° |
| C08 | C03 | C04 | 120.2° | 118.8° |
| N07 | C06 | C05 | 120.1° | 121.2° |
| N07 | C06 | H7 | 119.9° | 119.4° |
| N01 | C02 | C03 | 178.6° | 180.0° |
| C02 | C03 | C04 | 119.7° | 120.6° |
| C03 | C04 | C05 | 117.7° | 118.3° |
| C03 | C04 | H5 | 121.2° | 120.8° |
| C06 | C05 | C04 | 119.1° | 119.5° |
| C06 | C05 | H6 | 120.4° | 120.2° |
| C05 | C06 | H7 | 120.0° | 119.4° |
| C05 | C04 | H5 | 121.2° | 120.8° |
| C04 | C05 | H6 | 120.5° | 120.2° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C10 | H8 | 120.5° | 120.0° |
| O12 | C11 | C10 | H9 | 120.5° | 119.9° |
| O12 | C11 | C10 | N09 | 36.1° | 56.8° |
| C11 | O12 | C13 | C14 | 5.8° | 58.6° |
| O12 | C11 | C10 | H1 | 84.9° | 63.1° |
| O12 | C11 | C10 | H2 | 157.1° | 176.8° |
| C11 | O12 | C13 | H3 | 115.1° | 178.6° |
| C11 | O12 | C13 | H4 | 126.7° | 61.4° |
| O12 | C11 | H8 | H9 | 118.5° | 120.1° |
| C10 | C11 | O12 | C13 | 46.9° | 58.6° |
| C11 | C10 | N09 | H1 | 121.0° | 119.9° |
| C11 | C10 | N09 | H2 | 121.0° | 120.0° |
| C11 | C10 | N09 | C14 | 15.6° | 58.6° |
| C11 | C10 | N09 | C08 | 155.8° | 177.6° |
| C11 | C10 | H1 | H2 | 116.9° | 120.1° |
| C10 | C11 | H8 | H9 | 118.5° | 120.1° |
| O12 | C13 | C14 | H3 | 120.8° | 120.0° |
| O12 | C13 | C14 | H4 | 120.9° | 120.0° |
| O12 | C13 | C14 | N09 | 48.2° | 56.8° |
| O12 | C13 | H3 | H4 | 117.3° | 120.1° |
| C13 | O12 | C11 | H8 | 167.4° | 178.6° |
| C13 | O12 | C11 | H9 | 73.5° | 61.3° |
| O12 | C13 | C14 | H10 | 71.9° | 63.1° |
| O12 | C13 | C14 | H11 | 168.3° | 176.8° |
| C10 | N09 | C14 | C13 | 55.2° | 58.6° |
| C10 | N09 | C14 | C08 | 141.2° | 123.7° |
| C10 | N09 | C08 | N07 | 29.6° | 62.0° |
| C10 | N09 | C08 | C03 | 147.9° | 118.6° |
| N09 | C10 | H1 | H2 | 117.0° | 120.1° |
| N09 | C10 | C11 | H8 | 156.6° | 176.8° |
| N09 | C10 | C11 | H9 | 84.4° | 63.1° |
| C10 | N09 | C14 | H10 | 64.9° | 61.3° |
| C10 | N09 | C14 | H11 | 175.4° | 178.6° |
| C13 | C14 | N09 | H10 | 120.1° | 119.9° |
| C13 | C14 | N09 | H11 | 120.1° | 120.0° |
| C13 | C14 | N09 | C08 | 163.5° | 177.6° |
| C14 | C13 | H3 | H4 | 117.3° | 120.1° |
| C13 | C14 | H10 | H11 | 119.7° | 120.1° |
| C14 | N09 | C08 | N07 | 107.5° | 61.6° |
| C14 | N09 | C08 | C03 | 75.0° | 117.7° |
| C14 | N09 | C10 | H1 | 136.6° | 61.3° |
| C14 | N09 | C10 | H2 | 105.4° | 178.6° |
| N09 | C14 | C13 | H3 | 169.0° | 176.8° |
| N09 | C14 | C13 | H4 | 72.7° | 63.2° |
| N09 | C14 | H10 | H11 | 119.7° | 120.2° |
| N09 | C08 | N07 | C03 | 177.5° | 179.4° |
| N09 | C08 | N07 | C06 | 179.1° | 180.0° |
| N09 | C08 | C03 | C02 | 0.4° | 0.3° |
| N09 | C08 | C03 | C04 | 179.2° | 180.0° |
| C08 | N09 | C10 | H1 | 83.2° | 62.5° |
| C08 | N09 | C10 | H2 | 34.8° | 57.6° |
| C08 | N09 | C14 | H10 | 76.3° | 62.5° |
| C08 | N09 | C14 | H11 | 43.4° | 57.7° |
| N07 | C08 | C03 | C02 | 177.9° | 179.6° |
| N07 | C08 | C03 | C04 | 3.4° | 0.6° |
| C08 | N07 | C06 | C05 | 2.0° | 0.3° |
| C08 | N07 | C06 | H7 | 178.1° | 179.7° |
| C03 | C08 | N07 | C06 | 3.4° | 0.7° |
| C08 | C03 | C02 | N01 | 1.7° | 19.3° |
| C08 | C03 | C02 | C04 | 178.8° | 179.7° |
| C08 | C03 | C04 | C05 | 1.9° | 0.3° |
| C08 | C03 | C04 | H5 | 178.1° | 179.8° |
| N07 | C06 | C05 | H7 | 180.0° | 180.0° |
| N07 | C06 | C05 | C04 | 0.4° | 0.0° |
| N07 | C06 | C05 | H6 | 179.6° | 180.0° |
| N01 | C02 | C03 | C04 | 179.5° | 160.5° |
| C02 | C03 | C04 | C05 | 179.3° | 180.0° |
| C02 | C03 | C04 | H5 | 0.7° | 0.0° |
| C03 | C04 | C05 | C06 | 0.5° | 0.1° |
| C03 | C04 | C05 | H5 | 180.0° | 180.0° |
| C03 | C04 | C05 | H6 | 179.5° | 180.0° |
| C06 | C05 | C04 | H6 | 180.0° | 179.9° |
| C06 | C05 | C04 | H5 | 179.5° | 179.9° |
| C04 | C05 | C06 | H7 | 179.6° | 180.0° |
| H1 | C10 | C11 | H8 | 35.6° | 56.9° |
| H1 | C10 | C11 | H9 | 154.7° | 177.0° |
| H2 | C10 | C11 | H8 | 82.4° | 63.2° |
| H2 | C10 | C11 | H9 | 36.6° | 56.9° |
| H3 | C13 | C14 | H10 | 48.9° | 56.9° |
| H3 | C13 | C14 | H11 | 70.9° | 63.2° |
| H4 | C13 | C14 | H10 | 167.2° | 176.9° |
| H4 | C13 | C14 | H11 | 47.4° | 56.8° |
| H5 | C04 | C05 | H6 | 0.5° | 0.0° |
| H6 | C05 | C06 | H7 | 0.4° | 0.1° |
