AHI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C09 | sing | 1.38Å | 1.36Å | |
| N10 | H101 | sing | 0.97Å | 1.02Å | |
| N10 | H102 | sing | 0.97Å | 1.02Å | |
| C09 | NP1 | doub | 1.30Å | 1.30Å | |
| C09 | N08 | sing | 1.38Å | 1.38Å | |
| NP1 | O16 | sing | 1.42Å | 1.31Å | |
| N08 | C07 | sing | 1.46Å | 1.49Å | |
| N08 | H08 | sing | 0.97Å | 1.02Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C07 | H071 | sing | 1.09Å | 1.12Å | |
| C07 | H072 | sing | 1.09Å | 1.12Å | |
| C06 | C03 | sing | 1.53Å | 1.62Å | |
| C06 | H061 | sing | 1.09Å | 1.11Å | |
| C06 | H062 | sing | 1.09Å | 1.11Å | |
| C03 | N02 | sing | 1.47Å | 1.50Å | |
| C03 | H031 | sing | 1.09Å | 1.12Å | |
| C03 | H032 | sing | 1.09Å | 1.11Å | |
| N02 | H021 | sing | 1.01Å | 1.02Å | |
| N02 | H022 | sing | 1.01Å | 1.02Å | |
| N02 | H023 | sing | 1.01Å | 1.02Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | N10 | H101 | 120.4° | 120.0° |
| C09 | N10 | H102 | 108.3° | 120.0° |
| N10 | C09 | NP1 | 120.4° | 120.0° |
| N10 | C09 | N08 | 115.8° | 120.0° |
| H101 | N10 | H102 | 108.3° | 120.0° |
| NP1 | C09 | N08 | 123.7° | 120.0° |
| C09 | NP1 | O16 | 120.2° | 120.0° |
| C09 | N08 | C07 | 120.4° | 120.0° |
| C09 | N08 | H08 | 108.3° | 120.0° |
| NP1 | O16 | H16 | 120.2° | 106.8° |
| C07 | N08 | H08 | 108.3° | 120.0° |
| N08 | C07 | C06 | 105.8° | 109.5° |
| N08 | C07 | H071 | 113.6° | 109.5° |
| N08 | C07 | H072 | 113.6° | 109.5° |
| C06 | C07 | H071 | 113.7° | 109.4° |
| C06 | C07 | H072 | 113.6° | 109.4° |
| C07 | C06 | C03 | 107.3° | 109.5° |
| C07 | C06 | H061 | 113.0° | 109.4° |
| C07 | C06 | H062 | 113.0° | 109.4° |
| H071 | C07 | H072 | 96.8° | 109.5° |
| C03 | C06 | H061 | 113.0° | 109.5° |
| C03 | C06 | H062 | 113.0° | 109.5° |
| C06 | C03 | N02 | 101.8° | 109.5° |
| C06 | C03 | H031 | 115.1° | 109.5° |
| C06 | C03 | H032 | 115.1° | 109.5° |
| H061 | C06 | H062 | 97.5° | 109.5° |
| N02 | C03 | H031 | 115.2° | 109.5° |
| N02 | C03 | H032 | 115.2° | 109.5° |
| C03 | N02 | H021 | 101.8° | 109.4° |
| C03 | N02 | H022 | 115.1° | 109.4° |
| C03 | N02 | H023 | 115.1° | 109.4° |
| H031 | C03 | H032 | 95.3° | 109.4° |
| H021 | N02 | H022 | 115.2° | 109.5° |
| H021 | N02 | H023 | 115.2° | 109.5° |
| H022 | N02 | H023 | 95.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | N10 | H101 | H102 | 125.3° | 179.7° |
| N10 | C09 | NP1 | N08 | 175.8° | 180.0° |
| N10 | C09 | NP1 | O16 | 3.9° | 0.0° |
| N10 | C09 | N08 | C07 | 177.5° | 0.0° |
| N10 | C09 | N08 | H08 | 52.2° | 180.0° |
| H101 | N10 | C09 | NP1 | 180.0° | 0.0° |
| H101 | N10 | C09 | N08 | 3.9° | 180.0° |
| H102 | N10 | C09 | NP1 | 54.7° | 179.7° |
| H102 | N10 | C09 | N08 | 121.4° | 0.3° |
| NP1 | C09 | N08 | C07 | 1.6° | 180.0° |
| NP1 | C09 | N08 | H08 | 123.7° | 0.0° |
| C09 | NP1 | O16 | H16 | 180.0° | 180.0° |
| N08 | C09 | NP1 | O16 | 179.7° | 180.0° |
| C09 | N08 | C07 | H08 | 125.2° | 180.0° |
| C09 | N08 | C07 | C06 | 174.8° | 180.0° |
| C09 | N08 | C07 | H071 | 59.8° | 60.0° |
| C09 | N08 | C07 | H072 | 49.5° | 60.0° |
| N08 | C07 | C06 | H071 | 125.3° | 120.0° |
| N08 | C07 | C06 | H072 | 125.3° | 120.0° |
| N08 | C07 | H071 | H072 | 119.5° | 120.0° |
| N08 | C07 | C06 | C03 | 165.6° | 180.0° |
| N08 | C07 | C06 | H061 | 40.4° | 60.0° |
| N08 | C07 | C06 | H062 | 69.1° | 60.0° |
| H08 | N08 | C07 | C06 | 59.9° | 0.0° |
| H08 | N08 | C07 | H071 | 65.4° | 120.0° |
| H08 | N08 | C07 | H072 | 174.8° | 120.0° |
| C06 | C07 | H071 | H072 | 119.6° | 119.9° |
| C07 | C06 | C03 | H061 | 125.2° | 120.0° |
| C07 | C06 | C03 | H062 | 125.2° | 120.0° |
| C07 | C06 | H061 | H062 | 118.9° | 120.0° |
| C07 | C06 | C03 | N02 | 124.4° | 180.0° |
| C07 | C06 | C03 | H031 | 0.8° | 60.0° |
| C07 | C06 | C03 | H032 | 110.2° | 60.0° |
| H071 | C07 | C06 | C03 | 69.1° | 60.0° |
| H071 | C07 | C06 | H061 | 165.7° | 180.0° |
| H071 | C07 | C06 | H062 | 56.1° | 60.1° |
| H072 | C07 | C06 | C03 | 40.3° | 60.0° |
| H072 | C07 | C06 | H061 | 84.9° | 60.0° |
| H072 | C07 | C06 | H062 | 165.6° | 180.0° |
| C03 | C06 | H061 | H062 | 119.0° | 120.0° |
| C06 | C03 | N02 | H031 | 125.2° | 120.0° |
| C06 | C03 | N02 | H032 | 125.3° | 120.0° |
| C06 | C03 | H031 | H032 | 121.0° | 119.9° |
| C06 | C03 | N02 | H021 | 180.0° | 60.0° |
| C06 | C03 | N02 | H022 | 54.7° | 60.0° |
| C06 | C03 | N02 | H023 | 54.7° | 180.0° |
| H061 | C06 | C03 | N02 | 110.4° | 60.0° |
| H061 | C06 | C03 | H031 | 124.4° | 179.9° |
| H061 | C06 | C03 | H032 | 15.0° | 60.0° |
| H062 | C06 | C03 | N02 | 0.8° | 60.0° |
| H062 | C06 | C03 | H031 | 126.1° | 60.0° |
| H062 | C06 | C03 | H032 | 124.5° | 180.0° |
| N02 | C03 | H031 | H032 | 121.1° | 120.0° |
| C03 | N02 | H021 | H022 | 125.3° | 120.0° |
| C03 | N02 | H021 | H023 | 125.2° | 120.0° |
| C03 | N02 | H022 | H023 | 121.0° | 120.0° |
| H031 | C03 | N02 | H021 | 54.8° | 180.0° |
| H031 | C03 | N02 | H022 | 179.9° | 60.0° |
| H031 | C03 | N02 | H023 | 70.5° | 60.0° |
| H032 | C03 | N02 | H021 | 54.7° | 60.0° |
| H032 | C03 | N02 | H022 | 70.6° | 180.0° |
| H032 | C03 | N02 | H023 | 180.0° | 60.0° |
| H021 | N02 | H022 | H023 | 121.0° | 120.1° |
