HA6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C01 | sing | 1.47Å | 1.47Å | |
| C1 | C06 | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C07 | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | C08 | sing | 1.32Å | 1.33Å | Aromatic |
| O1 | C02 | sing | 1.35Å | 1.34Å | |
| O1 | C03 | sing | 1.36Å | 1.41Å | |
| C01 | N01 | sing | 1.35Å | 1.38Å | |
| C01 | O01 | doub | 1.22Å | 1.23Å | |
| N01 | C02 | sing | 1.36Å | 1.36Å | |
| C02 | N04 | doub | 1.31Å | 1.32Å | |
| N02 | N03 | sing | 1.40Å | 1.35Å | Aromatic |
| N02 | C04 | sing | 1.36Å | 1.33Å | Aromatic |
| C03 | C04 | doub | 1.36Å | 1.39Å | Aromatic |
| C03 | C05 | sing | 1.40Å | 1.34Å | Aromatic |
| N03 | C05 | doub | 1.31Å | 1.33Å | Aromatic |
| N04 | C06 | sing | 1.35Å | 1.39Å | |
| C06 | C07 | sing | 1.40Å | 1.38Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C1 | C06 | 118.8° | 118.3° |
| C01 | C1 | C09 | 121.2° | 122.9° |
| C1 | C01 | N01 | 114.9° | 117.3° |
| C1 | C01 | O01 | 123.7° | 121.3° |
| C06 | C1 | C09 | 120.0° | 118.8° |
| C1 | C06 | N04 | 122.1° | 119.1° |
| C1 | C06 | C07 | 117.5° | 118.5° |
| C1 | C09 | C08 | 117.2° | 118.4° |
| C1 | C09 | H09 | 121.4° | 120.8° |
| C07 | N1 | C08 | 117.7° | 122.7° |
| N1 | C07 | C06 | 123.5° | 120.0° |
| N1 | C07 | H07 | 118.2° | 120.0° |
| N1 | C08 | C09 | 124.0° | 121.4° |
| N1 | C08 | H08 | 118.0° | 119.3° |
| C02 | O1 | C03 | 119.6° | 118.0° |
| O1 | C02 | N01 | 115.4° | 118.3° |
| O1 | C02 | N04 | 121.2° | 118.4° |
| O1 | C03 | C04 | 126.6° | 126.0° |
| O1 | C03 | C05 | 127.3° | 126.1° |
| N01 | C01 | O01 | 121.4° | 121.4° |
| C01 | N01 | C02 | 123.0° | 120.5° |
| C01 | N01 | HN01 | 118.5° | 119.7° |
| N01 | C02 | N04 | 123.4° | 123.3° |
| C02 | N01 | HN01 | 118.5° | 119.8° |
| C02 | N04 | C06 | 117.8° | 121.4° |
| N03 | N02 | C04 | 105.2° | 107.9° |
| N02 | N03 | C05 | 111.5° | 108.3° |
| N03 | N02 | HN02 | 127.4° | 126.1° |
| N02 | C04 | C03 | 109.8° | 107.5° |
| C04 | N02 | HN02 | 127.4° | 126.0° |
| N02 | C04 | H04 | 125.1° | 126.2° |
| C04 | C03 | C05 | 106.1° | 107.9° |
| C03 | C04 | H04 | 125.1° | 126.2° |
| C03 | C05 | N03 | 107.4° | 108.3° |
| C03 | C05 | H05 | 126.3° | 125.9° |
| N03 | C05 | H05 | 126.3° | 125.8° |
| N04 | C06 | C07 | 120.4° | 122.4° |
| C06 | C07 | H07 | 118.2° | 120.0° |
| C09 | C08 | H08 | 118.0° | 119.3° |
| C08 | C09 | H09 | 121.4° | 120.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C1 | C06 | C09 | 179.7° | 179.7° |
| C1 | C01 | N01 | O01 | 179.8° | 180.0° |
| C1 | C01 | N01 | C02 | 0.3° | 0.0° |
| C01 | C1 | C06 | N04 | 0.1° | 0.0° |
| C01 | C1 | C06 | C07 | 179.7° | 180.0° |
| C01 | C1 | C09 | C08 | 179.9° | 180.0° |
| C1 | C01 | N01 | HN01 | 179.6° | 180.0° |
| C01 | C1 | C09 | H09 | 0.1° | 0.0° |
| C1 | C06 | C07 | N1 | 0.6° | 0.1° |
| C06 | C1 | C01 | N01 | 0.3° | 0.0° |
| C06 | C1 | C01 | O01 | 179.8° | 179.9° |
| C1 | C06 | N04 | C02 | 0.1° | 0.0° |
| C1 | C06 | N04 | C07 | 179.8° | 179.9° |
| C06 | C1 | C09 | C08 | 0.4° | 0.3° |
| C1 | C06 | C07 | H07 | 179.4° | 180.0° |
| C06 | C1 | C09 | H09 | 179.6° | 179.7° |
| C1 | C09 | C08 | N1 | 0.3° | 0.0° |
| C09 | C1 | C01 | N01 | 179.9° | 179.8° |
| C09 | C1 | C01 | O01 | 0.1° | 0.2° |
| C09 | C1 | C06 | N04 | 179.8° | 179.8° |
| C09 | C1 | C06 | C07 | 0.1° | 0.3° |
| C1 | C09 | C08 | H09 | 180.0° | 180.0° |
| C1 | C09 | C08 | H08 | 179.7° | 179.7° |
| N1 | C07 | C06 | N04 | 179.6° | 180.0° |
| N1 | C07 | C06 | H07 | 180.0° | 179.9° |
| C07 | N1 | C08 | C09 | 0.2° | 0.2° |
| C07 | N1 | C08 | H08 | 179.8° | 180.0° |
| C08 | N1 | C07 | C06 | 0.6° | 0.2° |
| N1 | C08 | C09 | H08 | 180.0° | 179.7° |
| C08 | N1 | C07 | H07 | 179.4° | 179.7° |
| N1 | C08 | C09 | H09 | 179.7° | 180.0° |
| O1 | C02 | N01 | C01 | 179.9° | 180.0° |
| O1 | C02 | N01 | N04 | 180.0° | 180.0° |
| C02 | O1 | C03 | C04 | 80.5° | 174.3° |
| C02 | O1 | C03 | C05 | 100.0° | 5.7° |
| O1 | C02 | N04 | C06 | 179.9° | 180.0° |
| O1 | C02 | N01 | HN01 | 0.2° | 0.0° |
| C03 | O1 | C02 | N01 | 157.5° | 174.7° |
| C03 | O1 | C02 | N04 | 22.5° | 5.3° |
| O1 | C03 | C04 | N02 | 179.9° | 180.0° |
| O1 | C03 | C04 | C05 | 179.6° | 180.0° |
| O1 | C03 | C05 | N03 | 179.8° | 180.0° |
| O1 | C03 | C04 | H04 | 0.1° | 0.0° |
| O1 | C03 | C05 | H05 | 0.1° | 0.0° |
| C01 | N01 | C02 | HN01 | 180.0° | 179.9° |
| C01 | N01 | C02 | N04 | 0.1° | 0.0° |
| O01 | C01 | N01 | C02 | 179.8° | 179.9° |
| O01 | C01 | N01 | HN01 | 0.2° | 0.0° |
| N01 | C02 | N04 | C06 | 0.1° | 0.0° |
| C02 | N04 | C06 | C07 | 179.9° | 180.0° |
| N04 | C02 | N01 | HN01 | 179.9° | 180.0° |
| N03 | N02 | C04 | HN02 | 180.0° | 179.8° |
| N03 | N02 | C04 | C03 | 0.3° | 0.0° |
| N02 | N03 | C05 | C03 | 0.1° | 0.0° |
| N03 | N02 | C04 | H04 | 179.7° | 180.0° |
| N02 | N03 | C05 | H05 | 179.9° | 179.9° |
| N02 | C04 | C03 | H04 | 180.0° | 179.9° |
| N02 | C04 | C03 | C05 | 0.3° | 0.0° |
| C04 | N02 | N03 | C05 | 0.1° | 0.0° |
| C04 | C03 | C05 | N03 | 0.2° | 0.0° |
| C03 | C04 | N02 | HN02 | 179.7° | 179.7° |
| C04 | C03 | C05 | H05 | 179.7° | 180.0° |
| C03 | C05 | N03 | H05 | 180.0° | 179.9° |
| C05 | C03 | C04 | H04 | 179.6° | 180.0° |
| C05 | N03 | N02 | HN02 | 179.9° | 179.8° |
| N04 | C06 | C07 | H07 | 0.4° | 0.1° |
| HN02 | N02 | C04 | H04 | 0.3° | 0.2° |
| H08 | C08 | C09 | H09 | 0.3° | 0.3° |
