A1H6U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C1 | sing | 1.43Å | 1.42Å | |
| C1 | CA | sing | 1.51Å | 1.49Å | |
| CA | N | sing | 1.37Å | 1.38Å | Aromatic |
| N | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | CG2 | sing | 1.41Å | 1.41Å | Aromatic |
| CG2 | C5 | doub | 1.36Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| C3 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | N2 | sing | 1.33Å | 1.37Å | Aromatic |
| N2 | C8 | doub | 1.31Å | 1.31Å | Aromatic |
| C1 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | CD1 | sing | 1.53Å | 1.52Å | |
| CD1 | CG1 | sing | 1.53Å | 1.52Å | |
| CG1 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| CA | C6 | doub | 1.35Å | 1.34Å | Aromatic |
| C8 | N | sing | 1.35Å | 1.37Å | Aromatic |
| C14 | C9 | sing | 1.53Å | 1.52Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| CG2 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| CD1 | H10 | sing | 1.09Å | 1.10Å | |
| CD1 | H9 | sing | 1.09Å | 1.10Å | |
| CG1 | H12 | sing | 1.09Å | 1.10Å | |
| CG1 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C1 | CA | 109.9° | 109.5° |
| O | C1 | C9 | 111.4° | 109.5° |
| C1 | O | H1 | 109.5° | 114.0° |
| O | C1 | H2 | 108.3° | 109.5° |
| C1 | CA | N | 120.9° | 119.7° |
| CA | C1 | C9 | 112.6° | 109.5° |
| C1 | CA | C6 | 120.1° | 119.7° |
| CA | C1 | H2 | 107.4° | 109.4° |
| CA | N | C3 | 122.5° | 119.9° |
| N | CA | C6 | 118.9° | 120.6° |
| CA | N | C8 | 131.1° | 133.1° |
| N | C3 | CG2 | 118.3° | 119.9° |
| N | C3 | C7 | 105.6° | 106.4° |
| C3 | N | C8 | 106.4° | 106.9° |
| C3 | CG2 | C5 | 119.6° | 119.2° |
| CG2 | C3 | C7 | 136.1° | 133.7° |
| C3 | CG2 | H3 | 120.2° | 120.4° |
| CG2 | C5 | C6 | 120.7° | 119.8° |
| CG2 | C5 | H4 | 119.6° | 120.1° |
| C5 | CG2 | H3 | 120.2° | 120.4° |
| C5 | C6 | CA | 119.3° | 120.6° |
| C6 | C5 | H4 | 119.6° | 120.1° |
| C5 | C6 | H5 | 120.3° | 119.7° |
| C3 | C7 | N2 | 111.0° | 107.5° |
| C3 | C7 | H6 | 124.5° | 126.3° |
| C7 | N2 | C8 | 104.4° | 109.9° |
| N2 | C7 | H6 | 124.5° | 126.3° |
| N2 | C8 | N | 112.6° | 109.4° |
| N2 | C8 | H7 | 123.7° | 125.3° |
| C1 | C9 | CD1 | 113.4° | 109.4° |
| C1 | C9 | C14 | 111.3° | 109.5° |
| C9 | C1 | H2 | 107.1° | 109.4° |
| C1 | C9 | H8 | 107.6° | 109.5° |
| C9 | CD1 | CG1 | 111.6° | 109.4° |
| CD1 | C9 | C14 | 109.2° | 109.5° |
| CD1 | C9 | H8 | 107.5° | 109.4° |
| C9 | CD1 | H10 | 108.9° | 109.5° |
| C9 | CD1 | H9 | 109.0° | 109.5° |
| CD1 | CG1 | C12 | 113.6° | 109.5° |
| CG1 | CD1 | H10 | 108.9° | 109.4° |
| CG1 | CD1 | H9 | 108.9° | 109.5° |
| CD1 | CG1 | H12 | 108.4° | 109.4° |
| CD1 | CG1 | H11 | 108.4° | 109.4° |
| CG1 | C12 | C13 | 112.2° | 109.5° |
| C12 | CG1 | H12 | 108.4° | 109.5° |
| C12 | CG1 | H11 | 108.4° | 109.5° |
| CG1 | C12 | H13 | 108.8° | 109.5° |
| CG1 | C12 | H14 | 108.8° | 109.5° |
| C12 | C13 | C14 | 112.0° | 109.4° |
| C12 | C13 | H16 | 108.8° | 109.4° |
| C12 | C13 | H15 | 108.9° | 109.5° |
| C13 | C12 | H13 | 108.8° | 109.4° |
| C13 | C12 | H14 | 108.8° | 109.5° |
| C13 | C14 | C9 | 111.0° | 109.4° |
| C14 | C13 | H16 | 108.8° | 109.5° |
| C14 | C13 | H15 | 108.8° | 109.5° |
| C13 | C14 | H18 | 109.1° | 109.5° |
| C13 | C14 | H17 | 109.1° | 109.4° |
| CA | C6 | H5 | 120.4° | 119.7° |
| N | C8 | H7 | 123.7° | 125.3° |
| C14 | C9 | H8 | 107.5° | 109.5° |
| C9 | C14 | H18 | 109.1° | 109.5° |
| C9 | C14 | H17 | 109.1° | 109.5° |
| H16 | C13 | H15 | 109.5° | 109.5° |
| H10 | CD1 | H9 | 109.5° | 109.5° |
| H12 | CG1 | H11 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H18 | C14 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C1 | CA | C9 | 124.8° | 120.0° |
| O | C1 | CA | H2 | 117.5° | 120.0° |
| O | C1 | CA | N | 48.0° | 55.0° |
| O | C1 | C9 | H2 | 118.2° | 120.0° |
| O | C1 | C9 | CD1 | 51.9° | 60.0° |
| O | C1 | CA | C6 | 128.2° | 124.9° |
| O | C1 | C9 | C14 | 175.5° | 180.0° |
| O | C1 | C9 | H8 | 66.9° | 60.0° |
| C1 | CA | N | C6 | 176.2° | 180.0° |
| C1 | CA | N | C3 | 177.8° | 180.0° |
| C1 | CA | C6 | C5 | 174.6° | 180.0° |
| CA | C1 | C9 | H2 | 117.8° | 119.9° |
| CA | C1 | C9 | CD1 | 175.9° | 180.0° |
| C1 | CA | N | C8 | 3.5° | 0.1° |
| CA | C1 | C9 | C14 | 60.5° | 60.0° |
| C1 | CA | C6 | H5 | 5.4° | 0.1° |
| CA | C1 | O | H1 | 180.0° | 60.0° |
| CA | C1 | C9 | H8 | 57.1° | 60.1° |
| CA | N | C3 | C8 | 179.0° | 179.9° |
| CA | N | C3 | CG2 | 0.8° | 0.2° |
| N | CA | C6 | C5 | 9.1° | 0.1° |
| CA | N | C3 | C7 | 178.2° | 179.9° |
| CA | N | C8 | N2 | 178.3° | 179.9° |
| N | CA | C1 | C9 | 76.8° | 65.0° |
| N | CA | C6 | H5 | 170.9° | 180.0° |
| CA | N | C8 | H7 | 1.7° | 0.1° |
| N | CA | C1 | H2 | 165.6° | 175.0° |
| N | C3 | CG2 | C7 | 178.6° | 179.7° |
| N | C3 | CG2 | C5 | 4.1° | 0.4° |
| N | C3 | C7 | N2 | 0.8° | 0.1° |
| C3 | N | C8 | N2 | 0.5° | 0.0° |
| C3 | N | CA | C6 | 5.9° | 0.0° |
| N | C3 | C7 | H6 | 179.2° | 180.0° |
| C3 | N | C8 | H7 | 179.5° | 180.0° |
| N | C3 | CG2 | H3 | 175.9° | 180.0° |
| C3 | CG2 | C5 | H3 | 180.0° | 179.5° |
| C3 | CG2 | C5 | C6 | 0.9° | 0.5° |
| CG2 | C3 | C7 | N2 | 179.6° | 179.7° |
| CG2 | C3 | N | C8 | 179.8° | 179.8° |
| C3 | CG2 | C5 | H4 | 179.1° | 179.8° |
| CG2 | C3 | C7 | H6 | 0.4° | 0.3° |
| CG2 | C5 | C6 | H4 | 180.0° | 179.7° |
| C5 | CG2 | C3 | C7 | 174.5° | 179.9° |
| CG2 | C5 | C6 | CA | 5.9° | 0.3° |
| CG2 | C5 | C6 | H5 | 174.1° | 179.8° |
| C5 | C6 | CA | H5 | 180.0° | 179.9° |
| C6 | C5 | CG2 | H3 | 179.1° | 180.0° |
| C3 | C7 | N2 | H6 | 180.0° | 180.0° |
| C3 | C7 | N2 | C8 | 0.5° | 0.1° |
| C7 | C3 | N | C8 | 0.8° | 0.0° |
| C7 | C3 | CG2 | H3 | 5.5° | 0.3° |
| C7 | N2 | C8 | N | 0.0° | 0.0° |
| C7 | N2 | C8 | H7 | 180.0° | 180.0° |
| N2 | C8 | N | H7 | 180.0° | 180.0° |
| C8 | N2 | C7 | H6 | 179.5° | 180.0° |
| C1 | C9 | CD1 | C14 | 124.8° | 120.0° |
| C1 | C9 | CD1 | H8 | 118.8° | 120.0° |
| C1 | C9 | CD1 | CG1 | 178.2° | NaN° |
| C1 | C9 | C14 | C13 | 174.0° | 180.0° |
| C9 | C1 | CA | C6 | 107.0° | 115.0° |
| C1 | C9 | C14 | H8 | 117.6° | 120.1° |
| C9 | C1 | O | H1 | 54.5° | 60.0° |
| C1 | C9 | CD1 | H10 | 61.4° | 60.1° |
| C1 | C9 | CD1 | H9 | 57.9° | 60.0° |
| C1 | C9 | C14 | H18 | 65.7° | 60.0° |
| C1 | C9 | C14 | H17 | 53.8° | 60.0° |
| C9 | CD1 | CG1 | H10 | 120.3° | 119.9° |
| C9 | CD1 | CG1 | H9 | 120.3° | 120.0° |
| C9 | CD1 | CG1 | C12 | 51.8° | 60.0° |
| CD1 | C9 | C14 | C13 | 60.0° | 60.0° |
| CD1 | C9 | C14 | H8 | 116.4° | 120.0° |
| CD1 | C9 | C1 | H2 | 66.3° | 60.1° |
| C9 | CD1 | H10 | H9 | 119.0° | 120.0° |
| C9 | CD1 | CG1 | H12 | 172.5° | 180.0° |
| C9 | CD1 | CG1 | H11 | 68.8° | 60.1° |
| CD1 | C9 | C14 | H18 | 60.2° | 60.0° |
| CD1 | C9 | C14 | H17 | 179.8° | 180.0° |
| CD1 | CG1 | C12 | H12 | 120.6° | 120.0° |
| CD1 | CG1 | C12 | H11 | 120.6° | 120.0° |
| CD1 | CG1 | C12 | C13 | 47.9° | 60.0° |
| CG1 | CD1 | C9 | C14 | 57.0° | 60.0° |
| CG1 | CD1 | C9 | H8 | 59.4° | 60.0° |
| CG1 | CD1 | H10 | H9 | 119.0° | 120.0° |
| CD1 | CG1 | H12 | H11 | 118.1° | 119.9° |
| CD1 | CG1 | C12 | H13 | 72.5° | 180.0° |
| CD1 | CG1 | C12 | H14 | 168.3° | 60.0° |
| CG1 | C12 | C13 | H13 | 120.4° | 120.0° |
| CG1 | C12 | C13 | H14 | 120.4° | 120.0° |
| CG1 | C12 | C13 | C14 | 50.4° | 60.1° |
| CG1 | C12 | C13 | H16 | 170.7° | 180.0° |
| CG1 | C12 | C13 | H15 | 70.0° | 60.0° |
| C12 | CG1 | CD1 | H10 | 68.5° | 60.0° |
| C12 | CG1 | CD1 | H9 | 172.2° | 180.0° |
| C12 | CG1 | H12 | H11 | 118.1° | 120.1° |
| CG1 | C12 | H13 | H14 | 118.8° | 120.0° |
| C12 | C13 | C14 | H16 | 120.4° | 120.0° |
| C12 | C13 | C14 | H15 | 120.4° | 120.0° |
| C12 | C13 | C14 | C9 | 57.3° | 60.0° |
| C12 | C13 | H16 | H15 | 118.9° | 120.0° |
| C13 | C12 | CG1 | H12 | 168.5° | 180.0° |
| C13 | C12 | CG1 | H11 | 72.7° | 60.0° |
| C13 | C12 | H13 | H14 | 118.7° | 120.0° |
| C12 | C13 | C14 | H18 | 62.9° | 60.0° |
| C12 | C13 | C14 | H17 | 177.5° | 180.0° |
| C13 | C14 | C9 | H18 | 120.2° | 120.0° |
| C13 | C14 | C9 | H17 | 120.2° | 119.9° |
| C14 | C13 | H16 | H15 | 118.8° | 120.1° |
| C13 | C14 | C9 | H8 | 56.4° | 59.9° |
| C14 | C13 | C12 | H13 | 70.0° | 180.0° |
| C14 | C13 | C12 | H14 | 170.8° | 60.0° |
| C13 | C14 | H18 | H17 | 119.3° | 120.0° |
| C6 | CA | N | C8 | 172.8° | 179.9° |
| CA | C6 | C5 | H4 | 174.1° | 180.0° |
| C6 | CA | C1 | H2 | 10.6° | 4.9° |
| C9 | C14 | C13 | H16 | 177.7° | 180.0° |
| C9 | C14 | C13 | H15 | 63.1° | 60.0° |
| C14 | C9 | C1 | H2 | 57.3° | 60.0° |
| C14 | C9 | CD1 | H10 | 63.3° | 60.0° |
| C14 | C9 | CD1 | H9 | 177.3° | 180.0° |
| C9 | C14 | H18 | H17 | 119.3° | 120.0° |
| H4 | C5 | C6 | H5 | 5.9° | 0.1° |
| H4 | C5 | CG2 | H3 | 0.9° | 0.3° |
| H16 | C13 | C12 | H13 | 50.4° | 60.0° |
| H16 | C13 | C12 | H14 | 68.8° | 60.0° |
| H16 | C13 | C14 | H18 | 57.4° | 60.0° |
| H16 | C13 | C14 | H17 | 62.1° | 60.0° |
| H15 | C13 | C12 | H13 | 169.6° | 60.0° |
| H15 | C13 | C12 | H14 | 50.4° | 180.0° |
| H15 | C13 | C14 | H18 | 176.7° | 180.0° |
| H15 | C13 | C14 | H17 | 57.1° | 60.0° |
| H1 | O | C1 | H2 | 63.0° | 180.0° |
| H2 | C1 | C9 | H8 | 174.9° | 180.0° |
| H8 | C9 | CD1 | H10 | 179.7° | 180.0° |
| H8 | C9 | CD1 | H9 | 60.9° | 60.0° |
| H8 | C9 | C14 | H18 | 176.6° | 179.9° |
| H8 | C9 | C14 | H17 | 63.8° | 60.0° |
| H10 | CD1 | CG1 | H12 | 52.1° | 60.1° |
| H10 | CD1 | CG1 | H11 | 170.9° | 180.0° |
| H9 | CD1 | CG1 | H12 | 67.2° | 60.0° |
| H9 | CD1 | CG1 | H11 | 51.6° | 60.0° |
| H12 | CG1 | C12 | H13 | 48.2° | 60.0° |
| H12 | CG1 | C12 | H14 | 71.1° | 60.0° |
| H11 | CG1 | C12 | H13 | 167.0° | 60.0° |
| H11 | CG1 | C12 | H14 | 47.7° | 180.0° |
