6AH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| O | C1 | sing | 1.43Å | 1.37Å | |
| C6 | C5 | sing | 1.53Å | 1.49Å | |
| C6 | N | sing | 1.47Å | 1.43Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 110.2° | 109.5° |
| C2 | C3 | C4 | 109.8° | 109.5° |
| C3 | C2 | H2 | 109.3° | 109.4° |
| C3 | C2 | H3 | 109.3° | 109.4° |
| C2 | C3 | H4 | 109.4° | 109.5° |
| C2 | C3 | H5 | 109.4° | 109.5° |
| C2 | C1 | O | 109.2° | 109.5° |
| C1 | C2 | H2 | 109.3° | 109.5° |
| C1 | C2 | H3 | 109.3° | 109.5° |
| C2 | C1 | H16 | 109.6° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C3 | C4 | C5 | 110.1° | 109.5° |
| C4 | C3 | H4 | 109.4° | 109.5° |
| C4 | C3 | H5 | 109.4° | 109.5° |
| C3 | C4 | H6 | 109.3° | 109.5° |
| C3 | C4 | H7 | 109.3° | 109.5° |
| C4 | C5 | C6 | 110.0° | 109.5° |
| C5 | C4 | H6 | 109.3° | 109.5° |
| C5 | C4 | H7 | 109.3° | 109.5° |
| C4 | C5 | H8 | 109.3° | 109.5° |
| C4 | C5 | H9 | 109.3° | 109.5° |
| C1 | O | H1 | 109.5° | 114.0° |
| O | C1 | H16 | 109.5° | 109.5° |
| O | C1 | H14 | 109.6° | 109.4° |
| C5 | C6 | N | 109.7° | 109.5° |
| C6 | C5 | H8 | 109.4° | 109.4° |
| C6 | C5 | H9 | 109.4° | 109.5° |
| C5 | C6 | H10 | 109.4° | 109.5° |
| C5 | C6 | H11 | 109.4° | 109.5° |
| N | C6 | H10 | 109.4° | 109.4° |
| N | C6 | H11 | 109.4° | 109.4° |
| C6 | N | H12 | 109.5° | 111.0° |
| C6 | N | H13 | 109.4° | 111.0° |
| H2 | C2 | H3 | 109.4° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.4° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H12 | N | H13 | 109.5° | 111.0° |
| H16 | C1 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 120.1° | 120.0° |
| C3 | C2 | C1 | H3 | 120.1° | 120.0° |
| C2 | C3 | C4 | H4 | 120.0° | 120.0° |
| C2 | C3 | C4 | H5 | 120.1° | 120.0° |
| C2 | C3 | C4 | C5 | 152.2° | 180.0° |
| C3 | C2 | C1 | O | 139.5° | 180.0° |
| C3 | C2 | H2 | H3 | 119.7° | 119.9° |
| C2 | C3 | H4 | H5 | 119.9° | 120.0° |
| C2 | C3 | C4 | H6 | 32.1° | 60.0° |
| C2 | C3 | C4 | H7 | 87.7° | 60.0° |
| C3 | C2 | C1 | H16 | 19.6° | 60.0° |
| C3 | C2 | C1 | H14 | 100.5° | 60.0° |
| C1 | C2 | C3 | C4 | 141.0° | 180.0° |
| C2 | C1 | O | H16 | 119.9° | 120.0° |
| C2 | C1 | O | H14 | 120.0° | 120.0° |
| C2 | C1 | O | H1 | 180.0° | 180.0° |
| C1 | C2 | H2 | H3 | 119.6° | 120.1° |
| C1 | C2 | C3 | H4 | 98.9° | 60.0° |
| C1 | C2 | C3 | H5 | 21.0° | 60.0° |
| C2 | C1 | H16 | H14 | 120.1° | 120.0° |
| C3 | C4 | C5 | H6 | 120.1° | 120.0° |
| C3 | C4 | C5 | H7 | 120.1° | 120.0° |
| C3 | C4 | C5 | C6 | 167.5° | 180.0° |
| C4 | C3 | C2 | H2 | 98.8° | 60.0° |
| C4 | C3 | C2 | H3 | 20.9° | 60.0° |
| C4 | C3 | H4 | H5 | 119.8° | 120.0° |
| C3 | C4 | H6 | H7 | 119.7° | 120.0° |
| C3 | C4 | C5 | H8 | 72.4° | 60.0° |
| C3 | C4 | C5 | H9 | 47.4° | 60.0° |
| C4 | C5 | C6 | H8 | 120.1° | 120.0° |
| C4 | C5 | C6 | H9 | 120.1° | 120.0° |
| C4 | C5 | C6 | N | 154.2° | 180.0° |
| C5 | C4 | C3 | H4 | 87.7° | 60.0° |
| C5 | C4 | C3 | H5 | 32.1° | 60.0° |
| C5 | C4 | H6 | H7 | 119.7° | 120.0° |
| C4 | C5 | H8 | H9 | 119.7° | 120.0° |
| C4 | C5 | C6 | H10 | 34.1° | 60.0° |
| C4 | C5 | C6 | H11 | 85.8° | 60.0° |
| O | C1 | C2 | H2 | 100.3° | 60.0° |
| O | C1 | C2 | H3 | 19.4° | 60.0° |
| O | C1 | H16 | H14 | 120.2° | 120.0° |
| C5 | C6 | N | H10 | 120.0° | 120.0° |
| C5 | C6 | N | H11 | 120.0° | 120.1° |
| C6 | C5 | C4 | H6 | 47.4° | 60.1° |
| C6 | C5 | C4 | H7 | 72.4° | 60.0° |
| C6 | C5 | H8 | H9 | 119.8° | 120.0° |
| C5 | C6 | H10 | H11 | 119.9° | 120.1° |
| C5 | C6 | N | H12 | 180.0° | 56.0° |
| C5 | C6 | N | H13 | 60.0° | 179.9° |
| N | C6 | C5 | H8 | 85.7° | 60.0° |
| N | C6 | C5 | H9 | 34.1° | 60.0° |
| N | C6 | H10 | H11 | 119.9° | 119.9° |
| C6 | N | H12 | H13 | 120.0° | 124.0° |
| H1 | O | C1 | H16 | 60.0° | 59.9° |
| H1 | O | C1 | H14 | 60.1° | 60.1° |
| H2 | C2 | C3 | H4 | 21.2° | 180.0° |
| H2 | C2 | C3 | H5 | 141.1° | 60.0° |
| H2 | C2 | C1 | H16 | 139.7° | 179.9° |
| H2 | C2 | C1 | H14 | 19.6° | 60.0° |
| H3 | C2 | C3 | H4 | 141.0° | 60.0° |
| H3 | C2 | C3 | H5 | 99.1° | 180.0° |
| H3 | C2 | C1 | H16 | 100.5° | 60.0° |
| H3 | C2 | C1 | H14 | 139.4° | 180.0° |
| H4 | C3 | C4 | H6 | 152.2° | 180.0° |
| H4 | C3 | C4 | H7 | 32.4° | 60.0° |
| H5 | C3 | C4 | H6 | 88.0° | 60.0° |
| H5 | C3 | C4 | H7 | 152.2° | 180.0° |
| H6 | C4 | C5 | H8 | 167.5° | 180.0° |
| H6 | C4 | C5 | H9 | 72.7° | 60.0° |
| H7 | C4 | C5 | H8 | 47.7° | 60.0° |
| H7 | C4 | C5 | H9 | 167.5° | 180.0° |
| H8 | C5 | C6 | H10 | 154.2° | 180.0° |
| H8 | C5 | C6 | H11 | 34.3° | 60.0° |
| H9 | C5 | C6 | H10 | 85.9° | 60.0° |
| H9 | C5 | C6 | H11 | 154.1° | 180.0° |
| H10 | C6 | N | H12 | 59.9° | 64.0° |
| H10 | C6 | N | H13 | 180.0° | 59.9° |
| H11 | C6 | N | H12 | 60.0° | 176.1° |
| H11 | C6 | N | H13 | 60.0° | 60.0° |
