3Q7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | AS | sing | 1.99Å | 1.96Å | |
| O2 | C | doub | 1.22Å | 1.25Å | |
| C | O1 | sing | 1.22Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | AS | sing | 1.99Å | 1.94Å | |
| AS | C3 | sing | 1.99Å | 1.95Å | |
| AS | C1 | sing | 1.99Å | 1.94Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| CA | H5 | sing | 1.09Å | 1.10Å | |
| CA | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | AS | CA | 109.0° | 109.5° |
| C2 | AS | C3 | 115.9° | 109.5° |
| C2 | AS | C1 | 104.6° | 109.5° |
| AS | C2 | H1 | 109.5° | 109.5° |
| AS | C2 | H2 | 109.4° | 109.5° |
| AS | C2 | H3 | 109.5° | 109.5° |
| O2 | C | O1 | 122.9° | 120.0° |
| O2 | C | CA | 120.1° | 120.0° |
| O1 | C | CA | 116.7° | 119.9° |
| C | CA | AS | 113.9° | 109.5° |
| C | CA | H5 | 108.3° | 109.5° |
| C | CA | H6 | 108.3° | 109.5° |
| CA | AS | C3 | 114.3° | 109.5° |
| CA | AS | C1 | 103.6° | 109.5° |
| AS | CA | H5 | 108.4° | 109.5° |
| AS | CA | H6 | 108.3° | 109.5° |
| C3 | AS | C1 | 108.3° | 109.5° |
| AS | C3 | H7 | 109.5° | 109.5° |
| AS | C3 | H8 | 109.5° | 109.4° |
| AS | C3 | H9 | 109.4° | 109.5° |
| AS | C1 | H10 | 109.5° | 109.4° |
| AS | C1 | H11 | 109.5° | 109.5° |
| AS | C1 | H12 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.4° | 109.4° |
| H1 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| H5 | CA | H6 | 109.5° | 109.4° |
| H7 | C3 | H8 | 109.4° | 109.4° |
| H7 | C3 | H9 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | AS | CA | C | 51.7° | 60.0° |
| C2 | AS | CA | C3 | 131.4° | 120.0° |
| C2 | AS | CA | C1 | 110.9° | 120.0° |
| C2 | AS | C3 | C1 | 117.1° | 120.0° |
| AS | C2 | H1 | H2 | 120.0° | 120.0° |
| AS | C2 | H1 | H3 | 120.0° | 120.0° |
| AS | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | AS | CA | H5 | 172.3° | 60.0° |
| C2 | AS | CA | H6 | 68.9° | 180.0° |
| C2 | AS | C3 | H7 | 180.0° | 60.0° |
| C2 | AS | C3 | H8 | 60.0° | 180.0° |
| C2 | AS | C3 | H9 | 60.0° | 60.0° |
| C2 | AS | C1 | H10 | 180.0° | 60.0° |
| C2 | AS | C1 | H11 | 60.0° | 180.0° |
| C2 | AS | C1 | H12 | 60.0° | 60.0° |
| O2 | C | O1 | CA | 174.4° | 180.0° |
| O2 | C | CA | AS | 14.1° | 150.0° |
| O2 | C | CA | H5 | 106.6° | 89.9° |
| O2 | C | CA | H6 | 134.7° | 30.0° |
| O1 | C | CA | AS | 171.3° | 30.0° |
| O1 | C | CA | H5 | 68.0° | 90.1° |
| O1 | C | CA | H6 | 50.7° | 150.0° |
| C | CA | AS | H5 | 120.7° | 120.0° |
| C | CA | AS | H6 | 120.6° | 120.0° |
| C | CA | AS | C3 | 79.7° | 60.0° |
| C | CA | AS | C1 | 162.6° | 180.0° |
| C | CA | H5 | H6 | 118.0° | 119.9° |
| CA | AS | C3 | C1 | 114.9° | 120.0° |
| CA | AS | C2 | H1 | 180.0° | 60.0° |
| CA | AS | C2 | H2 | 60.0° | 180.0° |
| CA | AS | C2 | H3 | 60.0° | 60.0° |
| AS | CA | H5 | H6 | 118.0° | 120.0° |
| CA | AS | C3 | H7 | 52.0° | 180.0° |
| CA | AS | C3 | H8 | 172.0° | 60.1° |
| CA | AS | C3 | H9 | 68.0° | 60.0° |
| CA | AS | C1 | H10 | 65.9° | 60.0° |
| CA | AS | C1 | H11 | 54.1° | 60.0° |
| CA | AS | C1 | H12 | 174.1° | 180.0° |
| C3 | AS | C2 | H1 | 49.4° | 180.0° |
| C3 | AS | C2 | H2 | 169.4° | 60.0° |
| C3 | AS | C2 | H3 | 70.6° | 60.0° |
| C3 | AS | CA | H5 | 40.9° | 180.0° |
| C3 | AS | CA | H6 | 159.6° | 60.0° |
| AS | C3 | H7 | H8 | 120.0° | 119.9° |
| AS | C3 | H7 | H9 | 120.0° | 120.0° |
| AS | C3 | H8 | H9 | 120.0° | 120.0° |
| C3 | AS | C1 | H10 | 55.9° | 180.0° |
| C3 | AS | C1 | H11 | 175.9° | 60.0° |
| C3 | AS | C1 | H12 | 64.2° | 60.0° |
| C1 | AS | C2 | H1 | 69.7° | 60.0° |
| C1 | AS | C2 | H2 | 50.2° | 60.0° |
| C1 | AS | C2 | H3 | 170.3° | 180.0° |
| C1 | AS | CA | H5 | 76.7° | 60.0° |
| C1 | AS | CA | H6 | 42.0° | 60.0° |
| C1 | AS | C3 | H7 | 62.9° | 60.0° |
| C1 | AS | C3 | H8 | 57.1° | 60.0° |
| C1 | AS | C3 | H9 | 177.1° | 180.0° |
| AS | C1 | H10 | H11 | 120.0° | 120.0° |
| AS | C1 | H10 | H12 | 120.0° | 120.0° |
| AS | C1 | H11 | H12 | 120.0° | 120.0° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H7 | C3 | H8 | H9 | 120.0° | 120.0° |
| H10 | C1 | H11 | H12 | 120.0° | 120.1° |
