3ZS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C05 | sing | 1.54Å | 1.54Å | |
| C01 | C02 | sing | 1.55Å | 1.46Å | |
| C05 | O06 | sing | 1.47Å | 1.46Å | |
| C05 | C04 | sing | 1.54Å | 1.47Å | |
| O06 | C04 | sing | 1.43Å | 1.46Å | |
| C02 | C03 | sing | 1.55Å | 1.45Å | |
| C04 | C03 | sing | 1.54Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C01 | C02 | 106.9° | 104.2° |
| C01 | C05 | O06 | 118.8° | 118.3° |
| C01 | C05 | C04 | 105.7° | 106.6° |
| C05 | C01 | H1 | 110.1° | 110.5° |
| C05 | C01 | H2 | 110.1° | 110.5° |
| C01 | C05 | H8 | 118.1° | 117.6° |
| C01 | C02 | C03 | 104.4° | 102.8° |
| C02 | C01 | H1 | 110.1° | 110.5° |
| C02 | C01 | H2 | 110.1° | 110.5° |
| C01 | C02 | H3 | 110.7° | 110.8° |
| C01 | C02 | H4 | 110.7° | 110.8° |
| O06 | C05 | C04 | 59.7° | 56.7° |
| C05 | O06 | C04 | 60.3° | 64.1° |
| O06 | C05 | H8 | 119.8° | 119.7° |
| C05 | C04 | O06 | 60.0° | 59.2° |
| C05 | C04 | C03 | 105.8° | 106.6° |
| C05 | C04 | H7 | 119.6° | 121.7° |
| C04 | C05 | H8 | 119.7° | 123.0° |
| O06 | C04 | C03 | 118.4° | 118.1° |
| O06 | C04 | H7 | 119.8° | 119.5° |
| C02 | C03 | C04 | 107.2° | 104.2° |
| C03 | C02 | H3 | 110.7° | 110.7° |
| C03 | C02 | H4 | 110.7° | 110.7° |
| C02 | C03 | H5 | 110.0° | 110.4° |
| C02 | C03 | H6 | 110.0° | 110.5° |
| C04 | C03 | H5 | 110.0° | 110.5° |
| C04 | C03 | H6 | 110.0° | 110.7° |
| C03 | C04 | H7 | 118.2° | 117.7° |
| H1 | C01 | H2 | 109.5° | 110.5° |
| H3 | C02 | H4 | 109.5° | 110.8° |
| H5 | C03 | H6 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C01 | C02 | H1 | 119.6° | 118.7° |
| C05 | C01 | C02 | H2 | 119.6° | 118.7° |
| C01 | C05 | O06 | C04 | 92.2° | 92.0° |
| C01 | C05 | O06 | H8 | 158.8° | 156.0° |
| C01 | C05 | C04 | H8 | 136.3° | 140.4° |
| C05 | C01 | C02 | C03 | 30.5° | 37.9° |
| C01 | C05 | C04 | C03 | 0.5° | 0.0° |
| C05 | C01 | H1 | H2 | 121.2° | 122.6° |
| C05 | C01 | C02 | H3 | 88.7° | 80.4° |
| C05 | C01 | C02 | H4 | 149.7° | 156.2° |
| C01 | C05 | C04 | H7 | 136.1° | 138.9° |
| C02 | C01 | C05 | O06 | 82.3° | 84.2° |
| C02 | C01 | C05 | C04 | 18.5° | 23.6° |
| C01 | C02 | C03 | H3 | 119.2° | 118.3° |
| C01 | C02 | C03 | H4 | 119.2° | 118.3° |
| C01 | C02 | C03 | C04 | 30.9° | 38.0° |
| C02 | C01 | H1 | H2 | 121.2° | 122.6° |
| C01 | C02 | H3 | H4 | 122.3° | 123.4° |
| C01 | C02 | C03 | H5 | 150.6° | 156.6° |
| C01 | C02 | C03 | H6 | 88.7° | 80.9° |
| C02 | C01 | C05 | H8 | 118.6° | 119.3° |
| O06 | C05 | C04 | H8 | 109.2° | 106.3° |
| O06 | C05 | C04 | C03 | 114.0° | 113.3° |
| O06 | C05 | C01 | H1 | 158.2° | 34.5° |
| O06 | C05 | C01 | H2 | 37.3° | 157.1° |
| O06 | C05 | C04 | H7 | 109.4° | 107.8° |
| C05 | C04 | C03 | C02 | 19.4° | 23.6° |
| C05 | C04 | C03 | H7 | 137.3° | 140.9° |
| C04 | C05 | C01 | H1 | 138.1° | 95.1° |
| C04 | C05 | C01 | H2 | 101.0° | 142.3° |
| C05 | C04 | C03 | H5 | 139.1° | 142.3° |
| C05 | C04 | C03 | H6 | 100.2° | 95.2° |
| O06 | C04 | C03 | C02 | 83.4° | 87.1° |
| O06 | C04 | C03 | H7 | 158.7° | 155.6° |
| O06 | C04 | C03 | H5 | 156.9° | 154.2° |
| O06 | C04 | C03 | H6 | 36.2° | 31.7° |
| C02 | C03 | C04 | H5 | 119.6° | 118.6° |
| C02 | C03 | C04 | H6 | 119.7° | 118.8° |
| C03 | C02 | C01 | H1 | 150.1° | 80.7° |
| C03 | C02 | C01 | H2 | 89.1° | 156.6° |
| C03 | C02 | H3 | H4 | 122.3° | 123.3° |
| C02 | C03 | H5 | H6 | 121.1° | 122.5° |
| C02 | C03 | C04 | H7 | 117.9° | 117.3° |
| C04 | C03 | C02 | H3 | 88.3° | 80.4° |
| C04 | C03 | C02 | H4 | 150.1° | 156.3° |
| C04 | C03 | H5 | H6 | 121.0° | 122.7° |
| C03 | C04 | C05 | H8 | 136.8° | 140.5° |
| H1 | C01 | C02 | H3 | 30.9° | 160.9° |
| H1 | C01 | C02 | H4 | 90.7° | 37.6° |
| H1 | C01 | C05 | H8 | 1.0° | 122.0° |
| H2 | C01 | C02 | H3 | 151.7° | 38.3° |
| H2 | C01 | C02 | H4 | 30.1° | 85.1° |
| H2 | C01 | C05 | H8 | 121.8° | 0.6° |
| H3 | C02 | C03 | H5 | 31.4° | 38.3° |
| H3 | C02 | C03 | H6 | 152.1° | 160.7° |
| H4 | C02 | C03 | H5 | 90.3° | 85.1° |
| H4 | C02 | C03 | H6 | 30.4° | 37.4° |
| H5 | C03 | C04 | H7 | 1.7° | 1.4° |
| H6 | C03 | C04 | H7 | 122.4° | 124.0° |
| H7 | C04 | C05 | H8 | 0.2° | 1.5° |
