Q1Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C05 | doub | 1.21Å | 1.26Å | |
| O01 | C01 | doub | 1.21Å | 1.23Å | |
| C05 | C01 | sing | 1.49Å | 1.40Å | |
| C05 | O03 | sing | 1.35Å | 1.34Å | |
| C01 | C02 | sing | 1.51Å | 1.59Å | |
| C02 | C04 | sing | 1.53Å | 1.58Å | |
| C02 | C03 | sing | 1.53Å | 1.64Å | |
| C03 | C06 | sing | 1.51Å | 1.51Å | |
| C06 | O05 | doub | 1.21Å | 1.33Å | |
| C06 | O04 | sing | 1.34Å | 1.20Å | |
| C02 | H01 | sing | 1.09Å | 1.10Å | |
| C03 | H02 | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H05 | sing | 1.09Å | 1.10Å | |
| C04 | H06 | sing | 1.09Å | 1.10Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| O04 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C05 | C01 | 120.4° | 120.0° |
| O02 | C05 | O03 | 111.2° | 120.0° |
| O01 | C01 | C05 | 116.9° | 120.0° |
| O01 | C01 | C02 | 122.9° | 120.0° |
| C01 | C05 | O03 | 128.4° | 120.0° |
| C05 | C01 | C02 | 120.0° | 120.0° |
| C05 | O03 | H1 | 109.5° | 117.0° |
| C01 | C02 | C04 | 108.5° | 109.5° |
| C01 | C02 | C03 | 112.5° | 109.4° |
| C01 | C02 | H01 | 106.5° | 109.4° |
| C04 | C02 | C03 | 116.2° | 109.5° |
| C04 | C02 | H01 | 106.5° | 109.5° |
| C02 | C04 | H04 | 109.5° | 109.4° |
| C02 | C04 | H05 | 109.5° | 109.4° |
| C02 | C04 | H06 | 109.5° | 109.5° |
| C02 | C03 | C06 | 111.3° | 109.4° |
| C03 | C02 | H01 | 105.9° | 109.5° |
| C02 | C03 | H02 | 109.0° | 109.5° |
| C02 | C03 | H03 | 109.0° | 109.5° |
| C03 | C06 | O05 | 111.8° | 120.1° |
| C03 | C06 | O04 | 116.2° | 120.0° |
| C06 | C03 | H02 | 109.0° | 109.5° |
| C06 | C03 | H03 | 109.0° | 109.5° |
| O05 | C06 | O04 | 131.7° | 120.0° |
| C06 | O04 | H2 | 109.5° | 117.0° |
| H02 | C03 | H03 | 109.5° | 109.5° |
| H04 | C04 | H05 | 109.5° | 109.4° |
| H04 | C04 | H06 | 109.5° | 109.5° |
| H05 | C04 | H06 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C05 | C01 | O01 | 6.1° | 179.7° |
| O02 | C05 | C01 | O03 | 179.5° | 180.0° |
| O02 | C05 | C01 | C02 | 178.6° | 0.0° |
| O02 | C05 | O03 | H1 | 0.0° | 0.0° |
| O01 | C01 | C05 | C02 | 175.3° | 179.7° |
| O01 | C01 | C05 | O03 | 173.4° | 0.3° |
| O01 | C01 | C02 | C04 | 5.9° | 94.7° |
| O01 | C01 | C02 | C03 | 135.9° | 25.3° |
| O01 | C01 | C02 | H01 | 108.5° | 145.3° |
| C05 | C01 | C02 | C04 | 179.2° | 85.0° |
| C05 | C01 | C02 | C03 | 49.1° | 155.0° |
| C05 | C01 | C02 | H01 | 66.5° | 35.1° |
| C01 | C05 | O03 | H1 | 179.5° | 180.0° |
| O03 | C05 | C01 | C02 | 1.9° | 180.0° |
| C01 | C02 | C04 | C03 | 127.9° | 120.0° |
| C01 | C02 | C04 | H01 | 114.3° | 120.0° |
| C01 | C02 | C03 | H01 | 115.9° | 119.9° |
| C01 | C02 | C03 | C06 | 172.3° | 175.0° |
| C01 | C02 | C03 | H02 | 52.0° | 55.0° |
| C01 | C02 | C03 | H03 | 67.4° | 65.1° |
| C01 | C02 | C04 | H04 | 180.0° | 60.0° |
| C01 | C02 | C04 | H05 | 60.0° | 180.0° |
| C01 | C02 | C04 | H06 | 60.0° | 60.0° |
| C04 | C02 | C03 | H01 | 118.1° | 120.1° |
| C04 | C02 | C03 | C06 | 61.7° | 65.0° |
| C04 | C02 | C03 | H02 | 178.0° | 175.0° |
| C04 | C02 | C03 | H03 | 58.6° | 54.9° |
| C02 | C04 | H04 | H05 | 120.0° | 119.9° |
| C02 | C04 | H04 | H06 | 120.0° | 120.0° |
| C02 | C04 | H05 | H06 | 120.0° | 120.0° |
| C02 | C03 | C06 | H02 | 120.2° | 120.0° |
| C02 | C03 | C06 | H03 | 120.3° | 119.9° |
| C02 | C03 | C06 | O05 | 157.7° | 0.1° |
| C02 | C03 | C06 | O04 | 28.0° | 180.0° |
| C02 | C03 | H02 | H03 | 119.1° | 120.0° |
| C03 | C02 | C04 | H04 | 52.1° | 180.0° |
| C03 | C02 | C04 | H05 | 68.0° | 60.1° |
| C03 | C02 | C04 | H06 | 172.1° | 60.0° |
| C03 | C06 | O05 | O04 | 173.1° | 179.9° |
| C06 | C03 | C02 | H01 | 56.4° | 55.1° |
| C06 | C03 | H02 | H03 | 119.2° | 120.0° |
| C03 | C06 | O04 | H2 | 172.8° | 179.9° |
| O05 | C06 | C03 | H02 | 82.0° | 119.9° |
| O05 | C06 | C03 | H03 | 37.5° | 120.0° |
| O05 | C06 | O04 | H2 | 0.0° | 0.0° |
| O04 | C06 | C03 | H02 | 92.2° | 60.0° |
| O04 | C06 | C03 | H03 | 148.3° | 60.0° |
| H01 | C02 | C03 | H02 | 63.9° | 65.0° |
| H01 | C02 | C03 | H03 | 176.6° | 175.0° |
| H01 | C02 | C04 | H04 | 65.7° | 60.0° |
| H01 | C02 | C04 | H05 | 174.3° | 59.9° |
| H01 | C02 | C04 | H06 | 54.3° | 180.0° |
| H04 | C04 | H05 | H06 | 120.0° | 120.1° |
