U9D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.53Å | 1.61Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | H101 | sing | 1.09Å | 1.10Å | |
| C4 | H102 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| O5 | C1 | sing | 1.43Å | 1.49Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H131 | sing | 1.09Å | 1.10Å | |
| C6 | H132 | sing | 1.09Å | 1.10Å | |
| O6 | C6M | sing | 1.43Å | 54.35Å | |
| C6M | H151 | sing | 1.09Å | 0.00Å | |
| C6M | H152 | sing | 1.09Å | 0.00Å | |
| C6M | H153 | sing | 1.09Å | 0.00Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C3 | C2 | sing | 1.53Å | 1.59Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| O3 | C3M | sing | 1.43Å | 1.62Å | |
| C3M | H181 | sing | 1.09Å | 1.10Å | |
| C3M | H182 | sing | 1.09Å | 1.10Å | |
| C3M | H183 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | sing | 1.43Å | 1.38Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| O2 | C2M | sing | 1.43Å | 1.55Å | |
| C2M | H1B1 | sing | 1.09Å | 1.10Å | |
| C2M | H1B2 | sing | 1.09Å | 1.10Å | |
| C2M | H1B3 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | sing | 1.43Å | 1.53Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 108.6° | 109.2° |
| C5 | C4 | H101 | 109.7° | 109.5° |
| C5 | C4 | H102 | 109.7° | 109.5° |
| C4 | C5 | O5 | 110.4° | 109.4° |
| C4 | C5 | C6 | 111.0° | 109.5° |
| C4 | C5 | H11 | 107.9° | 109.5° |
| C3 | C4 | H101 | 109.7° | 109.5° |
| C3 | C4 | H102 | 109.7° | 109.5° |
| C4 | C3 | O3 | 109.4° | 109.6° |
| C4 | C3 | C2 | 109.3° | 109.1° |
| C4 | C3 | H16 | 108.3° | 109.6° |
| H101 | C4 | H102 | 109.5° | 109.6° |
| O5 | C5 | C6 | 109.5° | 109.5° |
| O5 | C5 | H11 | 109.4° | 109.4° |
| C5 | O5 | C1 | 113.9° | 114.1° |
| C6 | C5 | H11 | 108.6° | 109.5° |
| C5 | C6 | O6 | 107.1° | 109.5° |
| C5 | C6 | H131 | 110.1° | 109.5° |
| C5 | C6 | H132 | 110.1° | 109.5° |
| O5 | C1 | C2 | 110.0° | 109.4° |
| O5 | C1 | O1 | 139.7° | 109.5° |
| O5 | C1 | H1C | 91.4° | 109.4° |
| O6 | C6 | H131 | 110.1° | 109.5° |
| O6 | C6 | H132 | 110.0° | 109.5° |
| C6 | O6 | C6M | 36.4° | 114.0° |
| H131 | C6 | H132 | 109.5° | 109.5° |
| O6 | C6M | H151 | 90.0° | 109.5° |
| O6 | C6M | H152 | 90.0° | 109.5° |
| O6 | C6M | H153 | 90.0° | 109.5° |
| H151 | C6M | H152 | 90.0° | 109.5° |
| H151 | C6M | H153 | 90.0° | 109.4° |
| H152 | C6M | H153 | 90.0° | 109.4° |
| O3 | C3 | C2 | 112.0° | 109.5° |
| O3 | C3 | H16 | 110.1° | 109.5° |
| C3 | O3 | C3M | 116.2° | 114.0° |
| C2 | C3 | H16 | 107.6° | 109.6° |
| C3 | C2 | O2 | 111.8° | 109.6° |
| C3 | C2 | C1 | 110.5° | 109.1° |
| C3 | C2 | H19 | 107.2° | 109.5° |
| O3 | C3M | H181 | 109.5° | 109.5° |
| O3 | C3M | H182 | 109.5° | 109.5° |
| O3 | C3M | H183 | 109.5° | 109.5° |
| H181 | C3M | H182 | 109.5° | 109.5° |
| H181 | C3M | H183 | 109.5° | 109.4° |
| H182 | C3M | H183 | 109.5° | 109.5° |
| O2 | C2 | C1 | 109.7° | 109.5° |
| O2 | C2 | H19 | 109.9° | 109.5° |
| C2 | O2 | C2M | 119.8° | 114.0° |
| C1 | C2 | H19 | 107.6° | 109.6° |
| C2 | C1 | O1 | 110.1° | 109.5° |
| C2 | C1 | H1C | 91.3° | 109.5° |
| O2 | C2M | H1B1 | 109.5° | 109.4° |
| O2 | C2M | H1B2 | 109.5° | 109.4° |
| O2 | C2M | H1B3 | 109.5° | 109.5° |
| H1B1 | C2M | H1B2 | 109.4° | 109.5° |
| H1B1 | C2M | H1B3 | 109.5° | 109.5° |
| H1B2 | C2M | H1B3 | 109.4° | 109.5° |
| O1 | C1 | H1C | 91.3° | 109.5° |
| C1 | O1 | H2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H101 | 119.8° | 119.9° |
| C5 | C4 | C3 | H102 | 119.8° | 119.9° |
| C5 | C4 | H101 | H102 | 120.4° | 120.1° |
| C4 | C5 | O5 | C6 | 122.5° | 120.0° |
| C4 | C5 | O5 | H11 | 118.6° | 119.9° |
| C4 | C5 | C6 | H11 | 118.5° | 120.1° |
| C4 | C5 | O5 | C1 | 58.1° | 61.2° |
| C4 | C5 | C6 | O6 | 172.4° | 175.0° |
| C4 | C5 | C6 | H131 | 52.7° | 55.0° |
| C4 | C5 | C6 | H132 | 68.0° | 65.0° |
| C5 | C4 | C3 | O3 | 179.7° | 176.9° |
| C5 | C4 | C3 | C2 | 57.3° | 57.0° |
| C5 | C4 | C3 | H16 | 59.7° | 62.9° |
| C3 | C4 | H101 | H102 | 120.4° | 120.2° |
| C3 | C4 | C5 | O5 | 57.5° | 57.6° |
| C3 | C4 | C5 | C6 | 179.1° | 177.6° |
| C3 | C4 | C5 | H11 | 62.0° | 62.3° |
| C4 | C3 | O3 | C2 | 121.4° | 119.6° |
| C4 | C3 | O3 | H16 | 118.9° | 120.2° |
| C4 | C3 | C2 | H16 | 117.4° | 119.9° |
| C4 | C3 | O3 | C3M | 138.5° | 90.0° |
| C4 | C3 | C2 | O2 | 179.2° | 176.9° |
| C4 | C3 | C2 | C1 | 58.3° | 57.0° |
| C4 | C3 | C2 | H19 | 58.7° | 63.0° |
| H101 | C4 | C5 | O5 | 62.4° | 62.3° |
| H101 | C4 | C5 | C6 | 59.2° | 57.7° |
| H101 | C4 | C5 | H11 | 178.1° | 177.7° |
| H101 | C4 | C3 | O3 | 60.5° | 56.9° |
| H101 | C4 | C3 | C2 | 62.5° | 62.9° |
| H101 | C4 | C3 | H16 | 179.5° | 177.1° |
| H102 | C4 | C5 | O5 | 177.3° | 177.5° |
| H102 | C4 | C5 | C6 | 61.1° | 62.5° |
| H102 | C4 | C5 | H11 | 57.8° | 57.6° |
| H102 | C4 | C3 | O3 | 59.8° | 63.3° |
| H102 | C4 | C3 | C2 | 177.2° | 176.8° |
| H102 | C4 | C3 | H16 | 60.2° | 56.9° |
| O5 | C5 | C6 | H11 | 119.4° | 120.0° |
| O5 | C5 | C6 | O6 | 65.5° | 65.1° |
| O5 | C5 | C6 | H131 | 174.9° | 174.9° |
| O5 | C5 | C6 | H132 | 54.1° | 54.9° |
| C5 | O5 | C1 | C2 | 57.6° | 61.2° |
| C5 | O5 | C1 | O1 | 116.8° | 58.8° |
| C5 | O5 | C1 | H1C | 149.5° | 178.8° |
| C6 | C5 | O5 | C1 | 179.4° | 178.8° |
| C5 | C6 | O6 | H131 | 119.6° | 120.0° |
| C5 | C6 | O6 | H132 | 119.6° | 120.0° |
| C5 | C6 | H131 | H132 | 121.1° | 120.0° |
| C5 | C6 | O6 | C6M | 11.2° | 180.0° |
| H11 | C5 | O5 | C1 | 60.5° | 58.8° |
| H11 | C5 | C6 | O6 | 53.9° | 54.9° |
| H11 | C5 | C6 | H131 | 65.7° | 65.1° |
| H11 | C5 | C6 | H132 | 173.5° | 174.9° |
| O5 | C1 | C2 | C3 | 56.2° | 57.6° |
| O5 | C1 | C2 | O2 | 179.9° | 177.6° |
| O5 | C1 | C2 | O1 | 176.1° | 120.0° |
| O5 | C1 | C2 | H1C | 92.0° | 119.9° |
| O5 | C1 | C2 | H19 | 60.6° | 62.3° |
| O5 | C1 | O1 | H1C | 93.7° | 120.0° |
| O5 | C1 | O1 | H2 | 180.0° | 60.0° |
| O6 | C6 | H131 | H132 | 121.1° | 120.0° |
| C6 | O6 | C6M | H151 | 90.0° | 60.0° |
| C6 | O6 | C6M | H152 | 90.0° | 180.0° |
| C6 | O6 | C6M | H153 | 90.0° | 60.0° |
| H131 | C6 | O6 | C6M | 108.5° | 60.0° |
| H132 | C6 | O6 | C6M | 130.8° | 60.0° |
| O6 | C6M | H151 | H152 | 90.0° | 120.1° |
| O6 | C6M | H151 | H153 | 90.0° | 120.0° |
| O6 | C6M | H152 | H153 | 90.0° | 120.0° |
| H151 | C6M | H152 | H153 | 90.0° | 119.9° |
| O3 | C3 | C2 | H16 | 121.1° | 120.2° |
| C3 | O3 | C3M | H181 | 180.0° | 60.0° |
| C3 | O3 | C3M | H182 | 60.0° | 60.0° |
| C3 | O3 | C3M | H183 | 60.0° | 180.0° |
| O3 | C3 | C2 | O2 | 57.8° | 63.2° |
| O3 | C3 | C2 | C1 | 179.7° | 176.8° |
| O3 | C3 | C2 | H19 | 62.7° | 56.9° |
| C2 | C3 | O3 | C3M | 100.1° | 150.4° |
| C3 | C2 | O2 | C1 | 123.0° | 119.7° |
| C3 | C2 | O2 | H19 | 118.9° | 120.1° |
| C3 | C2 | C1 | H19 | 116.7° | 119.9° |
| C3 | C2 | O2 | C2M | 102.9° | 150.0° |
| C3 | C2 | C1 | O1 | 120.0° | 62.4° |
| C3 | C2 | C1 | H1C | 148.1° | 177.6° |
| H16 | C3 | O3 | C3M | 19.6° | 30.2° |
| H16 | C3 | C2 | O2 | 63.4° | 57.0° |
| H16 | C3 | C2 | C1 | 59.2° | 63.0° |
| H16 | C3 | C2 | H19 | 176.1° | 177.1° |
| O3 | C3M | H181 | H182 | 120.0° | 120.0° |
| O3 | C3M | H181 | H183 | 120.0° | 120.0° |
| O3 | C3M | H182 | H183 | 120.0° | 120.0° |
| H181 | C3M | H182 | H183 | 120.0° | 120.0° |
| O2 | C2 | C1 | H19 | 119.5° | 120.1° |
| C2 | O2 | C2M | H1B1 | 180.0° | 60.0° |
| C2 | O2 | C2M | H1B2 | 60.0° | 60.0° |
| C2 | O2 | C2M | H1B3 | 60.0° | 180.0° |
| O2 | C2 | C1 | O1 | 3.8° | 57.5° |
| O2 | C2 | C1 | H1C | 88.2° | 62.5° |
| C1 | C2 | O2 | C2M | 134.1° | 90.3° |
| C2 | C1 | O1 | H1C | 91.9° | 120.0° |
| C2 | C1 | O1 | H2 | 5.6° | 180.0° |
| H19 | C2 | O2 | C2M | 15.9° | 29.8° |
| H19 | C2 | C1 | O1 | 123.3° | 177.7° |
| H19 | C2 | C1 | H1C | 31.4° | 57.7° |
| O2 | C2M | H1B1 | H1B2 | 120.0° | 119.9° |
| O2 | C2M | H1B1 | H1B3 | 120.0° | 120.0° |
| O2 | C2M | H1B2 | H1B3 | 120.0° | 120.0° |
| H1B1 | C2M | H1B2 | H1B3 | 120.0° | 120.1° |
| H1C | C1 | O1 | H2 | 86.3° | 60.0° |
