D1O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.54Å | 1.54Å | |
| O3 | RH1 | sing | 1.78Å | 2.10Å | |
| O7 | C3 | sing | 1.42Å | 1.23Å | |
| O7 | RH1 | sing | 1.81Å | 2.10Å | |
| C3 | O8 | sing | 1.43Å | 1.23Å | |
| O8 | RH2 | sing | 1.81Å | 2.10Å | |
| O4 | RH2 | sing | 1.81Å | 2.09Å | |
| RH1 | RH2 | sing | 2.37Å | 2.40Å | |
| RH1 | O0 | sing | 1.81Å | 2.10Å | |
| RH1 | O1 | sing | 1.81Å | 2.11Å | |
| RH2 | O2 | sing | 1.81Å | 2.10Å | |
| RH2 | O9 | sing | 1.81Å | 2.09Å | |
| O0 | C5 | sing | 1.42Å | 1.23Å | |
| O1 | C1 | sing | 1.43Å | 1.23Å | |
| C5 | O9 | sing | 1.42Å | 1.23Å | |
| C5 | C6 | sing | 1.54Å | 1.55Å | |
| C1 | O2 | sing | 1.43Å | 1.23Å | |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| C1 | H1 | sing | 1.10Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.10Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.11Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| O4 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | O7 | 116.0° | 107.9° |
| C4 | C3 | O8 | 117.1° | 108.1° |
| C4 | C3 | H5 | 92.1° | 107.3° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.4° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| O3 | RH1 | O7 | 90.9° | 94.7° |
| O3 | RH1 | RH2 | 101.9° | 129.3° |
| O3 | RH1 | O0 | 90.6° | 94.8° |
| O3 | RH1 | O1 | 171.3° | 139.7° |
| RH1 | O3 | H13 | 109.5° | 114.0° |
| C3 | O7 | RH1 | 120.7° | 109.1° |
| O7 | C3 | O8 | 126.4° | 119.2° |
| O7 | C3 | H5 | 92.6° | 106.8° |
| O7 | RH1 | RH2 | 86.2° | 80.5° |
| O7 | RH1 | O0 | 176.6° | 161.6° |
| O7 | RH1 | O1 | 91.0° | 91.5° |
| C3 | O8 | RH2 | 118.4° | 108.3° |
| O8 | C3 | H5 | 92.6° | 107.0° |
| O8 | RH2 | O4 | 88.7° | 89.7° |
| O8 | RH2 | RH1 | 88.3° | 90.2° |
| O8 | RH2 | O2 | 90.0° | 90.5° |
| O8 | RH2 | O9 | 176.2° | 178.9° |
| O4 | RH2 | RH1 | 91.4° | 90.3° |
| O4 | RH2 | O2 | 177.1° | 170.8° |
| O4 | RH2 | O9 | 91.3° | 89.7° |
| RH2 | O4 | H14 | 109.5° | 114.0° |
| RH2 | RH1 | O0 | 90.6° | 81.2° |
| RH2 | RH1 | O1 | 86.7° | 91.0° |
| RH1 | RH2 | O2 | 86.0° | 80.4° |
| RH1 | RH2 | O9 | 87.9° | 90.7° |
| O0 | RH1 | O1 | 87.9° | 91.4° |
| RH1 | O0 | C5 | 107.2° | 109.1° |
| RH1 | O1 | C1 | 122.9° | 108.0° |
| O2 | RH2 | O9 | 89.9° | 90.2° |
| RH2 | O2 | C1 | 124.3° | 109.2° |
| RH2 | O9 | C5 | 110.3° | 108.7° |
| O0 | C5 | O9 | 143.7° | 119.5° |
| O0 | C5 | C6 | 102.8° | 107.9° |
| O0 | C5 | H9 | 90.1° | 106.6° |
| O1 | C1 | O2 | 119.7° | 119.3° |
| O1 | C1 | C2 | 119.7° | 107.9° |
| O1 | C1 | H1 | 90.1° | 106.8° |
| O9 | C5 | C6 | 113.6° | 108.1° |
| O9 | C5 | H9 | 90.1° | 106.8° |
| C6 | C5 | H9 | 90.1° | 107.2° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| C5 | C6 | H12 | 109.5° | 109.5° |
| O2 | C1 | C2 | 120.6° | 108.1° |
| O2 | C1 | H1 | 90.0° | 106.9° |
| C2 | C1 | H1 | 90.0° | 107.3° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H4 | 109.5° | 109.4° |
| H3 | C2 | H4 | 109.4° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H10 | C6 | H12 | 109.4° | 109.4° |
| H11 | C6 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | O7 | O8 | 171.4° | 123.7° |
| C4 | C3 | O7 | H5 | 93.5° | 115.1° |
| C4 | C3 | O7 | RH1 | 174.9° | 170.0° |
| C4 | C3 | O8 | H5 | 93.6° | 115.3° |
| C4 | C3 | O8 | RH2 | 175.7° | 125.2° |
| C3 | C4 | H6 | H7 | 120.0° | 119.9° |
| C3 | C4 | H6 | H8 | 120.0° | 120.1° |
| C3 | C4 | H7 | H8 | 120.0° | 120.1° |
| O3 | RH1 | O7 | C3 | 102.7° | 179.2° |
| O3 | RH1 | O7 | RH2 | 101.9° | 129.1° |
| O3 | RH1 | O7 | O0 | 116.6° | 120.8° |
| O3 | RH1 | O7 | O1 | 171.5° | 140.2° |
| O3 | RH1 | RH2 | O8 | 89.4° | 131.4° |
| O3 | RH1 | RH2 | O4 | 0.7° | 41.6° |
| O3 | RH1 | RH2 | O0 | 90.7° | 89.1° |
| O3 | RH1 | RH2 | O1 | 178.6° | 179.6° |
| O3 | RH1 | O0 | O1 | 171.4° | 140.2° |
| O3 | RH1 | RH2 | O2 | 179.5° | 138.1° |
| O3 | RH1 | RH2 | O9 | 90.5° | 48.1° |
| O3 | RH1 | O0 | C5 | 99.7° | 78.4° |
| O3 | RH1 | O1 | C1 | 176.9° | 152.6° |
| O7 | C3 | O8 | H5 | 95.1° | 121.1° |
| O7 | C3 | O8 | RH2 | 4.4° | 1.6° |
| C3 | O7 | RH1 | RH2 | 0.9° | 51.7° |
| C3 | O7 | RH1 | O0 | 13.9° | 60.0° |
| C3 | O7 | RH1 | O1 | 85.8° | 39.0° |
| O7 | C3 | C4 | H6 | 180.0° | 169.7° |
| O7 | C3 | C4 | H7 | 60.0° | 49.8° |
| O7 | C3 | C4 | H8 | 60.0° | 70.2° |
| RH1 | O7 | C3 | O8 | 3.5° | 46.3° |
| O7 | RH1 | RH2 | O8 | 0.8° | 43.1° |
| O7 | RH1 | RH2 | O4 | 89.4° | 46.6° |
| O7 | RH1 | RH2 | O0 | 179.1° | 177.4° |
| O7 | RH1 | RH2 | O1 | 91.2° | 91.4° |
| O7 | RH1 | O0 | O1 | 71.9° | 99.0° |
| O7 | RH1 | RH2 | O2 | 89.3° | 133.6° |
| O7 | RH1 | RH2 | O9 | 179.3° | 136.3° |
| O7 | RH1 | O0 | C5 | 16.9° | 42.4° |
| O7 | RH1 | O1 | C1 | 80.2° | 108.4° |
| RH1 | O7 | C3 | H5 | 91.5° | 74.9° |
| O7 | RH1 | O3 | H13 | 180.0° | 98.4° |
| C3 | O8 | RH2 | O4 | 94.1° | 60.7° |
| C3 | O8 | RH2 | RH1 | 2.7° | 29.7° |
| C3 | O8 | RH2 | O2 | 83.3° | 110.1° |
| C3 | O8 | RH2 | O9 | 3.8° | 120.8° |
| O8 | C3 | C4 | H6 | 7.8° | 60.1° |
| O8 | C3 | C4 | H7 | 127.8° | 180.0° |
| O8 | C3 | C4 | H8 | 112.2° | 60.0° |
| O8 | RH2 | O4 | RH1 | 88.2° | 90.2° |
| O8 | RH2 | O4 | O2 | 62.2° | 91.6° |
| O8 | RH2 | O4 | O9 | 176.2° | 179.0° |
| O8 | RH2 | RH1 | O2 | 90.1° | 90.5° |
| O8 | RH2 | RH1 | O9 | 179.9° | 179.4° |
| O8 | RH2 | RH1 | O0 | 179.9° | 139.5° |
| O8 | RH2 | RH1 | O1 | 92.0° | 48.3° |
| O8 | RH2 | O2 | O9 | 176.2° | 179.1° |
| O8 | RH2 | O9 | C5 | 0.7° | 177.2° |
| O8 | RH2 | O2 | C1 | 87.4° | 38.4° |
| RH2 | O8 | C3 | H5 | 90.7° | 119.5° |
| O8 | RH2 | O4 | H14 | 180.0° | 89.8° |
| O4 | RH2 | RH1 | O2 | 178.7° | 179.8° |
| O4 | RH2 | RH1 | O9 | 91.3° | 89.7° |
| O4 | RH2 | RH1 | O0 | 91.4° | 130.7° |
| O4 | RH2 | RH1 | O1 | 179.3° | 138.0° |
| O4 | RH2 | O2 | O9 | 114.0° | 89.3° |
| O4 | RH2 | O9 | C5 | 89.5° | 117.0° |
| O4 | RH2 | O2 | C1 | 25.2° | 53.1° |
| RH2 | RH1 | O0 | O1 | 86.7° | 90.7° |
| RH1 | RH2 | O2 | O9 | 88.0° | 90.7° |
| RH2 | RH1 | O0 | C5 | 2.2° | 50.7° |
| RH2 | RH1 | O1 | C1 | 6.0° | 27.9° |
| RH1 | RH2 | O9 | C5 | 1.8° | 26.7° |
| RH1 | RH2 | O2 | C1 | 0.9° | 51.7° |
| RH2 | RH1 | O3 | H13 | 93.7° | 180.0° |
| RH1 | RH2 | O4 | H14 | 91.8° | 180.0° |
| O0 | RH1 | RH2 | O2 | 89.8° | 49.0° |
| O0 | RH1 | RH2 | O9 | 0.2° | 41.0° |
| O0 | RH1 | O1 | C1 | 96.6° | 53.4° |
| RH1 | O0 | C5 | O9 | 6.5° | 47.4° |
| RH1 | O0 | C5 | C6 | 174.0° | 171.4° |
| RH1 | O0 | C5 | H9 | 83.9° | 73.7° |
| O0 | RH1 | O3 | H13 | 3.0° | 97.4° |
| O1 | RH1 | RH2 | O2 | 1.9° | 42.2° |
| O1 | RH1 | RH2 | O9 | 88.1° | 132.3° |
| O1 | RH1 | O0 | C5 | 88.8° | 141.4° |
| RH1 | O1 | C1 | O2 | 8.1° | 4.0° |
| RH1 | O1 | C1 | C2 | 172.1° | 127.7° |
| RH1 | O1 | C1 | H1 | 82.0° | 117.2° |
| O1 | RH1 | O3 | H13 | 77.1° | 0.5° |
| RH2 | O2 | C1 | O1 | 5.6° | 47.9° |
| O2 | RH2 | O9 | C5 | 87.9° | 53.7° |
| RH2 | O2 | C1 | C2 | 174.6° | 171.6° |
| RH2 | O2 | C1 | H1 | 84.5° | 73.2° |
| O2 | RH2 | O4 | H14 | 117.8° | 178.6° |
| RH2 | O9 | C5 | O0 | 6.4° | 4.8° |
| RH2 | O9 | C5 | C6 | 174.0° | 128.7° |
| O9 | RH2 | O2 | C1 | 88.8° | 142.4° |
| RH2 | O9 | C5 | H9 | 83.9° | 116.3° |
| O9 | RH2 | O4 | H14 | 3.8° | 89.2° |
| O0 | C5 | O9 | C6 | 179.6° | 123.9° |
| O0 | C5 | O9 | H9 | 90.3° | 121.0° |
| O0 | C5 | C6 | H9 | 90.1° | 114.5° |
| O0 | C5 | C6 | H10 | 180.0° | 169.4° |
| O0 | C5 | C6 | H11 | 60.0° | 49.5° |
| O0 | C5 | C6 | H12 | 60.0° | 70.6° |
| O1 | C1 | O2 | C2 | 179.9° | 123.7° |
| O1 | C1 | O2 | H1 | 90.1° | 121.1° |
| O1 | C1 | C2 | H1 | 90.1° | 114.7° |
| O1 | C1 | C2 | H2 | 180.0° | 70.3° |
| O1 | C1 | C2 | H3 | 60.0° | 49.8° |
| O1 | C1 | C2 | H4 | 60.0° | 169.7° |
| O9 | C5 | C6 | H9 | 90.2° | 114.8° |
| O9 | C5 | C6 | H10 | 0.2° | 59.9° |
| O9 | C5 | C6 | H11 | 120.3° | 179.9° |
| O9 | C5 | C6 | H12 | 119.8° | 60.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H12 | 120.0° | 120.0° |
| C5 | C6 | H11 | H12 | 120.0° | 120.1° |
| O2 | C1 | C2 | H1 | 90.0° | 115.0° |
| O2 | C1 | C2 | H2 | 0.1° | 60.0° |
| O2 | C1 | C2 | H3 | 119.9° | 180.0° |
| O2 | C1 | C2 | H4 | 120.2° | 60.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | H2 | H4 | 120.0° | 120.0° |
| C1 | C2 | H3 | H4 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 89.9° | 175.0° |
| H1 | C1 | C2 | H3 | 150.1° | 65.0° |
| H1 | C1 | C2 | H4 | 30.1° | 55.0° |
| H2 | C2 | H3 | H4 | 120.0° | 119.9° |
| H5 | C3 | C4 | H6 | 86.2° | 55.0° |
| H5 | C3 | C4 | H7 | 33.8° | 64.9° |
| H5 | C3 | C4 | H8 | 153.8° | 175.1° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| H9 | C5 | C6 | H10 | 89.9° | 54.9° |
| H9 | C5 | C6 | H11 | 30.1° | 65.1° |
| H9 | C5 | C6 | H12 | 150.1° | 174.9° |
| H10 | C6 | H11 | H12 | 120.0° | 119.9° |
