DSB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | doub | 1.22Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | sing | 1.36Å | 1.27Å | |
| C2 | C3 | sing | 1.52Å | 1.52Å | |
| C2 | H21 | sing | 1.10Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C3 | C4 | sing | 1.52Å | 1.50Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C5 | C6 | sing | 1.52Å | 1.52Å | |
| C5 | C4 | sing | 1.52Å | 1.52Å | |
| C5 | H51 | sing | 1.10Å | 1.10Å | |
| C5 | H52 | sing | 1.10Å | 1.10Å | |
| O1 | H11 | sing | 0.98Å | 0.95Å | |
| C6 | C7 | sing | 1.52Å | 1.55Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.52Å | 1.51Å | |
| C8 | H81 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.10Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C10 | O11 | sing | 1.36Å | 1.26Å | |
| C10 | O12 | doub | 1.22Å | 1.26Å | |
| O11 | H111 | sing | 0.98Å | 0.95Å | |
| C7 | O7 | doub | 1.23Å | 104.14Å | |
| C4 | O4 | doub | 1.23Å | 104.85Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C2 | 115.1° | 125.9° |
| O2 | C1 | O1 | 126.5° | 122.8° |
| C2 | C1 | O1 | 118.4° | 111.3° |
| C1 | C2 | C3 | 111.1° | 113.3° |
| C1 | C2 | H21 | 108.6° | 108.7° |
| C1 | C2 | H22 | 108.9° | 106.5° |
| C1 | O1 | H11 | 109.5° | 115.0° |
| C3 | C2 | H21 | 108.5° | 110.9° |
| C3 | C2 | H22 | 108.9° | 108.4° |
| C2 | C3 | C4 | 111.3° | 111.6° |
| C2 | C3 | H31 | 108.4° | 113.5° |
| C2 | C3 | H32 | 108.9° | 109.2° |
| H21 | C2 | H22 | 110.8° | 108.8° |
| C4 | C3 | H31 | 108.4° | 109.7° |
| C4 | C3 | H32 | 108.9° | 106.2° |
| C3 | C4 | C5 | 114.5° | 118.0° |
| C3 | C4 | O4 | 111.4° | 120.9° |
| H31 | C3 | H32 | 110.9° | 106.2° |
| C6 | C5 | C4 | 114.0° | 111.4° |
| C6 | C5 | H51 | 107.0° | 109.5° |
| C6 | C5 | H52 | 108.0° | 112.8° |
| C5 | C6 | C7 | 114.2° | 113.6° |
| C5 | C6 | H61 | 106.9° | 111.2° |
| C5 | C6 | H62 | 107.9° | 108.7° |
| C4 | C5 | H51 | 107.0° | 108.3° |
| C4 | C5 | H52 | 108.0° | 108.4° |
| C5 | C4 | O4 | 132.2° | 121.1° |
| H51 | C5 | H52 | 113.0° | 106.3° |
| C7 | C6 | H61 | 106.9° | 108.1° |
| C7 | C6 | H62 | 108.0° | 106.6° |
| C6 | C7 | C8 | 125.8° | 115.3° |
| C6 | C7 | O7 | 137.8° | 122.5° |
| H61 | C6 | H62 | 113.2° | 108.5° |
| C9 | C8 | C7 | 112.5° | 113.4° |
| C9 | C8 | H81 | 107.8° | 108.6° |
| C9 | C8 | H82 | 108.5° | 111.0° |
| C8 | C9 | C10 | 109.5° | 112.6° |
| C8 | C9 | H91 | 109.4° | 111.2° |
| C8 | C9 | H92 | 109.5° | 108.3° |
| C7 | C8 | H81 | 107.8° | 106.8° |
| C7 | C8 | H82 | 108.4° | 108.4° |
| C8 | C7 | O7 | 87.3° | 122.3° |
| H81 | C8 | H82 | 111.9° | 108.4° |
| C10 | C9 | H91 | 109.4° | 108.8° |
| C10 | C9 | H92 | 109.5° | 107.1° |
| C9 | C10 | O11 | 117.8° | 110.0° |
| C9 | C10 | O12 | 116.6° | 126.3° |
| H91 | C9 | H92 | 109.5° | 108.7° |
| O11 | C10 | O12 | 125.5° | 123.7° |
| C10 | O11 | H111 | 109.5° | 111.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C2 | O1 | 179.9° | 179.7° |
| O2 | C1 | C2 | C3 | 162.2° | 3.8° |
| O2 | C1 | C2 | H21 | 78.5° | 120.0° |
| O2 | C1 | C2 | H22 | 42.2° | 123.0° |
| O2 | C1 | O1 | H11 | 0.0° | 0.0° |
| C1 | C2 | C3 | H21 | 119.3° | 122.6° |
| C1 | C2 | C3 | H22 | 120.0° | 118.0° |
| C1 | C2 | H21 | H22 | 119.5° | 115.6° |
| C1 | C2 | C3 | C4 | 163.4° | 177.4° |
| C1 | C2 | C3 | H31 | 44.2° | 58.0° |
| C1 | C2 | C3 | H32 | 76.6° | 60.3° |
| C2 | C1 | O1 | H11 | 179.9° | 179.7° |
| O1 | C1 | C2 | C3 | 17.9° | 175.9° |
| O1 | C1 | C2 | H21 | 101.4° | 60.3° |
| O1 | C1 | C2 | H22 | 137.9° | 56.8° |
| C3 | C2 | H21 | H22 | 119.5° | 119.1° |
| C2 | C3 | C4 | H31 | 119.2° | 126.7° |
| C2 | C3 | C4 | H32 | 120.0° | 118.9° |
| C2 | C3 | H31 | H32 | 119.5° | 120.0° |
| C2 | C3 | C4 | C5 | 80.6° | 173.3° |
| C2 | C3 | C4 | O4 | 85.5° | 8.9° |
| H21 | C2 | C3 | C4 | 77.3° | 60.0° |
| H21 | C2 | C3 | H31 | 163.5° | 64.7° |
| H21 | C2 | C3 | H32 | 42.8° | 177.1° |
| H22 | C2 | C3 | C4 | 43.4° | 59.4° |
| H22 | C2 | C3 | H31 | 75.8° | 176.0° |
| H22 | C2 | C3 | H32 | 163.4° | 57.7° |
| C4 | C3 | H31 | H32 | 119.5° | 114.4° |
| C3 | C4 | C5 | C6 | 171.1° | 179.6° |
| C3 | C4 | C5 | O4 | 162.4° | 177.8° |
| C3 | C4 | C5 | H51 | 53.1° | 60.0° |
| C3 | C4 | C5 | H52 | 68.9° | 54.9° |
| H31 | C3 | C4 | C5 | 160.2° | 60.0° |
| H31 | C3 | C4 | O4 | 33.7° | 117.8° |
| H32 | C3 | C4 | C5 | 39.4° | 54.4° |
| H32 | C3 | C4 | O4 | 154.5° | 127.8° |
| C6 | C5 | C4 | H51 | 118.0° | 120.5° |
| C6 | C5 | C4 | H52 | 120.0° | 124.6° |
| C6 | C5 | H51 | H52 | 118.8° | 122.1° |
| C5 | C6 | C7 | H61 | 117.9° | 123.9° |
| C5 | C6 | C7 | H62 | 120.0° | 119.7° |
| C5 | C6 | H61 | H62 | 118.7° | 119.5° |
| C5 | C6 | C7 | C8 | 38.7° | 176.0° |
| C5 | C6 | C7 | O7 | 96.4° | 4.1° |
| C6 | C5 | C4 | O4 | 8.7° | 2.7° |
| C4 | C5 | H51 | H52 | 118.7° | 116.3° |
| C4 | C5 | C6 | C7 | 52.3° | 177.8° |
| C4 | C5 | C6 | H61 | 65.7° | 60.0° |
| C4 | C5 | C6 | H62 | 172.3° | 59.3° |
| H51 | C5 | C6 | C7 | 65.8° | 58.1° |
| H51 | C5 | C6 | H61 | 176.3° | 179.8° |
| H51 | C5 | C6 | H62 | 54.2° | 60.4° |
| H51 | C5 | C4 | O4 | 109.3° | 117.8° |
| H52 | C5 | C6 | C7 | 172.2° | 60.1° |
| H52 | C5 | C6 | H61 | 54.3° | 62.1° |
| H52 | C5 | C6 | H62 | 67.7° | 178.6° |
| H52 | C5 | C4 | O4 | 128.7° | 127.3° |
| C7 | C6 | H61 | H62 | 118.7° | 115.2° |
| C6 | C7 | C8 | C9 | 25.4° | 179.6° |
| C6 | C7 | C8 | O7 | 151.7° | 179.9° |
| C6 | C7 | C8 | H81 | 144.1° | 60.0° |
| C6 | C7 | C8 | H82 | 94.6° | 56.5° |
| H61 | C6 | C7 | C8 | 156.7° | 60.0° |
| H61 | C6 | C7 | O7 | 21.5° | 119.9° |
| H62 | C6 | C7 | C8 | 81.2° | 56.3° |
| H62 | C6 | C7 | O7 | 143.6° | 123.7° |
| C9 | C8 | C7 | H81 | 118.7° | 119.6° |
| C9 | C8 | C7 | H82 | 120.0° | 123.8° |
| C9 | C8 | H81 | H82 | 119.2° | 120.7° |
| C8 | C9 | C10 | H91 | 120.0° | 123.7° |
| C8 | C9 | C10 | H92 | 120.0° | 119.0° |
| C8 | C9 | H91 | H92 | 120.0° | 119.2° |
| C8 | C9 | C10 | O11 | 7.4° | 176.8° |
| C8 | C9 | C10 | O12 | 173.9° | 3.7° |
| C9 | C8 | C7 | O7 | 177.1° | 0.5° |
| C7 | C8 | H81 | H82 | 119.2° | 116.6° |
| C7 | C8 | C9 | C10 | 141.5° | 177.6° |
| C7 | C8 | C9 | H91 | 21.5° | 60.0° |
| C7 | C8 | C9 | H92 | 98.5° | 59.4° |
| H81 | C8 | C9 | C10 | 22.8° | 59.1° |
| H81 | C8 | C9 | H91 | 97.2° | 178.6° |
| H81 | C8 | C9 | H92 | 142.8° | 59.2° |
| H81 | C8 | C7 | O7 | 64.2° | 120.1° |
| H82 | C8 | C9 | C10 | 98.5° | 60.0° |
| H82 | C8 | C9 | H91 | 141.5° | 62.4° |
| H82 | C8 | C9 | H92 | 21.5° | 178.2° |
| H82 | C8 | C7 | O7 | 57.2° | 123.4° |
| C10 | C9 | H91 | H92 | 120.0° | 116.3° |
| C9 | C10 | O11 | O12 | 178.6° | 179.5° |
| C9 | C10 | O11 | H111 | 178.6° | 179.4° |
| H91 | C9 | C10 | O11 | 112.6° | 59.5° |
| H91 | C9 | C10 | O12 | 66.1° | 119.9° |
| H92 | C9 | C10 | O11 | 127.4° | 57.8° |
| H92 | C9 | C10 | O12 | 53.9° | 122.7° |
| O12 | C10 | O11 | H111 | 0.0° | 0.0° |
