0RE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | sing | 1.53Å | 1.50Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.53Å | 1.51Å | |
| C05 | C03 | sing | 1.53Å | 1.51Å | |
| C03 | O04 | sing | 1.43Å | 1.39Å | |
| C03 | C02 | sing | 1.53Å | 1.46Å | |
| C02 | O01 | sing | 1.43Å | 1.34Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| O04 | H5 | sing | 0.97Å | 0.95Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | C08 | 117.7° | 109.5° |
| C07 | C06 | C05 | 116.9° | 109.5° |
| C07 | C06 | H8 | 107.6° | 109.4° |
| C07 | C06 | H9 | 107.6° | 109.5° |
| C06 | C07 | H10 | 107.4° | 109.5° |
| C06 | C07 | H11 | 107.4° | 109.5° |
| C08 | C07 | H10 | 107.3° | 109.5° |
| C08 | C07 | H11 | 107.4° | 109.5° |
| C07 | C08 | H12 | 109.5° | 109.5° |
| C07 | C08 | H13 | 109.4° | 109.5° |
| C07 | C08 | H14 | 109.5° | 109.5° |
| C06 | C05 | C03 | 117.3° | 109.4° |
| C06 | C05 | H6 | 107.5° | 109.5° |
| C06 | C05 | H7 | 107.5° | 109.5° |
| C05 | C06 | H8 | 107.6° | 109.5° |
| C05 | C06 | H9 | 107.6° | 109.5° |
| C05 | C03 | O04 | 115.8° | 109.5° |
| C05 | C03 | C02 | 111.9° | 109.5° |
| C05 | C03 | H4 | 103.8° | 109.5° |
| C03 | C05 | H6 | 107.5° | 109.5° |
| C03 | C05 | H7 | 107.5° | 109.4° |
| O04 | C03 | C02 | 114.4° | 109.5° |
| O04 | C03 | H4 | 105.0° | 109.5° |
| C03 | O04 | H5 | 109.5° | 114.0° |
| C03 | C02 | O01 | 120.8° | 109.5° |
| C03 | C02 | H2 | 106.6° | 109.5° |
| C03 | C02 | H3 | 106.6° | 109.4° |
| C02 | C03 | H4 | 104.3° | 109.5° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| O01 | C02 | H2 | 106.6° | 109.5° |
| O01 | C02 | H3 | 106.5° | 109.5° |
| H2 | C02 | H3 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.4° | 109.5° |
| H8 | C06 | H9 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.5° | 109.4° |
| H12 | C08 | H13 | 109.5° | 109.4° |
| H12 | C08 | H14 | 109.5° | 109.5° |
| H13 | C08 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | C08 | H10 | 121.2° | 120.0° |
| C06 | C07 | C08 | H11 | 121.2° | 120.0° |
| C07 | C06 | C05 | H8 | 121.1° | 120.0° |
| C07 | C06 | C05 | H9 | 121.1° | 120.0° |
| C07 | C06 | C05 | C03 | 138.7° | 180.0° |
| C07 | C06 | C05 | H6 | 100.2° | 60.0° |
| C07 | C06 | C05 | H7 | 17.5° | 60.0° |
| C07 | C06 | H8 | H9 | 116.6° | 120.0° |
| C06 | C07 | H10 | H11 | 116.3° | 120.0° |
| C06 | C07 | C08 | H12 | 180.0° | 60.0° |
| C06 | C07 | C08 | H13 | 60.0° | 60.0° |
| C06 | C07 | C08 | H14 | 60.0° | 180.0° |
| C08 | C07 | C06 | C05 | 86.7° | 180.0° |
| C08 | C07 | C06 | H8 | 34.4° | 60.0° |
| C08 | C07 | C06 | H9 | 152.3° | 60.0° |
| C08 | C07 | H10 | H11 | 116.2° | 120.0° |
| C07 | C08 | H12 | H13 | 120.0° | 120.0° |
| C07 | C08 | H12 | H14 | 120.0° | 120.1° |
| C07 | C08 | H13 | H14 | 120.0° | 120.0° |
| C06 | C05 | C03 | H6 | 121.1° | 120.0° |
| C06 | C05 | C03 | H7 | 121.1° | 119.9° |
| C06 | C05 | C03 | O04 | 51.1° | 65.0° |
| C06 | C05 | C03 | C02 | 82.4° | 175.0° |
| C06 | C05 | C03 | H4 | 165.7° | 55.0° |
| C06 | C05 | H6 | H7 | 116.4° | 120.0° |
| C05 | C06 | H8 | H9 | 116.6° | 120.0° |
| C05 | C06 | C07 | H10 | 34.5° | 60.0° |
| C05 | C06 | C07 | H11 | 152.1° | 60.0° |
| C05 | C03 | O04 | C02 | 132.4° | 120.0° |
| C05 | C03 | O04 | H4 | 113.9° | 120.0° |
| C05 | C03 | C02 | H4 | 111.6° | 120.1° |
| C05 | C03 | C02 | O01 | 159.6° | 175.0° |
| C05 | C03 | C02 | H2 | 78.9° | 64.9° |
| C05 | C03 | C02 | H3 | 38.0° | 55.1° |
| C05 | C03 | O04 | H5 | 180.0° | 60.0° |
| C03 | C05 | H6 | H7 | 116.5° | 120.0° |
| C03 | C05 | C06 | H8 | 17.6° | 60.0° |
| C03 | C05 | C06 | H9 | 100.3° | 60.0° |
| O04 | C03 | C02 | H4 | 114.2° | 120.0° |
| O04 | C03 | C02 | O01 | 25.3° | 65.0° |
| O04 | C03 | C02 | H2 | 146.9° | 55.0° |
| O04 | C03 | C02 | H3 | 96.2° | 175.0° |
| O04 | C03 | C05 | H6 | 70.0° | 55.0° |
| O04 | C03 | C05 | H7 | 172.3° | 175.0° |
| C03 | C02 | O01 | H2 | 121.6° | 120.0° |
| C03 | C02 | O01 | H3 | 121.6° | 119.9° |
| C03 | C02 | O01 | H1 | 180.0° | 180.0° |
| C03 | C02 | H2 | H3 | 114.9° | 119.9° |
| C02 | C03 | O04 | H5 | 47.6° | 60.0° |
| C02 | C03 | C05 | H6 | 156.5° | 64.9° |
| C02 | C03 | C05 | H7 | 38.8° | 55.1° |
| O01 | C02 | H2 | H3 | 114.9° | 120.1° |
| O01 | C02 | C03 | H4 | 88.8° | 54.9° |
| H1 | O01 | C02 | H2 | 58.4° | 60.0° |
| H1 | O01 | C02 | H3 | 58.4° | 60.1° |
| H2 | C02 | C03 | H4 | 32.8° | 175.0° |
| H3 | C02 | C03 | H4 | 149.6° | 65.0° |
| H4 | C03 | O04 | H5 | 66.1° | 180.0° |
| H4 | C03 | C05 | H6 | 44.6° | 175.0° |
| H4 | C03 | C05 | H7 | 73.1° | 65.0° |
| H6 | C05 | C06 | H8 | 138.7° | 180.0° |
| H6 | C05 | C06 | H9 | 20.9° | 60.0° |
| H7 | C05 | C06 | H8 | 103.6° | 59.9° |
| H7 | C05 | C06 | H9 | 138.6° | 180.0° |
| H8 | C06 | C07 | H10 | 155.6° | 180.0° |
| H8 | C06 | C07 | H11 | 86.8° | 60.0° |
| H9 | C06 | C07 | H10 | 86.5° | 60.1° |
| H9 | C06 | C07 | H11 | 31.1° | 180.0° |
| H10 | C07 | C08 | H12 | 58.8° | 180.0° |
| H10 | C07 | C08 | H13 | 178.8° | 60.0° |
| H10 | C07 | C08 | H14 | 61.2° | 59.9° |
| H11 | C07 | C08 | H12 | 58.8° | 60.0° |
| H11 | C07 | C08 | H13 | 61.2° | 180.0° |
| H11 | C07 | C08 | H14 | 178.8° | 60.0° |
| H12 | C08 | H13 | H14 | 120.0° | 120.0° |
