RE6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C02 | C75 | sing | 1.51Å | 1.53Å | |
| C75 | C76 | sing | 1.53Å | 1.53Å | |
| C76 | C77 | sing | 1.53Å | 1.53Å | |
| C77 | C78 | sing | 1.53Å | 1.53Å | |
| C80 | C78 | sing | 1.53Å | 1.53Å | |
| C80 | C81 | sing | 1.53Å | 1.53Å | |
| C78 | C79 | sing | 1.53Å | 1.52Å | |
| C02 | O1 | sing | 1.34Å | 1.45Å | |
| C75 | H1 | sing | 1.09Å | 1.10Å | |
| C75 | H2 | sing | 1.09Å | 1.10Å | |
| C76 | H3 | sing | 1.09Å | 1.10Å | |
| C76 | H4 | sing | 1.09Å | 1.10Å | |
| C77 | H5 | sing | 1.09Å | 1.10Å | |
| C77 | H6 | sing | 1.09Å | 1.10Å | |
| C78 | H7 | sing | 1.09Å | 1.10Å | |
| C79 | H8 | sing | 1.09Å | 1.10Å | |
| C79 | H9 | sing | 1.09Å | 1.10Å | |
| C79 | H10 | sing | 1.09Å | 1.10Å | |
| C80 | H11 | sing | 1.09Å | 1.10Å | |
| C80 | H12 | sing | 1.09Å | 1.10Å | |
| C81 | H13 | sing | 1.09Å | 1.10Å | |
| C81 | H14 | sing | 1.09Å | 1.10Å | |
| C81 | H15 | sing | 1.09Å | 1.10Å | |
| O1 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C75 | 119.7° | 120.0° |
| O01 | C02 | O1 | 120.7° | 120.0° |
| C02 | C75 | C76 | 112.5° | 109.5° |
| C75 | C02 | O1 | 119.6° | 120.0° |
| C02 | C75 | H1 | 108.7° | 109.4° |
| C02 | C75 | H2 | 108.7° | 109.5° |
| C75 | C76 | C77 | 111.8° | 109.5° |
| C76 | C75 | H1 | 108.7° | 109.4° |
| C76 | C75 | H2 | 108.7° | 109.5° |
| C75 | C76 | H3 | 108.9° | 109.4° |
| C75 | C76 | H4 | 108.8° | 109.5° |
| C76 | C77 | C78 | 114.0° | 109.5° |
| C77 | C76 | H3 | 108.9° | 109.5° |
| C77 | C76 | H4 | 108.9° | 109.5° |
| C76 | C77 | H5 | 108.3° | 109.4° |
| C76 | C77 | H6 | 108.3° | 109.4° |
| C77 | C78 | C80 | 112.8° | 109.4° |
| C77 | C78 | C79 | 109.7° | 109.5° |
| C78 | C77 | H5 | 108.3° | 109.5° |
| C78 | C77 | H6 | 108.3° | 109.5° |
| C77 | C78 | H7 | 108.0° | 109.5° |
| C78 | C80 | C81 | 112.4° | 109.5° |
| C80 | C78 | C79 | 110.2° | 109.5° |
| C80 | C78 | H7 | 108.0° | 109.4° |
| C78 | C80 | H11 | 108.7° | 109.5° |
| C78 | C80 | H12 | 108.8° | 109.5° |
| C81 | C80 | H11 | 108.7° | 109.4° |
| C81 | C80 | H12 | 108.7° | 109.5° |
| C80 | C81 | H13 | 109.5° | 109.5° |
| C80 | C81 | H14 | 109.5° | 109.5° |
| C80 | C81 | H15 | 109.5° | 109.5° |
| C79 | C78 | H7 | 108.0° | 109.5° |
| C78 | C79 | H8 | 109.5° | 109.5° |
| C78 | C79 | H9 | 109.5° | 109.5° |
| C78 | C79 | H10 | 109.5° | 109.5° |
| C02 | O1 | H16 | 109.5° | 117.0° |
| H1 | C75 | H2 | 109.5° | 109.4° |
| H3 | C76 | H4 | 109.5° | 109.4° |
| H5 | C77 | H6 | 109.5° | 109.5° |
| H8 | C79 | H9 | 109.5° | 109.5° |
| H8 | C79 | H10 | 109.5° | 109.5° |
| H9 | C79 | H10 | 109.5° | 109.4° |
| H11 | C80 | H12 | 109.5° | 109.4° |
| H13 | C81 | H14 | 109.4° | 109.4° |
| H13 | C81 | H15 | 109.5° | 109.5° |
| H14 | C81 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C75 | O1 | 180.0° | 179.6° |
| O01 | C02 | C75 | C76 | 46.0° | 0.4° |
| O01 | C02 | C75 | H1 | 74.5° | 120.4° |
| O01 | C02 | C75 | H2 | 166.4° | 119.7° |
| O01 | C02 | O1 | H16 | 0.0° | 0.4° |
| C02 | C75 | C76 | H1 | 120.4° | 120.0° |
| C02 | C75 | C76 | H2 | 120.5° | 120.1° |
| C02 | C75 | C76 | C77 | 155.2° | 180.0° |
| C02 | C75 | H1 | H2 | 118.6° | 120.0° |
| C02 | C75 | C76 | H3 | 84.5° | 60.1° |
| C02 | C75 | C76 | H4 | 34.8° | 59.9° |
| C75 | C02 | O1 | H16 | 180.0° | 180.0° |
| C75 | C76 | C77 | H3 | 120.4° | 119.9° |
| C75 | C76 | C77 | H4 | 120.3° | 120.1° |
| C75 | C76 | C77 | C78 | 140.8° | 179.9° |
| C76 | C75 | C02 | O1 | 134.1° | 180.0° |
| C76 | C75 | H1 | H2 | 118.6° | 120.0° |
| C75 | C76 | H3 | H4 | 118.9° | 120.0° |
| C75 | C76 | C77 | H5 | 98.5° | 60.0° |
| C75 | C76 | C77 | H6 | 20.1° | 60.0° |
| C76 | C77 | C78 | H5 | 120.7° | 120.0° |
| C76 | C77 | C78 | H6 | 120.7° | 120.0° |
| C76 | C77 | C78 | C80 | 54.9° | 175.0° |
| C76 | C77 | C78 | C79 | 178.2° | 65.0° |
| C77 | C76 | C75 | H1 | 34.7° | 60.0° |
| C77 | C76 | C75 | H2 | 84.4° | 59.9° |
| C77 | C76 | H3 | H4 | 118.9° | 120.0° |
| C76 | C77 | H5 | H6 | 117.9° | 120.0° |
| C76 | C77 | C78 | H7 | 64.4° | 55.0° |
| C77 | C78 | C80 | C79 | 123.0° | 120.0° |
| C77 | C78 | C80 | H7 | 119.3° | 120.0° |
| C77 | C78 | C80 | C81 | 161.2° | 175.0° |
| C77 | C78 | C79 | H7 | 117.5° | 120.0° |
| C78 | C77 | C76 | H3 | 20.4° | 60.0° |
| C78 | C77 | C76 | H4 | 98.8° | 60.0° |
| C78 | C77 | H5 | H6 | 117.9° | 120.1° |
| C77 | C78 | C79 | H8 | 180.0° | 60.0° |
| C77 | C78 | C79 | H9 | 60.0° | 180.0° |
| C77 | C78 | C79 | H10 | 60.0° | 60.0° |
| C77 | C78 | C80 | H11 | 40.8° | 55.0° |
| C77 | C78 | C80 | H12 | 78.4° | 65.0° |
| C78 | C80 | C81 | H11 | 120.4° | 120.0° |
| C78 | C80 | C81 | H12 | 120.5° | 120.0° |
| C80 | C78 | C79 | H7 | 117.7° | 120.0° |
| C80 | C78 | C77 | H5 | 65.8° | 55.0° |
| C80 | C78 | C77 | H6 | 175.6° | 65.1° |
| C80 | C78 | C79 | H8 | 55.2° | 180.0° |
| C80 | C78 | C79 | H9 | 64.8° | 60.0° |
| C80 | C78 | C79 | H10 | 175.2° | 60.0° |
| C78 | C80 | H11 | H12 | 118.7° | 120.0° |
| C78 | C80 | C81 | H13 | 180.0° | 60.0° |
| C78 | C80 | C81 | H14 | 60.0° | 60.0° |
| C78 | C80 | C81 | H15 | 60.0° | 180.0° |
| C81 | C80 | C78 | C79 | 75.8° | 65.0° |
| C81 | C80 | C78 | H7 | 41.9° | 55.0° |
| C81 | C80 | H11 | H12 | 118.6° | 120.0° |
| C80 | C81 | H13 | H14 | 120.0° | 120.0° |
| C80 | C81 | H13 | H15 | 120.0° | 120.1° |
| C80 | C81 | H14 | H15 | 120.0° | 120.0° |
| C79 | C78 | C77 | H5 | 57.5° | 175.0° |
| C79 | C78 | C77 | H6 | 61.2° | 55.0° |
| C78 | C79 | H8 | H9 | 120.0° | 120.0° |
| C78 | C79 | H8 | H10 | 120.0° | 120.0° |
| C78 | C79 | H9 | H10 | 120.0° | 120.0° |
| C79 | C78 | C80 | H11 | 163.8° | 175.0° |
| C79 | C78 | C80 | H12 | 44.6° | 55.0° |
| O1 | C02 | C75 | H1 | 105.5° | 60.1° |
| O1 | C02 | C75 | H2 | 13.6° | 59.9° |
| H1 | C75 | C76 | H3 | 155.1° | 180.0° |
| H1 | C75 | C76 | H4 | 85.7° | 60.0° |
| H2 | C75 | C76 | H3 | 36.0° | 60.0° |
| H2 | C75 | C76 | H4 | 155.3° | 180.0° |
| H3 | C76 | C77 | H5 | 141.1° | 180.0° |
| H3 | C76 | C77 | H6 | 100.2° | 60.0° |
| H4 | C76 | C77 | H5 | 21.8° | 60.1° |
| H4 | C76 | C77 | H6 | 140.5° | 179.9° |
| H5 | C77 | C78 | H7 | 175.0° | 64.9° |
| H6 | C77 | C78 | H7 | 56.3° | 175.0° |
| H7 | C78 | C79 | H8 | 62.5° | 60.0° |
| H7 | C78 | C79 | H9 | 177.5° | 60.0° |
| H7 | C78 | C79 | H10 | 57.5° | 179.9° |
| H7 | C78 | C80 | H11 | 78.5° | 65.0° |
| H7 | C78 | C80 | H12 | 162.4° | 175.0° |
| H8 | C79 | H9 | H10 | 120.0° | 120.0° |
| H11 | C80 | C81 | H13 | 59.6° | 180.0° |
| H11 | C80 | C81 | H14 | 179.6° | 60.0° |
| H11 | C80 | C81 | H15 | 60.4° | 60.0° |
| H12 | C80 | C81 | H13 | 59.5° | 60.1° |
| H12 | C80 | C81 | H14 | 60.5° | 180.0° |
| H12 | C80 | C81 | H15 | 179.5° | 60.0° |
| H13 | C81 | H14 | H15 | 120.0° | 120.0° |
