6BV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C62 | O62 | sing | 1.43Å | 1.45Å | |
| C62 | C52 | sing | 1.53Å | 1.57Å | |
| C61 | O61 | sing | 1.43Å | 1.37Å | |
| C61 | C51 | sing | 1.53Å | 1.52Å | |
| C52 | C42 | sing | 1.53Å | 1.63Å | |
| C52 | O02 | sing | 1.43Å | 1.47Å | |
| O42 | C42 | sing | 1.43Å | 1.39Å | |
| O41 | C41 | sing | 1.43Å | 1.44Å | |
| C42 | C32 | sing | 1.53Å | 1.57Å | |
| O02 | C12 | sing | 1.43Å | 1.38Å | |
| C51 | C41 | sing | 1.53Å | 1.56Å | |
| C51 | O01 | sing | 1.43Å | 1.48Å | |
| C41 | C31 | sing | 1.53Å | 1.56Å | |
| O01 | C11 | sing | 1.43Å | 1.50Å | |
| C12 | C22 | sing | 1.53Å | 1.53Å | |
| C12 | S12 | sing | 1.81Å | 1.82Å | |
| C32 | O32 | sing | 1.43Å | 1.48Å | |
| C32 | C22 | sing | 1.53Å | 1.52Å | |
| C31 | S12 | sing | 1.81Å | 1.78Å | |
| C31 | C21 | sing | 1.53Å | 1.57Å | |
| C11 | C21 | sing | 1.53Å | 1.56Å | |
| C11 | O11 | sing | 1.43Å | 1.44Å | |
| C22 | O22 | sing | 1.43Å | 1.43Å | |
| C21 | O21 | sing | 1.43Å | 1.44Å | |
| O41 | H1 | sing | 0.97Å | 0.95Å | |
| C41 | H2 | sing | 1.09Å | 1.10Å | |
| C51 | H3 | sing | 1.09Å | 1.10Å | |
| C61 | H4 | sing | 1.09Å | 1.10Å | |
| C61 | H5 | sing | 1.09Å | 1.10Å | |
| O61 | H6 | sing | 0.97Å | 0.95Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| O11 | H8 | sing | 0.97Å | 0.95Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| O21 | H10 | sing | 0.97Å | 0.95Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C52 | H13 | sing | 1.09Å | 1.10Å | |
| C62 | H14 | sing | 1.09Å | 1.10Å | |
| C62 | H15 | sing | 1.09Å | 1.10Å | |
| O62 | H16 | sing | 0.97Å | 0.95Å | |
| C42 | H17 | sing | 1.09Å | 1.10Å | |
| O42 | H18 | sing | 0.97Å | 0.95Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| O32 | H20 | sing | 0.97Å | 0.95Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O62 | C62 | C52 | 104.6° | 109.4° |
| O62 | C62 | H14 | 110.7° | 109.4° |
| O62 | C62 | H15 | 110.7° | 109.5° |
| C62 | O62 | H16 | 109.5° | 114.0° |
| C62 | C52 | C42 | 107.9° | 109.5° |
| C62 | C52 | O02 | 112.7° | 109.5° |
| C62 | C52 | H13 | 109.9° | 109.5° |
| C52 | C62 | H14 | 110.7° | 109.5° |
| C52 | C62 | H15 | 110.7° | 109.5° |
| O61 | C61 | C51 | 108.9° | 109.4° |
| O61 | C61 | H4 | 109.6° | 109.4° |
| O61 | C61 | H5 | 109.6° | 109.5° |
| C61 | O61 | H6 | 109.5° | 114.0° |
| C61 | C51 | C41 | 110.6° | 109.5° |
| C61 | C51 | O01 | 111.4° | 109.5° |
| C61 | C51 | H3 | 108.3° | 109.5° |
| C51 | C61 | H4 | 109.6° | 109.4° |
| C51 | C61 | H5 | 109.6° | 109.5° |
| C42 | C52 | O02 | 105.8° | 109.4° |
| C52 | C42 | O42 | 113.6° | 109.5° |
| C52 | C42 | C32 | 104.5° | 109.2° |
| C42 | C52 | H13 | 109.2° | 109.5° |
| C52 | C42 | H17 | 109.4° | 109.5° |
| C52 | O02 | C12 | 116.8° | 114.1° |
| O02 | C52 | H13 | 111.2° | 109.4° |
| O42 | C42 | C32 | 105.8° | 109.5° |
| O42 | C42 | H17 | 112.9° | 109.5° |
| C42 | O42 | H18 | 109.5° | 114.0° |
| O41 | C41 | C51 | 104.4° | 109.5° |
| O41 | C41 | C31 | 108.3° | 109.5° |
| C41 | O41 | H1 | 109.5° | 114.0° |
| O41 | C41 | H2 | 114.1° | 109.5° |
| C42 | C32 | O32 | 108.6° | 109.6° |
| C42 | C32 | C22 | 112.4° | 109.0° |
| C32 | C42 | H17 | 110.2° | 109.6° |
| C42 | C32 | H19 | 107.2° | 109.5° |
| O02 | C12 | C22 | 115.5° | 109.4° |
| O02 | C12 | S12 | 116.4° | 109.5° |
| O02 | C12 | H12 | 108.5° | 109.5° |
| C41 | C51 | O01 | 109.8° | 109.4° |
| C51 | C41 | C31 | 105.1° | 109.2° |
| C51 | C41 | H2 | 112.1° | 109.6° |
| C41 | C51 | H3 | 107.8° | 109.5° |
| C51 | O01 | C11 | 108.2° | 114.1° |
| O01 | C51 | H3 | 108.9° | 109.5° |
| C41 | C31 | S12 | 110.9° | 109.6° |
| C41 | C31 | C21 | 113.2° | 109.0° |
| C31 | C41 | H2 | 112.2° | 109.5° |
| C41 | C31 | H11 | 106.9° | 109.6° |
| O01 | C11 | C21 | 105.3° | 109.4° |
| O01 | C11 | O11 | 106.8° | 109.4° |
| O01 | C11 | H7 | 109.7° | 109.5° |
| C22 | C12 | S12 | 105.0° | 109.5° |
| C12 | C22 | C32 | 113.8° | 109.2° |
| C12 | C22 | O22 | 108.4° | 109.5° |
| C22 | C12 | H12 | 106.6° | 109.5° |
| C12 | C22 | H21 | 107.1° | 109.5° |
| C12 | S12 | C31 | 112.1° | 103.0° |
| S12 | C12 | H12 | 103.9° | 109.4° |
| O32 | C32 | C22 | 112.3° | 109.5° |
| O32 | C32 | H19 | 108.3° | 109.6° |
| C32 | O32 | H20 | 109.5° | 114.0° |
| C32 | C22 | O22 | 111.8° | 109.5° |
| C22 | C32 | H19 | 107.9° | 109.6° |
| C32 | C22 | H21 | 107.3° | 109.6° |
| S12 | C31 | C21 | 113.6° | 109.5° |
| S12 | C31 | H11 | 104.7° | 109.6° |
| C31 | C21 | C11 | 109.9° | 109.1° |
| C31 | C21 | O21 | 108.5° | 109.5° |
| C31 | C21 | H9 | 107.9° | 109.6° |
| C21 | C31 | H11 | 106.7° | 109.6° |
| C21 | C11 | O11 | 115.4° | 109.5° |
| C11 | C21 | O21 | 112.7° | 109.5° |
| C21 | C11 | H7 | 108.8° | 109.5° |
| C11 | C21 | H9 | 108.0° | 109.5° |
| O11 | C11 | H7 | 110.6° | 109.5° |
| C11 | O11 | H8 | 109.5° | 114.1° |
| O22 | C22 | H21 | 108.3° | 109.5° |
| C22 | O22 | H22 | 109.5° | 114.0° |
| O21 | C21 | H9 | 109.7° | 109.5° |
| C21 | O21 | H10 | 109.5° | 114.0° |
| H4 | C61 | H5 | 109.5° | 109.5° |
| H14 | C62 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O62 | C62 | C52 | H14 | 119.2° | 119.9° |
| O62 | C62 | C52 | H15 | 119.2° | 120.0° |
| O62 | C62 | C52 | C42 | 66.9° | 175.0° |
| O62 | C62 | C52 | O02 | 49.5° | 65.1° |
| O62 | C62 | C52 | H13 | 174.2° | 54.9° |
| O62 | C62 | H14 | H15 | 122.3° | 120.0° |
| C62 | C52 | C42 | O02 | 120.8° | 120.0° |
| C62 | C52 | C42 | H13 | 119.3° | 120.1° |
| C62 | C52 | O02 | H13 | 123.9° | 120.1° |
| C62 | C52 | C42 | O42 | 60.8° | 62.5° |
| C62 | C52 | C42 | C32 | 175.6° | 177.6° |
| C62 | C52 | O02 | C12 | 179.2° | 178.9° |
| C52 | C62 | H14 | H15 | 122.3° | 120.1° |
| C52 | C62 | O62 | H16 | 180.0° | 180.0° |
| C62 | C52 | C42 | H17 | 66.4° | 57.6° |
| O61 | C61 | C51 | H4 | 119.9° | 119.9° |
| O61 | C61 | C51 | H5 | 119.9° | 120.0° |
| O61 | C61 | C51 | C41 | 51.6° | 175.0° |
| O61 | C61 | C51 | O01 | 70.8° | 65.1° |
| O61 | C61 | C51 | H3 | 169.5° | 54.9° |
| O61 | C61 | H4 | H5 | 120.3° | 120.0° |
| C61 | C51 | C41 | O41 | 61.7° | 62.6° |
| C61 | C51 | C41 | O01 | 123.3° | 119.9° |
| C61 | C51 | C41 | H3 | 118.2° | 120.1° |
| C61 | C51 | O01 | H3 | 119.4° | 120.1° |
| C61 | C51 | C41 | C31 | 175.5° | 177.6° |
| C61 | C51 | O01 | C11 | 163.7° | 178.8° |
| C61 | C51 | C41 | H2 | 62.3° | 57.6° |
| C51 | C61 | H4 | H5 | 120.3° | 120.1° |
| C51 | C61 | O61 | H6 | 180.0° | 180.0° |
| C42 | C52 | O02 | H13 | 118.5° | 120.0° |
| C52 | C42 | O42 | C32 | 114.0° | 119.7° |
| C52 | C42 | O42 | H17 | 125.3° | 120.1° |
| C52 | C42 | C32 | H17 | 117.5° | 119.9° |
| C42 | C52 | O02 | C12 | 63.2° | 61.1° |
| C52 | C42 | C32 | O32 | 177.5° | 176.8° |
| C52 | C42 | C32 | C22 | 57.7° | 57.0° |
| C42 | C52 | C62 | H14 | 52.3° | 55.1° |
| C42 | C52 | C62 | H15 | 173.9° | 65.0° |
| C52 | C42 | O42 | H18 | 180.0° | 180.0° |
| C52 | C42 | C32 | H19 | 60.7° | 62.9° |
| O02 | C52 | C42 | O42 | 178.4° | 177.5° |
| O02 | C52 | C42 | C32 | 63.6° | 57.6° |
| C52 | O02 | C12 | C22 | 49.9° | 61.2° |
| C52 | O02 | C12 | S12 | 173.7° | 178.9° |
| C52 | O02 | C12 | H12 | 69.6° | 58.9° |
| O02 | C52 | C62 | H14 | 168.7° | 175.0° |
| O02 | C52 | C62 | H15 | 69.7° | 54.9° |
| O02 | C52 | C42 | H17 | 54.4° | 62.4° |
| O42 | C42 | C32 | H17 | 122.4° | 120.2° |
| O42 | C42 | C32 | O32 | 57.3° | 63.3° |
| O42 | C42 | C32 | C22 | 177.8° | 176.9° |
| O42 | C42 | C52 | H13 | 58.6° | 57.6° |
| O42 | C42 | C32 | H19 | 59.4° | 57.0° |
| O41 | C41 | C51 | C31 | 113.9° | 119.8° |
| O41 | C41 | C51 | H2 | 124.0° | 120.2° |
| O41 | C41 | C51 | O01 | 175.0° | 177.5° |
| O41 | C41 | C31 | H2 | 126.8° | 120.1° |
| O41 | C41 | C31 | S12 | 67.8° | 63.3° |
| O41 | C41 | C31 | C21 | 163.1° | 176.9° |
| O41 | C41 | C51 | H3 | 56.5° | 57.5° |
| O41 | C41 | C31 | H11 | 45.8° | 56.9° |
| C42 | C32 | C22 | C12 | 45.2° | 57.0° |
| C42 | C32 | O32 | C22 | 124.9° | 119.5° |
| C42 | C32 | O32 | H19 | 116.1° | 120.2° |
| C42 | C32 | C22 | H19 | 118.0° | 119.9° |
| C42 | C32 | C22 | O22 | 168.4° | 176.9° |
| C32 | C42 | C52 | H13 | 56.2° | 62.3° |
| C32 | C42 | O42 | H18 | 66.0° | 60.3° |
| C42 | C32 | O32 | H20 | 180.0° | 180.0° |
| C42 | C32 | C22 | H21 | 73.1° | 63.0° |
| O02 | C12 | C22 | S12 | 129.6° | 120.0° |
| O02 | C12 | C22 | H12 | 120.6° | 120.0° |
| O02 | C12 | S12 | H12 | 119.2° | 120.0° |
| O02 | C12 | C22 | C32 | 38.5° | 57.6° |
| O02 | C12 | S12 | C31 | 50.0° | 65.0° |
| O02 | C12 | C22 | O22 | 163.5° | 177.5° |
| C12 | O02 | C52 | H13 | 55.3° | 58.8° |
| O02 | C12 | C22 | H21 | 79.9° | 62.3° |
| C41 | C51 | O01 | H3 | 117.8° | 120.0° |
| C51 | C41 | C31 | H2 | 122.1° | 120.0° |
| C41 | C51 | O01 | C11 | 73.5° | 61.2° |
| C51 | C41 | C31 | S12 | 178.9° | 176.8° |
| C51 | C41 | C31 | C21 | 52.0° | 57.0° |
| C51 | C41 | O41 | H1 | 180.0° | 60.4° |
| C41 | C51 | C61 | H4 | 68.3° | 55.1° |
| C41 | C51 | C61 | H5 | 171.5° | 65.0° |
| C51 | C41 | C31 | H11 | 65.3° | 62.9° |
| O01 | C51 | C41 | C31 | 61.1° | 57.7° |
| C51 | O01 | C11 | C21 | 69.4° | 61.2° |
| C51 | O01 | C11 | O11 | 167.4° | 178.8° |
| O01 | C51 | C41 | H2 | 61.0° | 62.3° |
| O01 | C51 | C61 | H4 | 169.3° | 175.0° |
| O01 | C51 | C61 | H5 | 49.1° | 54.9° |
| C51 | O01 | C11 | H7 | 47.6° | 58.8° |
| C41 | C31 | S12 | C12 | 82.0° | 175.0° |
| C41 | C31 | S12 | C21 | 128.9° | 119.5° |
| C41 | C31 | S12 | H11 | 115.0° | 120.3° |
| C41 | C31 | C21 | H11 | 117.4° | 119.9° |
| C41 | C31 | C21 | C11 | 53.7° | 57.0° |
| C41 | C31 | C21 | O21 | 177.3° | 176.9° |
| C31 | C41 | O41 | H1 | 68.4° | 180.0° |
| C31 | C41 | C51 | H3 | 57.3° | 62.3° |
| C41 | C31 | C21 | H9 | 63.9° | 62.9° |
| O01 | C11 | C21 | C31 | 58.8° | 57.6° |
| O01 | C11 | C21 | O11 | 117.5° | 119.9° |
| O01 | C11 | C21 | H7 | 117.6° | 120.0° |
| O01 | C11 | O11 | H7 | 119.3° | 120.0° |
| O01 | C11 | C21 | O21 | 180.0° | 177.5° |
| C11 | O01 | C51 | H3 | 44.3° | 58.8° |
| O01 | C11 | O11 | H8 | 180.0° | 60.1° |
| O01 | C11 | C21 | H9 | 58.7° | 62.3° |
| C22 | C12 | S12 | H12 | 111.7° | 120.0° |
| C12 | C22 | C32 | O32 | 168.0° | 176.9° |
| C12 | C22 | C32 | O22 | 123.2° | 119.9° |
| C12 | C22 | C32 | H21 | 118.3° | 119.9° |
| C22 | C12 | S12 | C31 | 179.1° | 175.0° |
| C12 | C22 | O22 | H21 | 115.9° | 120.1° |
| C12 | C22 | C32 | H19 | 72.8° | 62.9° |
| C12 | C22 | O22 | H22 | 180.0° | 60.0° |
| S12 | C12 | C22 | C32 | 168.1° | 177.6° |
| C12 | S12 | C31 | C21 | 149.1° | 65.5° |
| S12 | C12 | C22 | O22 | 66.9° | 62.5° |
| C12 | S12 | C31 | H11 | 33.0° | 54.7° |
| S12 | C12 | C22 | H21 | 49.7° | 57.7° |
| O32 | C32 | C22 | H19 | 119.2° | 120.3° |
| O32 | C32 | C22 | O22 | 68.9° | 63.3° |
| O32 | C32 | C42 | H17 | 65.0° | 56.9° |
| O32 | C32 | C22 | H21 | 49.7° | 56.9° |
| C32 | C22 | O22 | H21 | 117.9° | 120.2° |
| C32 | C22 | C12 | H12 | 82.1° | 62.4° |
| C22 | C32 | C42 | H17 | 59.8° | 63.0° |
| C22 | C32 | O32 | H20 | 55.1° | 60.5° |
| C32 | C22 | O22 | H22 | 53.8° | 179.7° |
| S12 | C31 | C21 | H11 | 114.9° | 120.2° |
| S12 | C31 | C21 | C11 | 178.6° | 176.8° |
| S12 | C31 | C21 | O21 | 54.9° | 63.2° |
| S12 | C31 | C41 | H2 | 59.0° | 56.8° |
| S12 | C31 | C21 | H9 | 63.9° | 56.9° |
| C31 | S12 | C12 | H12 | 69.2° | 55.0° |
| C31 | C21 | C11 | O21 | 121.2° | 119.9° |
| C31 | C21 | C11 | H9 | 117.5° | 120.0° |
| C31 | C21 | C11 | O11 | 176.3° | 177.6° |
| C31 | C21 | O21 | H9 | 117.7° | 120.2° |
| C21 | C31 | C41 | H2 | 70.1° | 63.0° |
| C31 | C21 | C11 | H7 | 58.7° | 62.4° |
| C31 | C21 | O21 | H10 | 180.0° | 179.7° |
| C21 | C11 | O11 | H7 | 124.0° | 120.1° |
| C11 | C21 | O21 | H9 | 120.4° | 120.1° |
| C21 | C11 | O11 | H8 | 63.4° | 180.0° |
| C11 | C21 | O21 | H10 | 58.0° | 60.0° |
| C11 | C21 | C31 | H11 | 63.7° | 62.9° |
| O11 | C11 | C21 | O21 | 62.5° | 62.5° |
| O11 | C11 | C21 | H9 | 58.8° | 57.6° |
| O22 | C22 | C12 | H12 | 42.9° | 57.5° |
| O22 | C22 | C32 | H19 | 50.3° | 57.0° |
| O21 | C21 | C11 | H7 | 62.4° | 57.5° |
| O21 | C21 | C31 | H11 | 60.0° | 57.0° |
| H1 | O41 | C41 | H2 | 57.3° | 59.9° |
| H2 | C41 | C51 | H3 | 179.4° | 177.7° |
| H2 | C41 | C31 | H11 | 172.6° | 177.1° |
| H3 | C51 | C61 | H4 | 49.6° | 65.0° |
| H3 | C51 | C61 | H5 | 70.6° | 174.9° |
| H4 | C61 | O61 | H6 | 60.1° | 60.1° |
| H5 | C61 | O61 | H6 | 60.1° | 59.9° |
| H7 | C11 | O11 | H8 | 60.7° | 60.0° |
| H7 | C11 | C21 | H9 | 176.2° | 177.6° |
| H9 | C21 | O21 | H10 | 62.4° | 60.1° |
| H9 | C21 | C31 | H11 | 178.8° | 177.1° |
| H12 | C12 | C22 | H21 | 159.5° | 177.6° |
| H13 | C52 | C62 | H14 | 66.6° | 65.0° |
| H13 | C52 | C62 | H15 | 55.0° | 174.9° |
| H13 | C52 | C42 | H17 | 174.3° | 177.7° |
| H14 | C62 | O62 | H16 | 60.7° | 60.0° |
| H15 | C62 | O62 | H16 | 60.8° | 60.0° |
| H17 | C42 | O42 | H18 | 54.7° | 59.9° |
| H17 | C42 | C32 | H19 | 178.2° | 177.1° |
| H19 | C32 | O32 | H20 | 63.9° | 59.8° |
| H19 | C32 | C22 | H21 | 168.9° | 177.2° |
| H21 | C22 | O22 | H22 | 64.1° | 60.1° |
