8WV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.49Å | 1.49Å | |
| C11 | OS02 | sing | 2.21Å | 2.21Å | |
| C11 | C04 | doub | 1.44Å | 1.44Å | |
| C11 | C08 | sing | 1.45Å | 1.45Å | |
| C01 | C07 | sing | 1.51Å | 1.51Å | |
| OS02 | CL03 | sing | 2.37Å | 2.37Å | |
| OS02 | C04 | sing | 2.17Å | 2.17Å | |
| OS02 | C05 | sing | 2.19Å | 2.19Å | |
| OS02 | C06 | sing | 2.21Å | 2.21Å | |
| OS02 | C07 | sing | 2.22Å | 2.22Å | |
| OS02 | C08 | sing | 2.25Å | 2.25Å | |
| OS02 | CL13 | sing | 2.40Å | 2.40Å | |
| C04 | C07 | sing | 1.40Å | 1.40Å | |
| C05 | C06 | sing | 1.42Å | 1.42Å | |
| C05 | C08 | doub | 1.39Å | 1.39Å | |
| C06 | C07 | doub | 1.46Å | 1.46Å | |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C09 | C12 | sing | 1.55Å | 1.55Å | |
| C10 | H1 | sing | 1.10Å | 1.10Å | |
| C10 | H2 | sing | 1.10Å | 1.10Å | |
| C10 | H3 | sing | 1.10Å | 1.10Å | |
| C01 | H5 | sing | 1.10Å | 1.10Å | |
| C01 | H6 | sing | 1.10Å | 1.10Å | |
| C01 | H7 | sing | 1.10Å | 1.10Å | |
| C09 | H11 | sing | 1.10Å | 1.10Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| C12 | H13 | sing | 1.10Å | 1.10Å | |
| C12 | H14 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | C08 | 117.5° | 117.5° |
| C10 | C09 | C12 | 109.3° | 109.3° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.5° |
| C09 | C10 | H3 | 109.5° | 109.4° |
| C10 | C09 | H11 | 105.5° | 105.5° |
| OS02 | C11 | C04 | 69.4° | 69.4° |
| OS02 | C11 | C08 | 72.7° | 72.7° |
| C11 | OS02 | CL03 | 94.6° | 94.6° |
| C11 | OS02 | C04 | 38.4° | 38.4° |
| C11 | OS02 | C05 | 66.4° | 66.4° |
| C11 | OS02 | C06 | 79.7° | 79.7° |
| C11 | OS02 | C07 | 67.9° | 67.9° |
| C11 | OS02 | C08 | 38.0° | 38.0° |
| C11 | OS02 | CL13 | 155.7° | 155.7° |
| C04 | C11 | C08 | 121.1° | 121.1° |
| C11 | C04 | OS02 | 72.3° | 72.3° |
| C11 | C04 | C07 | 121.3° | 121.3° |
| C11 | C08 | OS02 | 69.3° | 69.3° |
| C11 | C08 | C05 | 116.1° | 116.1° |
| C11 | C08 | C09 | 124.9° | 124.9° |
| C01 | C07 | OS02 | 128.8° | 128.8° |
| C01 | C07 | C04 | 122.8° | 122.8° |
| C01 | C07 | C06 | 119.1° | 119.1° |
| C07 | C01 | H5 | 109.5° | 109.5° |
| C07 | C01 | H6 | 109.5° | 109.5° |
| C07 | C01 | H7 | 109.4° | 109.4° |
| CL03 | OS02 | C04 | 93.9° | 93.9° |
| CL03 | OS02 | C05 | 156.1° | 156.1° |
| CL03 | OS02 | C06 | 157.4° | 157.4° |
| CL03 | OS02 | C07 | 119.2° | 119.2° |
| CL03 | OS02 | C08 | 120.0° | 120.0° |
| CL03 | OS02 | CL13 | 82.8° | 82.8° |
| C04 | OS02 | C05 | 80.1° | 80.1° |
| C04 | OS02 | C06 | 68.0° | 68.0° |
| C04 | OS02 | C07 | 37.1° | 37.1° |
| C04 | OS02 | C08 | 69.4° | 69.4° |
| C04 | OS02 | CL13 | 117.4° | 117.4° |
| OS02 | C04 | C07 | 73.5° | 73.5° |
| C05 | OS02 | C06 | 37.7° | 37.7° |
| C05 | OS02 | C07 | 68.5° | 68.5° |
| C05 | OS02 | C08 | 36.3° | 36.3° |
| C05 | OS02 | CL13 | 120.6° | 120.6° |
| OS02 | C05 | C06 | 71.9° | 71.9° |
| OS02 | C05 | C08 | 74.1° | 74.1° |
| C06 | OS02 | C07 | 38.5° | 38.5° |
| C06 | OS02 | C08 | 67.6° | 67.6° |
| C06 | OS02 | CL13 | 93.5° | 93.5° |
| OS02 | C06 | C05 | 70.4° | 70.4° |
| OS02 | C06 | C07 | 71.1° | 71.1° |
| C07 | OS02 | C08 | 81.4° | 81.4° |
| C07 | OS02 | CL13 | 92.2° | 92.2° |
| OS02 | C07 | C04 | 69.4° | 69.4° |
| OS02 | C07 | C06 | 70.5° | 70.5° |
| C08 | OS02 | CL13 | 156.7° | 156.7° |
| OS02 | C08 | C05 | 69.6° | 69.6° |
| OS02 | C08 | C09 | 130.5° | 130.5° |
| C04 | C07 | C06 | 118.0° | 118.0° |
| C06 | C05 | C08 | 124.3° | 124.3° |
| C05 | C06 | C07 | 119.0° | 119.0° |
| C05 | C08 | C09 | 119.0° | 119.0° |
| C08 | C09 | C12 | 113.2° | 113.2° |
| C08 | C09 | H11 | 105.3° | 105.3° |
| C12 | C09 | H11 | 104.8° | 104.8° |
| C09 | C12 | H12 | 109.5° | 109.5° |
| C09 | C12 | H13 | 109.5° | 109.5° |
| C09 | C12 | H14 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.4° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | C08 | C11 | 93.0° | 93.0° |
| C10 | C09 | C08 | OS02 | 175.2° | 175.2° |
| C10 | C09 | C08 | C05 | 88.2° | 88.2° |
| C10 | C09 | C08 | C12 | 129.0° | 129.0° |
| C10 | C09 | C08 | H11 | 117.0° | 117.0° |
| C10 | C09 | C12 | H11 | 112.7° | 112.7° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C09 | C12 | H12 | 180.0° | 180.0° |
| C10 | C09 | C12 | H13 | 60.0° | 60.0° |
| C10 | C09 | C12 | H14 | 60.0° | 60.0° |
| OS02 | C11 | C04 | C08 | 53.2° | 53.2° |
| C11 | OS02 | C07 | C01 | 146.3° | 146.3° |
| C11 | OS02 | CL03 | C04 | 38.5° | 38.5° |
| C11 | OS02 | CL03 | C05 | 35.8° | 35.8° |
| C11 | OS02 | CL03 | C06 | 74.1° | 74.1° |
| C11 | OS02 | CL03 | C07 | 67.2° | 67.2° |
| C11 | OS02 | CL03 | C08 | 30.0° | 30.0° |
| C11 | OS02 | CL03 | CL13 | 155.7° | 155.7° |
| C11 | OS02 | C04 | C05 | 64.2° | 64.2° |
| C11 | OS02 | C04 | C06 | 101.5° | 101.5° |
| C11 | OS02 | C04 | C07 | 131.6° | 131.6° |
| C11 | OS02 | C04 | CL13 | 176.3° | 176.3° |
| C11 | OS02 | C05 | C06 | 104.3° | 104.3° |
| C11 | OS02 | C05 | C07 | 74.3° | 74.3° |
| C11 | OS02 | C05 | C08 | 31.0° | 31.0° |
| C11 | OS02 | C05 | CL13 | 153.7° | 153.7° |
| C11 | OS02 | C06 | C07 | 67.2° | 67.2° |
| C11 | OS02 | C06 | C08 | 37.7° | 37.7° |
| C11 | OS02 | C06 | CL13 | 156.5° | 156.5° |
| C11 | OS02 | C07 | C08 | 37.0° | 37.0° |
| C11 | OS02 | C07 | CL13 | 165.6° | 165.6° |
| C11 | OS02 | C08 | CL13 | 140.2° | 140.2° |
| OS02 | C11 | C08 | C09 | 125.7° | 125.7° |
| C11 | C04 | C07 | C01 | 179.8° | 179.8° |
| C04 | C11 | C08 | C05 | 1.4° | 1.4° |
| C11 | C04 | C07 | C06 | 3.7° | 3.7° |
| C04 | C11 | C08 | C09 | 177.4° | 177.4° |
| C08 | C11 | C04 | C07 | 3.9° | 3.9° |
| C11 | C08 | C05 | C06 | 1.1° | 1.1° |
| C11 | C08 | C05 | C09 | 178.9° | 178.9° |
| C11 | C08 | C09 | C12 | 35.9° | 35.9° |
| C11 | C08 | C09 | H11 | 149.9° | 149.9° |
| C01 | C07 | OS02 | CL03 | 63.6° | 63.6° |
| C01 | C07 | C04 | OS02 | 123.7° | 123.7° |
| C01 | C07 | OS02 | C05 | 141.5° | 141.5° |
| C01 | C07 | C06 | OS02 | 124.3° | 124.3° |
| C01 | C07 | OS02 | C08 | 176.8° | 176.8° |
| C01 | C07 | OS02 | CL13 | 19.4° | 19.4° |
| C01 | C07 | C04 | C06 | 176.5° | 176.5° |
| C01 | C07 | C06 | C05 | 177.8° | 177.8° |
| C07 | C01 | H5 | H6 | 120.0° | 120.0° |
| C07 | C01 | H5 | H7 | 120.0° | 120.0° |
| C07 | C01 | H6 | H7 | 120.0° | 120.0° |
| CL03 | OS02 | C04 | C05 | 156.7° | 156.7° |
| CL03 | OS02 | C04 | C06 | 166.0° | 166.0° |
| CL03 | OS02 | C04 | C07 | 136.0° | 136.0° |
| CL03 | OS02 | C04 | C08 | 120.6° | 120.6° |
| CL03 | OS02 | C04 | CL13 | 83.9° | 83.9° |
| CL03 | OS02 | C05 | C06 | 143.8° | 143.8° |
| CL03 | OS02 | C05 | C07 | 113.9° | 113.9° |
| CL03 | OS02 | C05 | C08 | 8.5° | 8.5° |
| CL03 | OS02 | C05 | CL13 | 166.8° | 166.8° |
| CL03 | OS02 | C06 | C07 | 9.7° | 9.7° |
| CL03 | OS02 | C06 | C08 | 114.7° | 114.7° |
| CL03 | OS02 | C06 | CL13 | 79.5° | 79.5° |
| CL03 | OS02 | C07 | C08 | 119.6° | 119.6° |
| CL03 | OS02 | C07 | CL13 | 83.0° | 83.0° |
| CL03 | OS02 | C08 | CL13 | 165.8° | 165.8° |
| CL03 | OS02 | C08 | C09 | 64.8° | 64.8° |
| C04 | OS02 | C05 | C06 | 66.7° | 66.7° |
| C04 | OS02 | C05 | C07 | 36.7° | 36.7° |
| C04 | OS02 | C05 | C08 | 68.6° | 68.6° |
| C04 | OS02 | C05 | CL13 | 116.1° | 116.1° |
| C04 | OS02 | C06 | C07 | 29.0° | 29.0° |
| C04 | OS02 | C06 | C08 | 75.9° | 75.9° |
| C04 | OS02 | C06 | CL13 | 118.3° | 118.3° |
| C04 | OS02 | C07 | C08 | 67.1° | 67.1° |
| C04 | OS02 | C07 | CL13 | 135.5° | 135.5° |
| C04 | OS02 | C08 | CL13 | 111.8° | 111.8° |
| C04 | OS02 | C08 | C09 | 147.2° | 147.2° |
| C05 | OS02 | C06 | C07 | 131.7° | 131.7° |
| C05 | OS02 | C06 | C08 | 26.8° | 26.8° |
| C05 | OS02 | C06 | CL13 | 139.1° | 139.1° |
| C05 | OS02 | C07 | C08 | 35.3° | 35.3° |
| C05 | OS02 | C07 | CL13 | 122.1° | 122.1° |
| C05 | OS02 | C08 | CL13 | 10.3° | 10.3° |
| C05 | OS02 | C08 | C09 | 111.2° | 111.2° |
| C06 | OS02 | C07 | C08 | 64.7° | 64.7° |
| C06 | OS02 | C07 | CL13 | 92.8° | 92.8° |
| C06 | OS02 | C08 | CL13 | 38.0° | 38.0° |
| C06 | OS02 | C08 | C09 | 138.9° | 138.9° |
| C07 | OS02 | C08 | CL13 | 75.4° | 75.4° |
| C07 | OS02 | C08 | C09 | 176.4° | 176.4° |
| OS02 | C07 | C01 | H5 | 180.0° | 180.0° |
| OS02 | C07 | C01 | H6 | 60.0° | 60.0° |
| OS02 | C07 | C01 | H7 | 60.0° | 60.0° |
| OS02 | C08 | C09 | C12 | 55.8° | 55.8° |
| OS02 | C08 | C09 | H11 | 58.2° | 58.2° |
| CL13 | OS02 | C08 | C09 | 101.0° | 101.0° |
| C04 | C07 | C06 | C05 | 1.2° | 1.2° |
| C04 | C07 | C01 | H5 | 91.1° | 91.1° |
| C04 | C07 | C01 | H6 | 29.0° | 29.0° |
| C04 | C07 | C01 | H7 | 149.0° | 149.0° |
| C06 | C05 | C08 | C09 | 180.0° | 180.0° |
| C08 | C05 | C06 | C07 | 1.3° | 1.3° |
| C05 | C08 | C09 | C12 | 142.8° | 142.8° |
| C05 | C08 | C09 | H11 | 28.9° | 28.9° |
| C06 | C07 | C01 | H5 | 92.5° | 92.5° |
| C06 | C07 | C01 | H6 | 147.5° | 147.5° |
| C06 | C07 | C01 | H7 | 27.5° | 27.5° |
| C08 | C09 | C12 | H11 | 114.2° | 114.2° |
| C08 | C09 | C10 | H1 | 180.0° | 180.0° |
| C08 | C09 | C10 | H2 | 60.0° | 60.0° |
| C08 | C09 | C10 | H3 | 60.0° | 60.0° |
| C08 | C09 | C12 | H12 | 47.0° | 47.0° |
| C08 | C09 | C12 | H13 | 73.1° | 73.1° |
| C08 | C09 | C12 | H14 | 166.9° | 166.9° |
| C12 | C09 | C10 | H1 | 49.2° | 49.2° |
| C12 | C09 | C10 | H2 | 70.8° | 70.8° |
| C12 | C09 | C10 | H3 | 169.2° | 169.2° |
| C09 | C12 | H12 | H13 | 120.0° | 120.0° |
| C09 | C12 | H12 | H14 | 120.0° | 120.0° |
| C09 | C12 | H13 | H14 | 120.0° | 120.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H1 | C10 | C09 | H11 | 63.1° | 63.1° |
| H2 | C10 | C09 | H11 | 176.9° | 176.9° |
| H3 | C10 | C09 | H11 | 57.0° | 57.0° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H11 | C09 | C12 | H12 | 67.3° | 67.3° |
| H11 | C09 | C12 | H13 | 172.7° | 172.7° |
| H11 | C09 | C12 | H14 | 52.7° | 52.7° |
| H12 | C12 | H13 | H14 | 120.0° | 120.0° |
