8WV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.54Å | 1.49Å | |
| C11 | OS02 | sing | 2.19Å | 2.21Å | |
| C11 | C04 | doub | 1.38Å | 1.44Å | Aromatic |
| C11 | C08 | sing | 1.39Å | 1.45Å | Aromatic |
| C01 | C07 | sing | 1.51Å | 1.51Å | |
| OS02 | CL03 | sing | 2.41Å | 2.37Å | |
| OS02 | C04 | sing | 2.19Å | 2.17Å | |
| OS02 | C05 | sing | 2.19Å | 2.19Å | |
| OS02 | C06 | sing | 2.19Å | 2.21Å | |
| OS02 | C07 | sing | 2.21Å | 2.22Å | |
| OS02 | C08 | sing | 2.21Å | 2.25Å | |
| OS02 | CL13 | sing | 2.41Å | 2.40Å | |
| C04 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.42Å | Aromatic |
| C05 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.46Å | Aromatic |
| C08 | C09 | sing | 1.54Å | 1.51Å | |
| C09 | C12 | sing | 1.54Å | 1.55Å | |
| C10 | H1 | sing | 0.97Å | 1.10Å | |
| C10 | H2 | sing | 0.97Å | 1.10Å | |
| C10 | H3 | sing | 0.97Å | 1.10Å | |
| C01 | H5 | sing | 0.97Å | 1.10Å | |
| C01 | H6 | sing | 0.97Å | 1.10Å | |
| C01 | H7 | sing | 0.97Å | 1.10Å | |
| C09 | H11 | sing | 0.99Å | 1.10Å | |
| C12 | H12 | sing | 0.97Å | 1.10Å | |
| C12 | H13 | sing | 0.97Å | 1.10Å | |
| C12 | H14 | sing | 0.97Å | 1.10Å | |
| H4 | C04 | sing | 0.94Å | 1.10Å | |
| H8 | C05 | sing | 0.94Å | 1.10Å | |
| H9 | C06 | sing | 0.94Å | 1.10Å | |
| H10 | C11 | sing | 0.94Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | C08 | 117.5° | 113.6° |
| C10 | C09 | C12 | 109.3° | 111.5° |
| C09 | C10 | H1 | 109.5° | 109.8° |
| C09 | C10 | H2 | 109.5° | 109.8° |
| C09 | C10 | H3 | 109.5° | 109.4° |
| C10 | C09 | H11 | 105.5° | 106.3° |
| OS02 | C11 | C04 | 69.4° | 71.6° |
| OS02 | C11 | C08 | 72.7° | 72.5° |
| C11 | OS02 | CL03 | 94.6° | 94.8° |
| C11 | OS02 | C04 | 38.4° | 36.8° |
| C11 | OS02 | C05 | 66.4° | 65.7° |
| C11 | OS02 | C06 | 79.7° | 77.6° |
| C11 | OS02 | C07 | 67.9° | 66.4° |
| C11 | OS02 | C08 | 38.0° | 36.9° |
| C11 | OS02 | CL13 | 155.7° | 160.6° |
| OS02 | C11 | H10 | 107.0° | 128.7° |
| C04 | C11 | C08 | 121.1° | 121.2° |
| C11 | C04 | OS02 | 72.3° | 71.5° |
| C11 | C04 | C07 | 121.3° | 121.3° |
| C11 | C04 | H4 | 117.1° | 119.4° |
| C04 | C11 | H10 | 116.7° | 119.3° |
| C11 | C08 | OS02 | 69.3° | 70.6° |
| C11 | C08 | C05 | 116.1° | 117.1° |
| C11 | C08 | C09 | 124.9° | 122.3° |
| C08 | C11 | H10 | 116.4° | 119.5° |
| C01 | C07 | OS02 | 128.8° | 129.9° |
| C01 | C07 | C04 | 122.8° | 121.2° |
| C01 | C07 | C06 | 119.1° | 121.1° |
| C07 | C01 | H5 | 109.5° | 109.8° |
| C07 | C01 | H6 | 109.5° | 109.8° |
| C07 | C01 | H7 | 109.4° | 109.5° |
| CL03 | OS02 | C04 | 93.9° | 88.0° |
| CL03 | OS02 | C05 | 156.1° | 160.4° |
| CL03 | OS02 | C06 | 157.4° | 145.0° |
| CL03 | OS02 | C07 | 119.2° | 109.0° |
| CL03 | OS02 | C08 | 120.0° | 124.7° |
| CL03 | OS02 | CL13 | 82.8° | 89.9° |
| C04 | OS02 | C05 | 80.1° | 77.6° |
| C04 | OS02 | C06 | 68.0° | 65.4° |
| C04 | OS02 | C07 | 37.1° | 36.6° |
| C04 | OS02 | C08 | 69.4° | 66.6° |
| C04 | OS02 | CL13 | 117.4° | 124.9° |
| OS02 | C04 | C07 | 73.5° | 72.5° |
| OS02 | C04 | H4 | 107.6° | 128.7° |
| C05 | OS02 | C06 | 37.7° | 36.8° |
| C05 | OS02 | C07 | 68.5° | 66.4° |
| C05 | OS02 | C08 | 36.3° | 36.8° |
| C05 | OS02 | CL13 | 120.6° | 109.3° |
| OS02 | C05 | C06 | 71.9° | 71.6° |
| OS02 | C05 | C08 | 74.1° | 72.5° |
| OS02 | C05 | H8 | 106.0° | 128.7° |
| C06 | OS02 | C07 | 38.5° | 36.6° |
| C06 | OS02 | C08 | 67.6° | 66.6° |
| C06 | OS02 | CL13 | 93.5° | 87.8° |
| OS02 | C06 | C05 | 70.4° | 71.6° |
| OS02 | C06 | C07 | 71.1° | 72.5° |
| OS02 | C06 | H9 | 107.8° | 128.7° |
| C07 | OS02 | C08 | 81.4° | 79.3° |
| C07 | OS02 | CL13 | 92.2° | 94.3° |
| OS02 | C07 | C04 | 69.4° | 70.9° |
| OS02 | C07 | C06 | 70.5° | 70.9° |
| C08 | OS02 | CL13 | 156.7° | 145.2° |
| OS02 | C08 | C05 | 69.6° | 70.7° |
| OS02 | C08 | C09 | 130.5° | 129.6° |
| C04 | C07 | C06 | 118.0° | 117.7° |
| C07 | C04 | H4 | 118.0° | 119.2° |
| C06 | C05 | C08 | 124.3° | 121.3° |
| C05 | C06 | C07 | 119.0° | 121.3° |
| C06 | C05 | H8 | 115.2° | 119.3° |
| C05 | C06 | H9 | 118.3° | 119.5° |
| C05 | C08 | C09 | 119.0° | 120.5° |
| C08 | C05 | H8 | 115.8° | 119.5° |
| C07 | C06 | H9 | 117.5° | 119.2° |
| C08 | C09 | C12 | 113.2° | 112.5° |
| C08 | C09 | H11 | 105.3° | 106.0° |
| C12 | C09 | H11 | 104.8° | 106.4° |
| C09 | C12 | H12 | 109.5° | 109.4° |
| C09 | C12 | H13 | 109.5° | 109.8° |
| C09 | C12 | H14 | 109.5° | 109.8° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H1 | C10 | H3 | 109.5° | 109.2° |
| H2 | C10 | H3 | 109.4° | 109.3° |
| H5 | C01 | H6 | 109.5° | 109.2° |
| H5 | C01 | H7 | 109.4° | 109.2° |
| H6 | C01 | H7 | 109.5° | 109.3° |
| H12 | C12 | H13 | 109.5° | 109.2° |
| H12 | C12 | H14 | 109.5° | 109.2° |
| H13 | C12 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | C08 | C11 | 93.0° | 61.8° |
| C10 | C09 | C08 | OS02 | 175.2° | 152.6° |
| C10 | C09 | C08 | C05 | 88.2° | 118.0° |
| C10 | C09 | C08 | C12 | 129.0° | 127.8° |
| C10 | C09 | C08 | H11 | 117.0° | 116.3° |
| C10 | C09 | C12 | H11 | 112.7° | 115.4° |
| C09 | C10 | H1 | H2 | 120.0° | 120.5° |
| C09 | C10 | H1 | H3 | 120.0° | 119.9° |
| C09 | C10 | H2 | H3 | 120.0° | 119.9° |
| C10 | C09 | C12 | H12 | 180.0° | 179.9° |
| C10 | C09 | C12 | H13 | 60.0° | 60.0° |
| C10 | C09 | C12 | H14 | 60.0° | 60.3° |
| OS02 | C11 | C04 | C08 | 53.2° | 55.1° |
| OS02 | C11 | C04 | H10 | 99.3° | 124.7° |
| OS02 | C11 | C08 | H10 | 100.8° | 125.1° |
| C11 | OS02 | C07 | C01 | 146.3° | 143.8° |
| C11 | OS02 | CL03 | C04 | 38.5° | 36.2° |
| C11 | OS02 | CL03 | C05 | 35.8° | 6.2° |
| C11 | OS02 | CL03 | C06 | 74.1° | 75.2° |
| C11 | OS02 | CL03 | C07 | 67.2° | 66.7° |
| C11 | OS02 | CL03 | C08 | 30.0° | 23.3° |
| C11 | OS02 | CL03 | CL13 | 155.7° | 161.2° |
| C11 | OS02 | C04 | C05 | 64.2° | 65.9° |
| C11 | OS02 | C04 | C06 | 101.5° | 102.6° |
| C11 | OS02 | C04 | C07 | 131.6° | 132.9° |
| C11 | OS02 | C04 | CL13 | 176.3° | 170.8° |
| C11 | OS02 | C05 | C06 | 104.3° | 102.1° |
| C11 | OS02 | C05 | C07 | 74.3° | 73.6° |
| C11 | OS02 | C05 | C08 | 31.0° | 30.6° |
| C11 | OS02 | C05 | CL13 | 153.7° | 159.9° |
| C11 | OS02 | C06 | C07 | 67.2° | 67.0° |
| C11 | OS02 | C06 | C08 | 37.7° | 37.1° |
| C11 | OS02 | C06 | CL13 | 156.5° | 167.2° |
| C11 | OS02 | C07 | C08 | 37.0° | 36.3° |
| C11 | OS02 | C07 | CL13 | 165.6° | 178.3° |
| C11 | OS02 | C08 | CL13 | 140.2° | 146.8° |
| OS02 | C11 | C08 | C09 | 125.7° | 125.3° |
| C11 | OS02 | C04 | H4 | 113.6° | 113.4° |
| C11 | OS02 | C05 | H8 | 143.9° | 144.7° |
| C11 | OS02 | C06 | H9 | 179.0° | 179.3° |
| C04 | C11 | C08 | H10 | 152.5° | 179.8° |
| C11 | C04 | C07 | C01 | 179.8° | 179.8° |
| C11 | C04 | C07 | H4 | 158.1° | 179.6° |
| C04 | C11 | C08 | C05 | 1.4° | 0.2° |
| C11 | C04 | C07 | C06 | 3.7° | 0.6° |
| C04 | C11 | C08 | C09 | 177.4° | 180.0° |
| C08 | C11 | C04 | C07 | 3.9° | 0.2° |
| C11 | C08 | C05 | C06 | 1.1° | 0.2° |
| C11 | C08 | C05 | C09 | 178.9° | 179.8° |
| C11 | C08 | C09 | C12 | 35.9° | 66.0° |
| C11 | C08 | C09 | H11 | 149.9° | 178.1° |
| C08 | C11 | C04 | H4 | 154.3° | 179.8° |
| C11 | C08 | C05 | H8 | 153.4° | 180.0° |
| C01 | C07 | OS02 | CL03 | 63.6° | 56.8° |
| C01 | C07 | C04 | OS02 | 123.7° | 125.7° |
| C01 | C07 | OS02 | C05 | 141.5° | 143.6° |
| C01 | C07 | C06 | OS02 | 124.3° | 125.7° |
| C01 | C07 | OS02 | C08 | 176.8° | 179.9° |
| C01 | C07 | OS02 | CL13 | 19.4° | 34.5° |
| C01 | C07 | C04 | C06 | 176.5° | 179.3° |
| C01 | C07 | C06 | C05 | 177.8° | 179.8° |
| C07 | C01 | H5 | H6 | 120.0° | 120.5° |
| C07 | C01 | H5 | H7 | 120.0° | 120.1° |
| C07 | C01 | H6 | H7 | 120.0° | 120.2° |
| C01 | C07 | C04 | H4 | 22.1° | 0.6° |
| C01 | C07 | C06 | H9 | 23.6° | 0.6° |
| CL03 | OS02 | C04 | C05 | 156.7° | 166.6° |
| CL03 | OS02 | C04 | C06 | 166.0° | 156.6° |
| CL03 | OS02 | C04 | C07 | 136.0° | 126.4° |
| CL03 | OS02 | C04 | C08 | 120.6° | 129.5° |
| CL03 | OS02 | C04 | CL13 | 83.9° | 88.4° |
| CL03 | OS02 | C05 | C06 | 143.8° | 108.9° |
| CL03 | OS02 | C05 | C07 | 113.9° | 80.4° |
| CL03 | OS02 | C05 | C08 | 8.5° | 23.8° |
| CL03 | OS02 | C05 | CL13 | 166.8° | 166.6° |
| CL03 | OS02 | C06 | C07 | 9.7° | 13.5° |
| CL03 | OS02 | C06 | C08 | 114.7° | 117.7° |
| CL03 | OS02 | C06 | CL13 | 79.5° | 86.6° |
| CL03 | OS02 | C07 | C08 | 119.6° | 123.3° |
| CL03 | OS02 | C07 | CL13 | 83.0° | 91.3° |
| CL03 | OS02 | C08 | CL13 | 165.8° | 172.1° |
| CL03 | OS02 | C08 | C09 | 64.8° | 75.3° |
| CL03 | OS02 | C04 | H4 | 21.2° | 12.6° |
| CL03 | OS02 | C05 | H8 | 104.4° | 137.9° |
| CL03 | OS02 | C06 | H9 | 104.0° | 100.2° |
| CL03 | OS02 | C11 | H10 | 22.2° | 33.0° |
| C04 | OS02 | C05 | C06 | 66.7° | 65.3° |
| C04 | OS02 | C05 | C07 | 36.7° | 36.8° |
| C04 | OS02 | C05 | C08 | 68.6° | 67.4° |
| C04 | OS02 | C05 | CL13 | 116.1° | 123.0° |
| C04 | OS02 | C06 | C07 | 29.0° | 30.2° |
| C04 | OS02 | C06 | C08 | 75.9° | 73.9° |
| C04 | OS02 | C06 | CL13 | 118.3° | 130.4° |
| C04 | OS02 | C07 | C08 | 67.1° | 65.0° |
| C04 | OS02 | C07 | CL13 | 135.5° | 149.6° |
| C04 | OS02 | C08 | CL13 | 111.8° | 118.1° |
| OS02 | C04 | C07 | H4 | 101.6° | 125.1° |
| C04 | OS02 | C08 | C09 | 147.2° | 145.1° |
| C04 | OS02 | C05 | H8 | 178.5° | 178.4° |
| C04 | OS02 | C06 | H9 | 142.8° | 143.9° |
| C05 | OS02 | C06 | C07 | 131.7° | 132.9° |
| C05 | OS02 | C06 | C08 | 26.8° | 28.7° |
| C05 | OS02 | C06 | CL13 | 139.1° | 127.0° |
| C05 | OS02 | C07 | C08 | 35.3° | 36.3° |
| C05 | OS02 | C07 | CL13 | 122.1° | 109.2° |
| C05 | OS02 | C08 | CL13 | 10.3° | 17.4° |
| OS02 | C05 | C06 | H8 | 99.6° | 124.7° |
| OS02 | C05 | C08 | H8 | 100.4° | 125.1° |
| C05 | OS02 | C08 | C09 | 111.2° | 114.1° |
| C05 | OS02 | C04 | H4 | 177.8° | 179.2° |
| OS02 | C05 | C06 | H9 | 100.2° | 124.7° |
| C05 | OS02 | C11 | H10 | 142.8° | 144.7° |
| C06 | OS02 | C07 | C08 | 64.7° | 64.9° |
| C06 | OS02 | C07 | CL13 | 92.8° | 80.5° |
| C06 | OS02 | C08 | CL13 | 38.0° | 46.1° |
| OS02 | C06 | C07 | H9 | 100.7° | 125.1° |
| C06 | OS02 | C08 | C09 | 138.9° | 142.8° |
| C06 | OS02 | C04 | H4 | 144.9° | 144.0° |
| C06 | OS02 | C11 | H10 | 179.8° | 178.5° |
| C07 | OS02 | C08 | CL13 | 75.4° | 82.1° |
| C07 | OS02 | C08 | C09 | 176.4° | 178.9° |
| OS02 | C07 | C01 | H5 | 180.0° | 58.4° |
| OS02 | C07 | C01 | H6 | 60.0° | 61.6° |
| OS02 | C07 | C01 | H7 | 60.0° | 178.4° |
| C07 | OS02 | C05 | H8 | 141.7° | 141.7° |
| C07 | OS02 | C11 | H10 | 141.9° | 141.7° |
| OS02 | C08 | C09 | C12 | 55.8° | 24.8° |
| OS02 | C08 | C09 | H11 | 58.2° | 91.1° |
| C08 | OS02 | C04 | H4 | 141.7° | 142.1° |
| C08 | OS02 | C06 | H9 | 141.3° | 142.1° |
| CL13 | OS02 | C08 | C09 | 101.0° | 96.8° |
| CL13 | OS02 | C04 | H4 | 62.7° | 75.8° |
| CL13 | OS02 | C05 | H8 | 62.4° | 55.5° |
| CL13 | OS02 | C06 | H9 | 24.5° | 13.5° |
| CL13 | OS02 | C11 | H10 | 104.9° | 136.4° |
| C04 | C07 | C06 | C05 | 1.2° | 0.6° |
| C04 | C07 | C01 | H5 | 91.1° | 148.8° |
| C04 | C07 | C01 | H6 | 29.0° | 28.8° |
| C04 | C07 | C01 | H7 | 149.0° | 91.2° |
| C04 | C07 | C06 | H9 | 153.0° | 179.8° |
| C07 | C04 | C11 | H10 | 156.4° | 179.6° |
| C06 | C05 | C08 | H8 | 154.5° | 179.8° |
| C05 | C06 | C07 | H9 | 154.2° | 179.6° |
| C06 | C05 | C08 | C09 | 180.0° | 180.0° |
| C08 | C05 | C06 | C07 | 1.3° | 0.2° |
| C05 | C08 | C09 | C12 | 142.8° | 114.2° |
| C05 | C08 | C09 | H11 | 28.9° | 1.7° |
| C08 | C05 | C06 | H9 | 155.3° | 179.8° |
| C05 | C08 | C11 | H10 | 153.9° | 180.0° |
| C06 | C07 | C01 | H5 | 92.5° | 31.9° |
| C06 | C07 | C01 | H6 | 147.5° | 152.0° |
| C06 | C07 | C01 | H7 | 27.5° | 88.0° |
| C06 | C07 | C04 | H4 | 154.4° | 179.8° |
| C07 | C06 | C05 | H8 | 153.4° | 179.6° |
| C08 | C09 | C12 | H11 | 114.2° | 115.7° |
| C08 | C09 | C10 | H1 | 180.0° | 68.6° |
| C08 | C09 | C10 | H2 | 60.0° | 171.1° |
| C08 | C09 | C10 | H3 | 60.0° | 51.2° |
| C08 | C09 | C12 | H12 | 47.0° | 51.2° |
| C08 | C09 | C12 | H13 | 73.1° | 171.1° |
| C08 | C09 | C12 | H14 | 166.9° | 68.6° |
| C09 | C08 | C05 | H8 | 25.5° | 0.2° |
| C09 | C08 | C11 | H10 | 24.9° | 0.2° |
| C12 | C09 | C10 | H1 | 49.2° | 59.7° |
| C12 | C09 | C10 | H2 | 70.8° | 60.6° |
| C12 | C09 | C10 | H3 | 169.2° | 179.5° |
| C09 | C12 | H12 | H13 | 120.0° | 120.2° |
| C09 | C12 | H12 | H14 | 120.0° | 120.1° |
| C09 | C12 | H13 | H14 | 120.0° | 120.5° |
| H1 | C10 | H2 | H3 | 120.0° | 119.5° |
| H1 | C10 | C09 | H11 | 63.1° | 175.2° |
| H2 | C10 | C09 | H11 | 176.9° | 54.9° |
| H3 | C10 | C09 | H11 | 57.0° | 65.0° |
| H5 | C01 | H6 | H7 | 120.0° | 119.4° |
| H11 | C09 | C12 | H12 | 67.3° | 64.5° |
| H11 | C09 | C12 | H13 | 172.7° | 55.4° |
| H11 | C09 | C12 | H14 | 52.7° | 175.7° |
| H12 | C12 | H13 | H14 | 120.0° | 119.5° |
| H4 | C04 | C11 | H10 | 1.9° | 0.0° |
| H8 | C05 | C06 | H9 | 0.6° | 0.0° |






