3WG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C13 | sing | 1.80Å | 1.73Å | |
| CL9 | C19 | sing | 1.74Å | 1.61Å | |
| C13 | C19 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.59Å | 1.60Å | |
| C13 | C11 | sing | 1.56Å | 1.59Å | |
| CL4 | C14 | sing | 1.80Å | 1.79Å | |
| CL6 | C16 | sing | 1.80Å | 1.87Å | |
| CL3 | C14 | sing | 1.80Å | 1.81Å | |
| C19 | C18 | doub | 1.37Å | 1.35Å | |
| C14 | C12 | sing | 1.57Å | 1.60Å | |
| C11 | C16 | sing | 1.54Å | 1.53Å | |
| C11 | C10 | sing | 1.55Å | 1.52Å | |
| C16 | C17 | sing | 1.55Å | 1.46Å | |
| C18 | C12 | sing | 1.53Å | 1.55Å | |
| C18 | CL8 | sing | 1.74Å | 1.64Å | |
| C12 | C10 | sing | 1.56Å | 1.57Å | |
| C12 | CL1 | sing | 1.80Å | 1.71Å | |
| C10 | C15 | sing | 1.54Å | 1.51Å | |
| C17 | CL7 | sing | 1.80Å | 1.86Å | |
| C17 | C15 | sing | 1.55Å | 1.47Å | |
| C15 | CL5 | sing | 1.80Å | 1.85Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C13 | C19 | 113.4° | 116.3° |
| CL2 | C13 | C14 | 121.0° | 117.2° |
| CL2 | C13 | C11 | 120.0° | 116.6° |
| CL9 | C19 | C13 | 127.6° | 125.8° |
| CL9 | C19 | C18 | 122.3° | 125.8° |
| C19 | C13 | C14 | 93.8° | 99.8° |
| C19 | C13 | C11 | 104.1° | 103.8° |
| C13 | C19 | C18 | 110.1° | 108.4° |
| C14 | C13 | C11 | 100.4° | 100.4° |
| C13 | C14 | CL4 | 108.6° | 113.0° |
| C13 | C14 | CL3 | 113.4° | 111.8° |
| C13 | C14 | C12 | 96.8° | 93.5° |
| C13 | C11 | C16 | 117.1° | 108.0° |
| C13 | C11 | C10 | 105.0° | 103.5° |
| C13 | C11 | H2 | 109.7° | 113.1° |
| CL4 | C14 | CL3 | 113.2° | 112.1° |
| CL4 | C14 | C12 | 110.4° | 112.5° |
| CL6 | C16 | C11 | 113.7° | 110.4° |
| CL6 | C16 | C17 | 112.4° | 110.5° |
| CL6 | C16 | H4 | 106.5° | 110.5° |
| CL3 | C14 | C12 | 113.2° | 112.5° |
| C19 | C18 | C12 | 109.2° | 107.1° |
| C19 | C18 | CL8 | 122.9° | 127.1° |
| C14 | C12 | C18 | 95.4° | 100.7° |
| C14 | C12 | C10 | 98.9° | 100.5° |
| C14 | C12 | CL1 | 118.3° | 116.6° |
| C16 | C11 | C10 | 103.6° | 106.3° |
| C11 | C16 | C17 | 102.9° | 104.4° |
| C16 | C11 | H2 | 110.5° | 112.6° |
| C11 | C16 | H4 | 110.2° | 110.4° |
| C11 | C10 | C12 | 107.0° | 104.2° |
| C11 | C10 | C15 | 106.4° | 106.3° |
| C11 | C10 | H1 | 109.7° | 112.7° |
| C10 | C11 | H2 | 110.7° | 112.7° |
| C16 | C17 | CL7 | 108.3° | 110.8° |
| C16 | C17 | C15 | 103.5° | 102.7° |
| C17 | C16 | H4 | 111.2° | 110.4° |
| C16 | C17 | H5 | 111.7° | 110.8° |
| C12 | C18 | CL8 | 127.8° | 125.8° |
| C18 | C12 | C10 | 104.3° | 104.1° |
| C18 | C12 | CL1 | 112.8° | 116.3° |
| C10 | C12 | CL1 | 122.8° | 116.3° |
| C12 | C10 | C15 | 114.7° | 108.0° |
| C12 | C10 | H1 | 109.1° | 112.6° |
| C10 | C15 | C17 | 103.0° | 104.4° |
| C10 | C15 | CL5 | 107.7° | 110.5° |
| C15 | C10 | H1 | 109.9° | 112.5° |
| C10 | C15 | H3 | 110.6° | 110.5° |
| CL7 | C17 | C15 | 114.8° | 110.8° |
| CL7 | C17 | H5 | 107.0° | 110.7° |
| C17 | C15 | CL5 | 117.6° | 110.4° |
| C17 | C15 | H3 | 111.1° | 110.5° |
| C15 | C17 | H5 | 111.6° | 110.9° |
| CL5 | C15 | H3 | 106.7° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C13 | C19 | CL9 | 17.6° | 19.6° |
| CL2 | C13 | C19 | C14 | 126.3° | 127.1° |
| CL2 | C13 | C19 | C11 | 132.1° | 129.5° |
| CL2 | C13 | C14 | C11 | 134.7° | 127.4° |
| CL2 | C13 | C14 | CL4 | 59.7° | 59.6° |
| CL2 | C13 | C14 | CL3 | 67.0° | 68.1° |
| CL2 | C13 | C19 | C18 | 163.6° | 159.7° |
| CL2 | C13 | C14 | C12 | 174.0° | 175.9° |
| CL2 | C13 | C11 | C16 | 80.1° | 83.7° |
| CL2 | C13 | C11 | C10 | 165.7° | 163.8° |
| CL2 | C13 | C11 | H2 | 46.8° | 41.5° |
| CL9 | C19 | C13 | C18 | 178.8° | 179.2° |
| CL9 | C19 | C13 | C14 | 143.9° | 146.7° |
| CL9 | C19 | C13 | C11 | 114.4° | 109.9° |
| CL9 | C19 | C18 | C12 | 177.3° | 179.9° |
| CL9 | C19 | C18 | CL8 | 1.4° | 0.7° |
| C19 | C13 | C14 | C11 | 105.1° | 106.1° |
| C19 | C13 | C14 | CL4 | 60.5° | 66.9° |
| C19 | C13 | C14 | CL3 | 172.7° | 165.4° |
| C19 | C13 | C14 | C12 | 53.8° | 49.4° |
| C19 | C13 | C11 | C16 | 48.0° | 45.5° |
| C19 | C13 | C11 | C10 | 66.2° | 66.9° |
| C13 | C19 | C18 | C12 | 3.8° | 0.7° |
| C13 | C19 | C18 | CL8 | 179.8° | 179.9° |
| C19 | C13 | C11 | H2 | 174.9° | 170.8° |
| C13 | C14 | CL4 | CL3 | 126.9° | 127.5° |
| C13 | C14 | CL4 | C12 | 105.0° | 104.4° |
| C13 | C14 | CL3 | C12 | 109.0° | 103.8° |
| C14 | C13 | C19 | C18 | 37.3° | 32.5° |
| C14 | C13 | C11 | C16 | 144.6° | 148.5° |
| C14 | C13 | C11 | C10 | 30.4° | 36.0° |
| C13 | C14 | C12 | C18 | 52.5° | 50.3° |
| C13 | C14 | C12 | C10 | 53.0° | 56.4° |
| C13 | C14 | C12 | CL1 | 172.0° | 177.1° |
| C14 | C13 | C11 | H2 | 88.5° | 86.2° |
| C11 | C13 | C14 | CL4 | 165.6° | 173.0° |
| C13 | C11 | C16 | CL6 | 94.1° | 106.9° |
| C11 | C13 | C14 | CL3 | 67.6° | 59.3° |
| C11 | C13 | C19 | C18 | 64.4° | 70.8° |
| C11 | C13 | C14 | C12 | 51.3° | 56.7° |
| C13 | C11 | C16 | C10 | 115.0° | 110.6° |
| C13 | C11 | C16 | H2 | 126.5° | 125.6° |
| C13 | C11 | C10 | H2 | 118.2° | 122.6° |
| C13 | C11 | C16 | C17 | 144.0° | 134.3° |
| C13 | C11 | C10 | C12 | 3.5° | 0.3° |
| C13 | C11 | C10 | C15 | 126.5° | 113.7° |
| C13 | C11 | C10 | H1 | 114.7° | 122.7° |
| C13 | C11 | C16 | H4 | 25.4° | 15.6° |
| CL4 | C14 | CL3 | C12 | 126.7° | 128.0° |
| CL4 | C14 | C12 | C18 | 60.3° | 66.4° |
| CL4 | C14 | C12 | C10 | 165.7° | 173.1° |
| CL4 | C14 | C12 | CL1 | 59.2° | 60.3° |
| CL6 | C16 | C11 | C17 | 121.9° | 118.7° |
| CL6 | C16 | C11 | H4 | 119.5° | 122.6° |
| CL6 | C16 | C11 | C10 | 150.9° | 142.5° |
| CL6 | C16 | C17 | H4 | 119.3° | 122.6° |
| CL6 | C16 | C17 | CL7 | 70.0° | 84.7° |
| CL6 | C16 | C17 | C15 | 167.7° | 157.0° |
| CL6 | C16 | C11 | H2 | 32.4° | 18.7° |
| CL6 | C16 | C17 | H5 | 47.6° | 38.5° |
| CL3 | C14 | C12 | C18 | 171.6° | 165.7° |
| CL3 | C14 | C12 | C10 | 66.1° | 59.0° |
| CL3 | C14 | C12 | CL1 | 68.9° | 67.5° |
| C19 | C18 | C12 | C14 | 31.4° | 34.2° |
| C19 | C18 | C12 | CL8 | 175.7° | 179.4° |
| C19 | C18 | C12 | C10 | 69.3° | 69.6° |
| C19 | C18 | C12 | CL1 | 155.1° | 161.2° |
| C14 | C12 | C10 | C11 | 35.8° | 36.0° |
| C14 | C12 | C18 | C10 | 100.7° | 103.8° |
| C14 | C12 | C18 | CL1 | 123.8° | 127.0° |
| C14 | C12 | C18 | CL8 | 144.3° | 146.4° |
| C14 | C12 | C10 | CL1 | 132.2° | 126.8° |
| C14 | C12 | C10 | C15 | 153.5° | 148.8° |
| C14 | C12 | C10 | H1 | 82.8° | 86.4° |
| C16 | C11 | C10 | H2 | 118.4° | 123.8° |
| C11 | C16 | C17 | H4 | 117.9° | 118.7° |
| C16 | C11 | C10 | C12 | 119.9° | 113.9° |
| C16 | C11 | C10 | C15 | 3.2° | 0.0° |
| C11 | C16 | C17 | CL7 | 167.2° | 156.6° |
| C11 | C16 | C17 | C15 | 44.9° | 38.3° |
| C16 | C11 | C10 | H1 | 122.0° | 123.7° |
| C11 | C16 | C17 | H5 | 75.2° | 80.2° |
| C10 | C11 | C16 | C17 | 29.0° | 23.8° |
| C11 | C10 | C12 | C18 | 62.2° | 67.9° |
| C11 | C10 | C12 | C15 | 117.7° | 112.7° |
| C11 | C10 | C12 | H1 | 118.6° | 122.5° |
| C11 | C10 | C12 | CL1 | 168.0° | 162.8° |
| C11 | C10 | C15 | H1 | 118.7° | 123.8° |
| C11 | C10 | C15 | C17 | 23.6° | 23.7° |
| C11 | C10 | C15 | CL5 | 148.6° | 142.5° |
| C11 | C10 | C15 | H3 | 95.2° | 95.0° |
| C10 | C11 | C16 | H4 | 89.6° | 94.9° |
| C16 | C17 | C15 | C10 | 42.7° | 38.3° |
| C16 | C17 | CL7 | C15 | 115.0° | 113.3° |
| C16 | C17 | CL7 | H5 | 120.6° | 123.2° |
| C16 | C17 | C15 | H5 | 120.2° | 118.4° |
| C16 | C17 | C15 | CL5 | 160.9° | 157.1° |
| C17 | C16 | C11 | H2 | 89.5° | 100.1° |
| C16 | C17 | C15 | H3 | 75.8° | 80.5° |
| C18 | C12 | C10 | CL1 | 129.8° | 129.3° |
| C18 | C12 | C10 | C15 | 55.5° | 44.8° |
| C18 | C12 | C10 | H1 | 179.2° | 169.6° |
| CL8 | C18 | C12 | C10 | 115.0° | 109.8° |
| CL8 | C18 | C12 | CL1 | 20.5° | 19.5° |
| C12 | C10 | C15 | H1 | 123.3° | 124.9° |
| C12 | C10 | C15 | C17 | 141.7° | 135.1° |
| C12 | C10 | C15 | CL5 | 93.4° | 106.2° |
| C12 | C10 | C11 | H2 | 121.7° | 122.3° |
| C12 | C10 | C15 | H3 | 22.8° | 16.3° |
| CL1 | C12 | C10 | C15 | 74.3° | 84.4° |
| CL1 | C12 | C10 | H1 | 49.4° | 40.4° |
| C10 | C15 | C17 | CL7 | 160.6° | 156.6° |
| C10 | C15 | C17 | CL5 | 118.2° | 118.8° |
| C10 | C15 | C17 | H3 | 118.5° | 118.8° |
| C10 | C15 | CL5 | H3 | 118.8° | 122.5° |
| C15 | C10 | C11 | H2 | 115.3° | 123.8° |
| C10 | C15 | C17 | H5 | 77.5° | 80.1° |
| CL7 | C17 | C15 | H5 | 122.0° | 123.3° |
| CL7 | C17 | C15 | CL5 | 81.2° | 84.6° |
| CL7 | C17 | C15 | H3 | 42.1° | 37.8° |
| CL7 | C17 | C16 | H4 | 49.3° | 37.9° |
| C17 | C15 | CL5 | H3 | 125.5° | 122.5° |
| C17 | C15 | C10 | H1 | 95.1° | 100.0° |
| C15 | C17 | C16 | H4 | 73.0° | 80.4° |
| CL5 | C15 | C10 | H1 | 29.9° | 18.7° |
| CL5 | C15 | C17 | H5 | 40.7° | 38.7° |
| H1 | C10 | C11 | H2 | 3.6° | 0.1° |
| H1 | C10 | C15 | H3 | 146.1° | 141.2° |
| H2 | C11 | C16 | H4 | 151.8° | 141.2° |
| H3 | C15 | C17 | H5 | 164.0° | 161.1° |
| H4 | C16 | C17 | H5 | 166.9° | 161.1° |
