CW2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C21 | sing | 1.80Å | 1.79Å | |
| CL3 | C21 | sing | 1.80Å | 1.80Å | |
| C21 | C19 | sing | 1.51Å | 1.50Å | |
| N18 | C19 | sing | 1.35Å | 1.34Å | |
| N18 | C17 | sing | 1.46Å | 1.46Å | |
| C19 | O20 | doub | 1.21Å | 1.21Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | N09 | sing | 1.46Å | 1.45Å | |
| N09 | C07 | sing | 1.35Å | 1.33Å | |
| CL6 | C05 | sing | 1.80Å | 1.80Å | |
| C07 | C05 | sing | 1.51Å | 1.50Å | |
| C07 | O08 | doub | 1.21Å | 1.22Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| N09 | H20 | sing | 0.97Å | 1.00Å | |
| N18 | H21 | sing | 0.97Å | 1.00Å | |
| C05 | CL4 | sing | 1.80Å | 1.78Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C21 | CL3 | 115.3° | 109.5° |
| CL2 | C21 | C19 | 110.5° | 109.4° |
| CL2 | C21 | H19 | 107.1° | 109.5° |
| CL3 | C21 | C19 | 106.4° | 109.5° |
| CL3 | C21 | H19 | 107.0° | 109.5° |
| C21 | C19 | N18 | 119.5° | 120.0° |
| C21 | C19 | O20 | 118.4° | 120.0° |
| C19 | C21 | H19 | 110.5° | 109.5° |
| C19 | N18 | C17 | 118.4° | 120.0° |
| N18 | C19 | O20 | 122.0° | 120.0° |
| C19 | N18 | H21 | 120.8° | 120.0° |
| N18 | C17 | C16 | 116.0° | 109.5° |
| N18 | C17 | H17 | 107.8° | 109.4° |
| N18 | C17 | H18 | 107.8° | 109.4° |
| C17 | N18 | H21 | 120.8° | 120.0° |
| C17 | C16 | C15 | 111.7° | 109.5° |
| C17 | C16 | H15 | 108.9° | 109.5° |
| C17 | C16 | H16 | 108.9° | 109.5° |
| C16 | C17 | H17 | 107.8° | 109.5° |
| C16 | C17 | H18 | 107.8° | 109.5° |
| C16 | C15 | C14 | 113.3° | 109.5° |
| C16 | C15 | H13 | 108.5° | 109.5° |
| C16 | C15 | H14 | 108.5° | 109.4° |
| C15 | C16 | H15 | 108.9° | 109.5° |
| C15 | C16 | H16 | 108.9° | 109.4° |
| C15 | C14 | C13 | 108.6° | 109.5° |
| C15 | C14 | H11 | 109.7° | 109.5° |
| C15 | C14 | H12 | 109.7° | 109.5° |
| C14 | C15 | H13 | 108.5° | 109.5° |
| C14 | C15 | H14 | 108.5° | 109.5° |
| C14 | C13 | C12 | 112.1° | 109.5° |
| C14 | C13 | H9 | 108.8° | 109.4° |
| C14 | C13 | H10 | 108.8° | 109.5° |
| C13 | C14 | H11 | 109.7° | 109.4° |
| C13 | C14 | H12 | 109.7° | 109.5° |
| C13 | C12 | C11 | 110.9° | 109.5° |
| C13 | C12 | H7 | 109.1° | 109.5° |
| C13 | C12 | H8 | 109.1° | 109.5° |
| C12 | C13 | H9 | 108.8° | 109.5° |
| C12 | C13 | H10 | 108.8° | 109.5° |
| C12 | C11 | C10 | 112.8° | 109.5° |
| C12 | C11 | H5 | 108.6° | 109.5° |
| C12 | C11 | H6 | 108.6° | 109.4° |
| C11 | C12 | H7 | 109.1° | 109.5° |
| C11 | C12 | H8 | 109.1° | 109.4° |
| C11 | C10 | N09 | 111.2° | 109.5° |
| C11 | C10 | H3 | 109.0° | 109.5° |
| C11 | C10 | H4 | 109.0° | 109.5° |
| C10 | C11 | H5 | 108.6° | 109.5° |
| C10 | C11 | H6 | 108.6° | 109.5° |
| C10 | N09 | C07 | 121.6° | 120.0° |
| N09 | C10 | H3 | 109.1° | 109.4° |
| N09 | C10 | H4 | 109.0° | 109.4° |
| C10 | N09 | H20 | 119.2° | 120.0° |
| N09 | C07 | C05 | 116.5° | 120.0° |
| N09 | C07 | O08 | 123.9° | 120.0° |
| C07 | N09 | H20 | 119.3° | 120.0° |
| CL6 | C05 | C07 | 109.9° | 109.4° |
| CL6 | C05 | H1 | 107.3° | 109.5° |
| CL6 | C05 | CL4 | 111.9° | 109.5° |
| C05 | C07 | O08 | 119.6° | 120.0° |
| C07 | C05 | H1 | 111.0° | 109.5° |
| C07 | C05 | CL4 | 109.1° | 109.5° |
| H1 | C05 | CL4 | 107.6° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.4° |
| H15 | C16 | H16 | 109.4° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C21 | CL3 | C19 | 122.9° | 119.9° |
| CL2 | C21 | CL3 | H19 | 119.0° | 120.0° |
| CL2 | C21 | C19 | H19 | 118.3° | 120.0° |
| CL2 | C21 | C19 | N18 | 48.9° | 175.0° |
| CL2 | C21 | C19 | O20 | 134.3° | 5.0° |
| CL3 | C21 | C19 | H19 | 115.8° | 120.0° |
| CL3 | C21 | C19 | N18 | 77.0° | 55.1° |
| CL3 | C21 | C19 | O20 | 99.8° | 125.0° |
| C21 | C19 | N18 | O20 | 176.7° | 179.9° |
| C21 | C19 | N18 | C17 | 112.6° | 180.0° |
| C21 | C19 | N18 | H21 | 67.4° | 0.1° |
| C19 | N18 | C17 | H21 | 180.0° | 179.9° |
| C19 | N18 | C17 | C16 | 118.3° | 179.9° |
| C19 | N18 | C17 | H17 | 2.7° | 60.0° |
| C19 | N18 | C17 | H18 | 120.8° | 60.0° |
| N18 | C19 | C21 | H19 | 167.2° | 64.9° |
| C17 | N18 | C19 | O20 | 64.1° | 0.0° |
| N18 | C17 | C16 | H17 | 120.9° | 120.0° |
| N18 | C17 | C16 | H18 | 121.0° | 119.9° |
| N18 | C17 | C16 | C15 | 98.1° | 180.0° |
| N18 | C17 | C16 | H15 | 141.6° | 60.0° |
| N18 | C17 | C16 | H16 | 22.3° | 60.0° |
| N18 | C17 | H17 | H18 | 117.0° | 120.0° |
| O20 | C19 | C21 | H19 | 16.0° | 115.0° |
| O20 | C19 | N18 | H21 | 116.0° | 179.9° |
| C17 | C16 | C15 | H15 | 120.3° | 120.0° |
| C17 | C16 | C15 | H16 | 120.4° | 120.0° |
| C17 | C16 | C15 | C14 | 99.7° | 180.0° |
| C17 | C16 | C15 | H13 | 139.8° | 59.9° |
| C17 | C16 | C15 | H14 | 20.9° | 60.0° |
| C17 | C16 | H15 | H16 | 119.0° | 120.0° |
| C16 | C17 | H17 | H18 | 117.0° | 120.0° |
| C16 | C17 | N18 | H21 | 61.7° | 0.0° |
| C16 | C15 | C14 | H13 | 120.6° | 120.0° |
| C16 | C15 | C14 | H14 | 120.6° | 120.0° |
| C16 | C15 | C14 | C13 | 147.2° | 180.0° |
| C16 | C15 | C14 | H11 | 27.4° | 60.0° |
| C16 | C15 | C14 | H12 | 92.9° | 60.0° |
| C16 | C15 | H13 | H14 | 118.3° | 119.9° |
| C15 | C16 | H15 | H16 | 119.0° | 119.9° |
| C15 | C16 | C17 | H17 | 22.9° | 60.0° |
| C15 | C16 | C17 | H18 | 141.0° | 60.1° |
| C15 | C14 | C13 | H11 | 119.9° | 120.0° |
| C15 | C14 | C13 | H12 | 119.8° | 120.0° |
| C15 | C14 | C13 | C12 | 173.8° | 180.0° |
| C15 | C14 | C13 | H9 | 65.8° | 60.0° |
| C15 | C14 | C13 | H10 | 53.4° | 60.0° |
| C15 | C14 | H11 | H12 | 120.4° | 120.1° |
| C14 | C15 | H13 | H14 | 118.2° | 120.0° |
| C14 | C15 | C16 | H15 | 20.6° | 60.0° |
| C14 | C15 | C16 | H16 | 140.0° | 60.0° |
| C14 | C13 | C12 | H9 | 120.4° | 120.0° |
| C14 | C13 | C12 | H10 | 120.4° | 120.0° |
| C14 | C13 | C12 | C11 | 152.2° | 180.0° |
| C14 | C13 | C12 | H7 | 31.9° | 60.0° |
| C14 | C13 | C12 | H8 | 87.6° | 60.0° |
| C14 | C13 | H9 | H10 | 118.8° | 120.0° |
| C13 | C14 | H11 | H12 | 120.4° | 120.0° |
| C13 | C14 | C15 | H13 | 92.2° | 60.0° |
| C13 | C14 | C15 | H14 | 26.6° | 60.0° |
| C13 | C12 | C11 | H7 | 120.2° | 120.1° |
| C13 | C12 | C11 | H8 | 120.2° | 120.0° |
| C13 | C12 | C11 | C10 | 56.8° | 180.0° |
| C13 | C12 | C11 | H5 | 63.7° | 60.0° |
| C13 | C12 | C11 | H6 | 177.3° | 60.0° |
| C13 | C12 | H7 | H8 | 119.3° | 120.0° |
| C12 | C13 | H9 | H10 | 118.8° | 120.1° |
| C12 | C13 | C14 | H11 | 53.9° | 60.0° |
| C12 | C13 | C14 | H12 | 66.4° | 60.0° |
| C12 | C11 | C10 | H5 | 120.5° | 120.0° |
| C12 | C11 | C10 | H6 | 120.5° | 120.0° |
| C12 | C11 | C10 | N09 | 175.6° | 180.0° |
| C12 | C11 | C10 | H3 | 55.4° | 60.1° |
| C12 | C11 | C10 | H4 | 64.1° | 60.0° |
| C12 | C11 | H5 | H6 | 118.5° | 119.9° |
| C11 | C12 | H7 | H8 | 119.3° | 119.9° |
| C11 | C12 | C13 | H9 | 87.4° | 60.0° |
| C11 | C12 | C13 | H10 | 31.7° | 60.0° |
| C11 | C10 | N09 | H3 | 120.3° | 120.0° |
| C11 | C10 | N09 | H4 | 120.2° | 120.0° |
| C11 | C10 | N09 | C07 | 101.4° | 179.9° |
| C11 | C10 | H3 | H4 | 119.2° | 120.1° |
| C10 | C11 | H5 | H6 | 118.5° | 120.0° |
| C10 | C11 | C12 | H7 | 177.0° | 59.9° |
| C10 | C11 | C12 | H8 | 63.5° | 60.0° |
| C11 | C10 | N09 | H20 | 78.6° | 0.0° |
| C10 | N09 | C07 | H20 | 180.0° | 179.9° |
| C10 | N09 | C07 | C05 | 167.0° | 180.0° |
| C10 | N09 | C07 | O08 | 12.9° | 0.0° |
| N09 | C10 | H3 | H4 | 119.2° | 120.0° |
| N09 | C10 | C11 | H5 | 63.9° | 60.0° |
| N09 | C10 | C11 | H6 | 55.1° | 60.0° |
| N09 | C07 | C05 | CL6 | 26.3° | 175.0° |
| N09 | C07 | C05 | O08 | 179.9° | 179.9° |
| N09 | C07 | C05 | H1 | 144.9° | 64.9° |
| C07 | N09 | C10 | H3 | 18.9° | 60.0° |
| C07 | N09 | C10 | H4 | 138.4° | 60.0° |
| N09 | C07 | C05 | CL4 | 96.7° | 55.1° |
| CL6 | C05 | C07 | H1 | 118.6° | 120.0° |
| CL6 | C05 | C07 | CL4 | 123.1° | 120.0° |
| CL6 | C05 | C07 | O08 | 153.8° | 5.0° |
| CL6 | C05 | H1 | CL4 | 120.6° | 120.0° |
| C07 | C05 | H1 | CL4 | 119.3° | 120.0° |
| C05 | C07 | N09 | H20 | 13.0° | 0.1° |
| O08 | C07 | C05 | H1 | 35.2° | 115.0° |
| O08 | C07 | N09 | H20 | 167.1° | 179.9° |
| O08 | C07 | C05 | CL4 | 83.2° | 125.0° |
| H3 | C10 | C11 | H5 | 175.9° | 59.9° |
| H3 | C10 | C11 | H6 | 65.2° | 180.0° |
| H3 | C10 | N09 | H20 | 161.1° | 119.9° |
| H4 | C10 | C11 | H5 | 56.4° | 180.0° |
| H4 | C10 | C11 | H6 | 175.4° | 60.0° |
| H4 | C10 | N09 | H20 | 41.6° | 120.1° |
| H5 | C11 | C12 | H7 | 56.5° | 180.0° |
| H5 | C11 | C12 | H8 | 176.0° | 60.0° |
| H6 | C11 | C12 | H7 | 62.5° | 60.1° |
| H6 | C11 | C12 | H8 | 57.0° | 180.0° |
| H7 | C12 | C13 | H9 | 152.3° | 180.0° |
| H7 | C12 | C13 | H10 | 88.5° | 60.0° |
| H8 | C12 | C13 | H9 | 32.8° | 60.0° |
| H8 | C12 | C13 | H10 | 152.0° | 180.0° |
| H9 | C13 | C14 | H11 | 174.3° | 180.0° |
| H9 | C13 | C14 | H12 | 54.0° | 60.0° |
| H10 | C13 | C14 | H11 | 66.5° | 60.0° |
| H10 | C13 | C14 | H12 | 173.2° | 180.0° |
| H11 | C14 | C15 | H13 | 147.9° | 180.0° |
| H11 | C14 | C15 | H14 | 93.2° | 60.0° |
| H12 | C14 | C15 | H13 | 27.6° | 60.0° |
| H12 | C14 | C15 | H14 | 146.5° | 180.0° |
| H13 | C15 | C16 | H15 | 99.9° | 180.0° |
| H13 | C15 | C16 | H16 | 19.4° | 60.1° |
| H14 | C15 | C16 | H15 | 141.2° | 60.0° |
| H14 | C15 | C16 | H16 | 99.5° | 180.0° |
| H15 | C16 | C17 | H17 | 97.5° | 180.0° |
| H15 | C16 | C17 | H18 | 20.6° | 59.9° |
| H16 | C16 | C17 | H17 | 143.2° | 60.0° |
| H16 | C16 | C17 | H18 | 98.7° | 180.0° |
| H17 | C17 | N18 | H21 | 177.3° | 120.1° |
| H18 | C17 | N18 | H21 | 59.2° | 119.9° |
