WE2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
| C01 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C01 | C09 | sing | 1.48Å | 1.50Å | |
| C02 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C05 | doub | 1.40Å | 1.42Å | Aromatic |
| C02 | C08 | sing | 1.48Å | 1.46Å | |
| C03 | N06 | sing | 1.32Å | 1.36Å | Aromatic |
| C03 | C07 | sing | 1.51Å | 1.49Å | |
| C04 | N06 | doub | 1.32Å | 1.33Å | Aromatic |
| C04 | C10 | sing | 1.51Å | 1.52Å | |
| C05 | C11 | sing | 1.51Å | 1.51Å | |
| C07 | F14 | sing | 1.40Å | 1.33Å | |
| C07 | F15 | sing | 1.40Å | 1.36Å | |
| C07 | F16 | sing | 1.40Å | 1.36Å | |
| C08 | O12 | sing | 1.35Å | 1.33Å | |
| C08 | O17 | doub | 1.21Å | 1.23Å | |
| C09 | O13 | doub | 1.21Å | 1.25Å | |
| C09 | O20 | sing | 1.35Å | 1.23Å | |
| C10 | F18 | sing | 1.40Å | 1.33Å | |
| C10 | F19 | sing | 1.40Å | 1.31Å | |
| C11 | C21 | sing | 1.53Å | 1.59Å | |
| O12 | C22 | sing | 1.45Å | 1.44Å | |
| C21 | C23 | sing | 1.53Å | 1.54Å | |
| C21 | C24 | sing | 1.53Å | 1.54Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| O20 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C01 | C05 | 118.4° | 119.0° |
| C03 | C01 | C09 | 121.3° | 120.5° |
| C01 | C03 | N06 | 123.5° | 120.9° |
| C01 | C03 | C07 | 123.7° | 119.6° |
| C05 | C01 | C09 | 120.3° | 120.5° |
| C01 | C05 | C02 | 118.1° | 118.1° |
| C01 | C05 | C11 | 121.7° | 120.9° |
| C01 | C09 | O13 | 117.4° | 120.0° |
| C01 | C09 | O20 | 118.1° | 119.9° |
| C04 | C02 | C05 | 118.6° | 119.0° |
| C04 | C02 | C08 | 121.3° | 120.5° |
| C02 | C04 | N06 | 123.8° | 120.9° |
| C02 | C04 | C10 | 123.8° | 119.5° |
| C05 | C02 | C08 | 120.1° | 120.5° |
| C02 | C05 | C11 | 120.2° | 120.9° |
| C02 | C08 | O12 | 113.3° | 120.0° |
| C02 | C08 | O17 | 124.6° | 120.0° |
| N06 | C03 | C07 | 112.8° | 119.6° |
| C03 | N06 | C04 | 117.6° | 122.1° |
| C03 | C07 | F14 | 114.0° | 109.4° |
| C03 | C07 | F15 | 111.6° | 109.5° |
| C03 | C07 | F16 | 111.2° | 109.5° |
| N06 | C04 | C10 | 112.4° | 119.6° |
| C04 | C10 | F18 | 110.0° | 109.5° |
| C04 | C10 | F19 | 111.7° | 109.5° |
| C04 | C10 | H25 | 109.6° | 109.4° |
| C05 | C11 | C21 | 112.9° | 109.5° |
| C05 | C11 | H27 | 108.6° | 109.5° |
| C05 | C11 | H26 | 108.6° | 109.4° |
| F14 | C07 | F15 | 105.9° | 109.5° |
| F14 | C07 | F16 | 107.6° | 109.5° |
| F15 | C07 | F16 | 106.1° | 109.5° |
| O12 | C08 | O17 | 122.0° | 120.0° |
| C08 | O12 | C22 | 117.1° | 117.0° |
| O13 | C09 | O20 | 124.5° | 120.0° |
| C09 | O20 | H1 | 109.5° | 116.9° |
| F18 | C10 | F19 | 99.9° | 109.5° |
| F18 | C10 | H25 | 112.4° | 109.4° |
| F19 | C10 | H25 | 112.9° | 109.5° |
| C11 | C21 | C23 | 110.9° | 109.5° |
| C11 | C21 | C24 | 113.8° | 109.4° |
| C21 | C11 | H27 | 108.6° | 109.5° |
| C21 | C11 | H26 | 108.6° | 109.5° |
| C11 | C21 | H29 | 107.3° | 109.4° |
| O12 | C22 | H30 | 109.5° | 109.4° |
| O12 | C22 | H32 | 109.5° | 109.5° |
| O12 | C22 | H31 | 109.5° | 109.4° |
| C23 | C21 | C24 | 108.9° | 109.5° |
| C23 | C21 | H29 | 107.9° | 109.5° |
| C21 | C23 | H34 | 109.5° | 109.5° |
| C21 | C23 | H35 | 109.5° | 109.4° |
| C21 | C23 | H33 | 109.5° | 109.5° |
| C24 | C21 | H29 | 107.9° | 109.5° |
| C21 | C24 | H36 | 109.5° | 109.5° |
| C21 | C24 | H38 | 109.5° | 109.4° |
| C21 | C24 | H37 | 109.5° | 109.5° |
| H27 | C11 | H26 | 109.5° | 109.5° |
| H30 | C22 | H32 | 109.5° | 109.4° |
| H30 | C22 | H31 | 109.4° | 109.6° |
| H32 | C22 | H31 | 109.4° | 109.5° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H34 | C23 | H33 | 109.4° | 109.5° |
| H35 | C23 | H33 | 109.5° | 109.4° |
| H36 | C24 | H38 | 109.4° | 109.5° |
| H36 | C24 | H37 | 109.5° | 109.5° |
| H38 | C24 | H37 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C01 | C05 | C09 | 177.7° | 179.7° |
| C03 | C01 | C05 | C02 | 1.0° | 0.0° |
| C01 | C03 | N06 | C07 | 178.9° | 180.0° |
| C01 | C03 | N06 | C04 | 0.1° | 0.0° |
| C03 | C01 | C05 | C11 | 178.7° | 180.0° |
| C01 | C03 | C07 | F14 | 156.3° | 90.0° |
| C01 | C03 | C07 | F15 | 83.8° | 150.0° |
| C01 | C03 | C07 | F16 | 34.5° | 30.0° |
| C03 | C01 | C09 | O13 | 68.2° | 90.0° |
| C03 | C01 | C09 | O20 | 111.8° | 90.0° |
| C01 | C05 | C02 | C04 | 1.5° | 0.0° |
| C01 | C05 | C02 | C11 | 177.7° | 180.0° |
| C01 | C05 | C02 | C08 | 179.0° | 180.0° |
| C05 | C01 | C03 | N06 | 0.2° | 0.0° |
| C05 | C01 | C03 | C07 | 179.1° | 180.0° |
| C05 | C01 | C09 | O13 | 109.5° | 89.7° |
| C05 | C01 | C09 | O20 | 70.6° | 90.3° |
| C01 | C05 | C11 | C21 | 103.7° | 90.0° |
| C01 | C05 | C11 | H27 | 16.8° | 150.0° |
| C01 | C05 | C11 | H26 | 135.9° | 30.0° |
| C09 | C01 | C05 | C02 | 176.7° | 179.7° |
| C09 | C01 | C03 | N06 | 177.5° | 179.7° |
| C09 | C01 | C03 | C07 | 1.4° | 0.3° |
| C09 | C01 | C05 | C11 | 1.0° | 0.3° |
| C01 | C09 | O13 | O20 | 179.9° | 180.0° |
| C01 | C09 | O20 | H1 | 179.9° | 180.0° |
| C04 | C02 | C05 | C08 | 177.5° | 179.9° |
| C02 | C04 | N06 | C03 | 0.4° | 0.0° |
| C02 | C04 | N06 | C10 | 179.3° | 180.0° |
| C04 | C02 | C05 | C11 | 179.2° | 180.0° |
| C04 | C02 | C08 | O12 | 68.3° | 89.9° |
| C04 | C02 | C08 | O17 | 108.1° | 90.0° |
| C02 | C04 | C10 | F18 | 24.2° | 150.0° |
| C02 | C04 | C10 | F19 | 134.2° | 29.9° |
| C02 | C04 | C10 | H25 | 99.9° | 90.1° |
| C05 | C02 | C04 | N06 | 1.2° | 0.0° |
| C05 | C02 | C04 | C10 | 179.5° | 180.0° |
| C05 | C02 | C08 | O12 | 114.3° | 90.0° |
| C05 | C02 | C08 | O17 | 69.3° | 90.0° |
| C02 | C05 | C11 | C21 | 73.9° | 90.0° |
| C02 | C05 | C11 | H27 | 165.6° | 30.0° |
| C02 | C05 | C11 | H26 | 46.5° | 150.0° |
| C08 | C02 | C04 | N06 | 178.7° | 180.0° |
| C08 | C02 | C04 | C10 | 2.1° | 0.1° |
| C08 | C02 | C05 | C11 | 3.3° | 0.1° |
| C02 | C08 | O12 | O17 | 176.5° | 180.0° |
| C02 | C08 | O12 | C22 | 171.7° | 180.0° |
| C03 | N06 | C04 | C10 | 179.7° | 180.0° |
| N06 | C03 | C07 | F14 | 24.8° | 90.0° |
| N06 | C03 | C07 | F15 | 95.1° | 30.0° |
| N06 | C03 | C07 | F16 | 146.6° | 150.0° |
| C07 | C03 | N06 | C04 | 178.8° | 180.0° |
| C03 | C07 | F14 | F15 | 123.1° | 120.0° |
| C03 | C07 | F14 | F16 | 123.8° | 120.0° |
| C03 | C07 | F15 | F16 | 121.2° | 120.0° |
| N06 | C04 | C10 | F18 | 156.5° | 30.0° |
| N06 | C04 | C10 | F19 | 46.5° | 150.0° |
| N06 | C04 | C10 | H25 | 79.4° | 90.0° |
| C04 | C10 | F18 | F19 | 117.6° | 120.1° |
| C04 | C10 | F18 | H25 | 122.4° | 120.0° |
| C04 | C10 | F19 | H25 | 124.1° | 120.0° |
| C05 | C11 | C21 | H27 | 120.5° | 120.0° |
| C05 | C11 | C21 | H26 | 120.5° | 120.0° |
| C05 | C11 | C21 | C23 | 73.5° | 175.0° |
| C05 | C11 | C21 | C24 | 163.4° | 65.0° |
| C05 | C11 | H27 | H26 | 118.5° | 120.0° |
| C05 | C11 | C21 | H29 | 44.1° | 54.9° |
| F14 | C07 | F15 | F16 | 114.2° | 120.0° |
| C08 | O12 | C22 | H30 | 180.0° | 60.1° |
| C08 | O12 | C22 | H32 | 60.0° | 180.0° |
| C08 | O12 | C22 | H31 | 60.0° | 60.1° |
| O17 | C08 | O12 | C22 | 4.8° | 0.0° |
| O13 | C09 | O20 | H1 | 0.0° | 0.0° |
| F18 | C10 | F19 | H25 | 119.6° | 120.0° |
| C11 | C21 | C23 | C24 | 125.9° | 120.0° |
| C11 | C21 | C23 | H29 | 117.2° | 120.0° |
| C11 | C21 | C24 | H29 | 118.9° | 119.9° |
| C21 | C11 | H27 | H26 | 118.4° | 120.0° |
| C11 | C21 | C23 | H34 | 180.0° | 60.0° |
| C11 | C21 | C23 | H35 | 60.0° | 180.0° |
| C11 | C21 | C23 | H33 | 60.0° | 60.0° |
| C11 | C21 | C24 | H36 | 180.0° | 60.0° |
| C11 | C21 | C24 | H38 | 60.0° | 180.0° |
| C11 | C21 | C24 | H37 | 60.0° | 60.0° |
| O12 | C22 | H30 | H32 | 120.0° | 119.9° |
| O12 | C22 | H30 | H31 | 120.0° | 120.0° |
| O12 | C22 | H32 | H31 | 120.0° | 119.9° |
| C23 | C21 | C24 | H29 | 116.9° | 120.1° |
| C23 | C21 | C11 | H27 | 47.0° | 55.0° |
| C23 | C21 | C11 | H26 | 166.0° | 65.0° |
| C21 | C23 | H34 | H35 | 120.0° | 120.0° |
| C21 | C23 | H34 | H33 | 120.0° | 120.0° |
| C21 | C23 | H35 | H33 | 120.0° | 120.0° |
| C23 | C21 | C24 | H36 | 55.8° | 180.0° |
| C23 | C21 | C24 | H38 | 64.2° | 60.1° |
| C23 | C21 | C24 | H37 | 175.8° | 60.0° |
| C24 | C21 | C11 | H27 | 76.1° | 175.0° |
| C24 | C21 | C11 | H26 | 42.9° | 55.0° |
| C24 | C21 | C23 | H34 | 54.1° | 60.0° |
| C24 | C21 | C23 | H35 | 174.1° | 60.0° |
| C24 | C21 | C23 | H33 | 65.9° | 180.0° |
| C21 | C24 | H36 | H38 | 120.0° | 120.0° |
| C21 | C24 | H36 | H37 | 120.0° | 120.0° |
| C21 | C24 | H38 | H37 | 120.0° | 120.0° |
| H27 | C11 | C21 | H29 | 164.6° | 65.1° |
| H26 | C11 | C21 | H29 | 76.4° | 174.9° |
| H29 | C21 | C23 | H34 | 62.8° | 180.0° |
| H29 | C21 | C23 | H35 | 57.2° | 60.0° |
| H29 | C21 | C23 | H33 | 177.2° | 60.0° |
| H29 | C21 | C24 | H36 | 61.1° | 59.9° |
| H29 | C21 | C24 | H38 | 178.9° | 60.0° |
| H29 | C21 | C24 | H37 | 58.9° | 179.9° |
| H30 | C22 | H32 | H31 | 119.9° | 120.1° |
| H34 | C23 | H35 | H33 | 120.0° | 120.0° |
| H36 | C24 | H38 | H37 | 120.0° | 120.0° |
