WWP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F16 | C13 | sing | 1.40Å | 1.29Å | |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.38Å | 1.36Å | Aromatic |
| C19 | C10 | doub | 1.38Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | F15 | sing | 1.40Å | 1.34Å | |
| C13 | F14 | sing | 1.40Å | 1.31Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.54Å | |
| C09 | N08 | sing | 1.47Å | 1.42Å | |
| C20 | N08 | sing | 1.34Å | 1.35Å | Aromatic |
| C20 | N21 | doub | 1.31Å | 1.31Å | Aromatic |
| N08 | C07 | sing | 1.38Å | 1.31Å | Aromatic |
| N21 | C02 | sing | 1.34Å | 1.27Å | Aromatic |
| C07 | N06 | doub | 1.32Å | 1.29Å | Aromatic |
| C07 | C03 | sing | 1.41Å | 1.34Å | Aromatic |
| N06 | C05 | sing | 1.33Å | 1.31Å | Aromatic |
| C02 | C03 | doub | 1.41Å | 1.42Å | Aromatic |
| C02 | N01 | sing | 1.37Å | 1.41Å | |
| C03 | N04 | sing | 1.34Å | 1.37Å | Aromatic |
| C05 | N04 | doub | 1.32Å | 1.27Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F16 | C13 | C12 | 107.1° | 109.5° |
| F16 | C13 | F15 | 109.8° | 109.5° |
| F16 | C13 | F14 | 112.2° | 109.5° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C18 | C17 | C12 | 118.3° | 120.0° |
| C18 | C17 | H171 | 120.9° | 120.0° |
| C17 | C18 | H181 | 119.8° | 120.0° |
| C18 | C19 | C10 | 120.8° | 120.0° |
| C19 | C18 | H181 | 119.9° | 120.0° |
| C18 | C19 | H191 | 119.6° | 120.0° |
| C17 | C12 | C13 | 117.7° | 120.0° |
| C17 | C12 | C11 | 121.0° | 120.0° |
| C12 | C17 | H171 | 120.8° | 120.0° |
| C19 | C10 | C11 | 118.6° | 120.0° |
| C19 | C10 | C09 | 118.4° | 120.0° |
| C10 | C19 | H191 | 119.6° | 120.0° |
| C13 | C12 | C11 | 121.3° | 120.0° |
| C12 | C13 | F15 | 111.9° | 109.5° |
| C12 | C13 | F14 | 106.3° | 109.5° |
| C12 | C11 | C10 | 120.9° | 120.0° |
| C12 | C11 | H111 | 119.6° | 120.0° |
| F15 | C13 | F14 | 109.5° | 109.4° |
| C11 | C10 | C09 | 123.0° | 120.0° |
| C10 | C11 | H111 | 119.5° | 120.0° |
| C10 | C09 | N08 | 117.1° | 109.4° |
| C10 | C09 | H091 | 107.5° | 109.5° |
| C10 | C09 | H092 | 107.5° | 109.4° |
| C09 | N08 | C20 | 120.0° | 120.1° |
| C09 | N08 | C07 | 122.4° | 120.1° |
| N08 | C09 | H091 | 107.5° | 109.5° |
| N08 | C09 | H092 | 107.5° | 109.5° |
| N08 | C20 | N21 | 122.9° | 122.4° |
| C20 | N08 | C07 | 117.4° | 119.8° |
| N08 | C20 | H201 | 118.5° | 118.8° |
| C20 | N21 | C02 | 120.0° | 122.0° |
| N21 | C20 | H201 | 118.5° | 118.8° |
| N08 | C07 | N06 | 130.1° | 135.1° |
| N08 | C07 | C03 | 122.2° | 118.4° |
| N21 | C02 | C03 | 121.0° | 119.1° |
| N21 | C02 | N01 | 119.8° | 120.5° |
| N06 | C07 | C03 | 107.7° | 106.5° |
| C07 | N06 | C05 | 106.3° | 108.7° |
| C07 | C03 | C02 | 116.1° | 118.4° |
| C07 | C03 | N04 | 108.4° | 106.4° |
| N06 | C05 | N04 | 114.2° | 110.2° |
| N06 | C05 | H051 | 122.9° | 124.9° |
| C03 | C02 | N01 | 119.1° | 120.4° |
| C02 | C03 | N04 | 135.0° | 135.2° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C03 | N04 | C05 | 102.8° | 108.2° |
| N04 | C05 | H051 | 122.9° | 124.9° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H012 | N01 | H011 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F16 | C13 | C12 | C17 | 61.1° | 120.0° |
| F16 | C13 | C12 | F15 | 120.3° | 120.0° |
| F16 | C13 | C12 | F14 | 120.1° | 120.0° |
| F16 | C13 | C12 | C11 | 120.6° | 60.0° |
| F16 | C13 | F15 | F14 | 123.6° | 120.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.1° |
| C18 | C17 | C12 | H171 | 180.0° | 179.3° |
| C17 | C18 | C19 | C10 | 0.4° | 0.7° |
| C18 | C17 | C12 | C13 | 179.7° | 179.4° |
| C18 | C17 | C12 | C11 | 1.4° | 0.6° |
| C17 | C18 | C19 | H191 | 179.6° | 180.0° |
| C19 | C18 | C17 | C12 | 0.7° | 0.9° |
| C18 | C19 | C10 | H191 | 180.0° | 179.3° |
| C18 | C19 | C10 | C11 | 0.7° | 0.0° |
| C18 | C19 | C10 | C09 | 180.0° | 179.7° |
| C19 | C18 | C17 | H171 | 179.3° | 179.7° |
| C17 | C12 | C13 | C11 | 178.3° | 180.0° |
| C17 | C12 | C13 | F15 | 178.5° | 0.0° |
| C17 | C12 | C13 | F14 | 59.0° | 120.0° |
| C17 | C12 | C11 | C10 | 1.8° | 0.1° |
| C17 | C12 | C11 | H111 | 178.2° | 180.0° |
| C12 | C17 | C18 | H181 | 179.3° | 180.0° |
| C19 | C10 | C11 | C12 | 1.4° | 0.3° |
| C19 | C10 | C11 | C09 | 179.2° | 179.7° |
| C19 | C10 | C09 | N08 | 68.3° | 90.3° |
| C19 | C10 | C09 | H091 | 170.6° | 29.7° |
| C19 | C10 | C09 | H092 | 52.9° | 149.7° |
| C19 | C10 | C11 | H111 | 178.6° | 179.7° |
| C10 | C19 | C18 | H181 | 179.6° | 179.7° |
| C12 | C13 | F15 | F14 | 117.6° | 120.0° |
| C13 | C12 | C11 | C10 | 180.0° | 180.0° |
| C13 | C12 | C17 | H171 | 0.3° | 0.1° |
| C13 | C12 | C11 | H111 | 0.0° | 0.1° |
| C11 | C12 | C13 | F15 | 0.2° | 179.9° |
| C11 | C12 | C13 | F14 | 119.3° | 59.9° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 179.4° | 180.0° |
| C11 | C12 | C17 | H171 | 178.6° | 179.9° |
| C11 | C10 | C09 | N08 | 111.0° | 90.0° |
| C11 | C10 | C09 | H091 | 10.1° | 150.0° |
| C11 | C10 | C09 | H092 | 127.9° | 30.0° |
| C11 | C10 | C19 | H191 | 179.3° | 179.4° |
| C10 | C09 | N08 | H091 | 121.1° | 120.0° |
| C10 | C09 | N08 | H092 | 121.1° | 120.0° |
| C10 | C09 | N08 | C20 | 100.2° | 90.0° |
| C10 | C09 | N08 | C07 | 85.2° | 90.0° |
| C10 | C09 | H091 | H092 | 116.5° | 120.0° |
| C09 | C10 | C11 | H111 | 0.6° | 0.0° |
| C09 | C10 | C19 | H191 | 0.0° | 0.3° |
| C09 | N08 | C20 | C07 | 174.9° | 179.9° |
| C09 | N08 | C20 | N21 | 179.9° | 180.0° |
| C09 | N08 | C07 | N06 | 1.1° | 0.1° |
| C09 | N08 | C07 | C03 | 179.6° | 180.0° |
| C09 | N08 | C20 | H201 | 0.1° | 0.4° |
| N08 | C09 | H091 | H092 | 116.5° | 120.0° |
| N08 | C20 | N21 | H201 | 180.0° | 179.7° |
| N08 | C20 | N21 | C02 | 5.3° | 0.0° |
| C20 | N08 | C07 | N06 | 175.8° | 180.0° |
| C20 | N08 | C07 | C03 | 4.9° | 0.0° |
| C20 | N08 | C09 | H091 | 138.7° | 30.0° |
| C20 | N08 | C09 | H092 | 20.9° | 150.0° |
| N21 | C20 | N08 | C07 | 5.1° | 0.0° |
| C20 | N21 | C02 | C03 | 5.2° | 0.0° |
| C20 | N21 | C02 | N01 | 179.3° | 179.9° |
| N08 | C07 | N06 | C03 | 179.4° | 180.0° |
| N08 | C07 | N06 | C05 | 177.3° | 180.0° |
| N08 | C07 | C03 | C02 | 4.7° | 0.0° |
| N08 | C07 | C03 | N04 | 178.1° | 180.0° |
| C07 | N08 | C20 | H201 | 174.9° | 179.7° |
| C07 | N08 | C09 | H091 | 35.9° | 150.0° |
| C07 | N08 | C09 | H092 | 153.7° | 29.9° |
| N21 | C02 | C03 | C07 | 4.8° | 0.0° |
| N21 | C02 | C03 | N01 | 175.6° | 179.9° |
| N21 | C02 | C03 | N04 | 175.9° | 180.0° |
| C02 | N21 | C20 | H201 | 174.6° | 179.7° |
| N21 | C02 | N01 | H012 | 0.0° | 180.0° |
| N21 | C02 | N01 | H011 | 120.0° | 0.1° |
| N06 | C07 | C03 | C02 | 175.8° | 180.0° |
| N06 | C07 | C03 | N04 | 2.4° | 0.0° |
| C07 | N06 | C05 | N04 | 6.6° | 0.1° |
| C07 | N06 | C05 | H051 | 173.5° | 179.9° |
| C03 | C07 | N06 | C05 | 2.1° | 0.0° |
| C07 | C03 | C02 | N04 | 171.1° | 179.9° |
| C07 | C03 | C02 | N01 | 179.5° | 180.0° |
| C07 | C03 | N04 | C05 | 6.0° | 0.0° |
| N06 | C05 | N04 | C03 | 7.7° | 0.1° |
| N06 | C05 | N04 | H051 | 180.0° | 179.9° |
| C02 | C03 | N04 | C05 | 177.6° | 179.9° |
| C03 | C02 | N01 | H012 | 175.7° | 0.1° |
| C03 | C02 | N01 | H011 | 55.7° | 180.0° |
| N01 | C02 | C03 | N04 | 8.4° | 0.1° |
| C02 | N01 | H012 | H011 | 120.0° | 179.9° |
| C03 | N04 | C05 | H051 | 172.3° | 179.9° |
| H171 | C17 | C18 | H181 | 0.7° | 0.7° |
| H181 | C18 | C19 | H191 | 0.4° | 0.9° |
