WLJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.47Å | 1.52Å | |
| C16 | C17 | sing | 1.55Å | 1.52Å | |
| F01 | C02 | sing | 1.35Å | 1.35Å | |
| O10 | C09 | doub | 1.22Å | 1.19Å | |
| C15 | C14 | sing | 1.52Å | 1.52Å | |
| C17 | N11 | sing | 1.45Å | 1.47Å | |
| C09 | N11 | sing | 1.35Å | 1.48Å | |
| C09 | C08 | sing | 1.48Å | 1.56Å | |
| C02 | C08 | doub | 1.40Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| N11 | C12 | sing | 1.48Å | 1.47Å | |
| C08 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.54Å | 1.52Å | |
| C06 | F07 | sing | 1.35Å | 1.36Å | |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 110.4° | 110.3° |
| C16 | C15 | C14 | 111.7° | 114.4° |
| C16 | C15 | H3 | 108.9° | 108.5° |
| C16 | C15 | H4 | 108.9° | 108.3° |
| C15 | C16 | H14 | 109.2° | 109.4° |
| C15 | C16 | H15 | 109.3° | 109.3° |
| C16 | C17 | N11 | 113.9° | 109.7° |
| C16 | C17 | H5 | 108.3° | 109.5° |
| C16 | C17 | H6 | 108.3° | 109.4° |
| C17 | C16 | H14 | 109.3° | 109.3° |
| C17 | C16 | H15 | 109.2° | 109.3° |
| F01 | C02 | C08 | 120.9° | 120.1° |
| F01 | C02 | C03 | 118.3° | 120.1° |
| O10 | C09 | N11 | 117.1° | 120.0° |
| O10 | C09 | C08 | 118.5° | 120.1° |
| C15 | C14 | C13 | 113.0° | 109.3° |
| C14 | C15 | H3 | 108.9° | 108.5° |
| C14 | C15 | H4 | 108.9° | 108.5° |
| C15 | C14 | H12 | 108.6° | 109.5° |
| C15 | C14 | H13 | 108.6° | 109.5° |
| C17 | N11 | C09 | 115.4° | 118.6° |
| C17 | N11 | C12 | 126.2° | 122.7° |
| N11 | C17 | H5 | 108.4° | 109.5° |
| N11 | C17 | H6 | 108.4° | 109.4° |
| N11 | C09 | C08 | 124.4° | 120.0° |
| C09 | N11 | C12 | 118.4° | 118.7° |
| C09 | C08 | C02 | 123.0° | 120.2° |
| C09 | C08 | C06 | 118.8° | 120.2° |
| C08 | C02 | C03 | 120.7° | 119.8° |
| C02 | C08 | C06 | 118.1° | 119.6° |
| C02 | C03 | C04 | 120.3° | 120.2° |
| C02 | C03 | H7 | 119.9° | 119.8° |
| C14 | C13 | C12 | 113.3° | 110.1° |
| C14 | C13 | H1 | 108.5° | 109.4° |
| C14 | C13 | H2 | 108.5° | 109.2° |
| C13 | C14 | H12 | 108.6° | 109.5° |
| C13 | C14 | H13 | 108.6° | 109.5° |
| N11 | C12 | C13 | 112.0° | 112.1° |
| N11 | C12 | H10 | 108.8° | 108.9° |
| N11 | C12 | H11 | 108.8° | 108.9° |
| C08 | C06 | F07 | 119.0° | 120.1° |
| C08 | C06 | C05 | 121.2° | 119.8° |
| C03 | C04 | C05 | 119.4° | 120.4° |
| C04 | C03 | H7 | 119.8° | 119.9° |
| C03 | C04 | H8 | 120.3° | 119.8° |
| C12 | C13 | H1 | 108.5° | 109.4° |
| C12 | C13 | H2 | 108.5° | 109.4° |
| C13 | C12 | H10 | 108.8° | 109.0° |
| C13 | C12 | H11 | 108.8° | 109.0° |
| F07 | C06 | C05 | 119.8° | 120.0° |
| C06 | C05 | C04 | 120.3° | 120.2° |
| C06 | C05 | H9 | 119.9° | 119.9° |
| C05 | C04 | H8 | 120.3° | 119.8° |
| C04 | C05 | H9 | 119.8° | 119.9° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H3 | C15 | H4 | 109.5° | 108.4° |
| H5 | C17 | H6 | 109.4° | 109.4° |
| H10 | C12 | H11 | 109.4° | 108.9° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.4° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H14 | 120.1° | 120.3° |
| C15 | C16 | C17 | H15 | 120.2° | 120.2° |
| C16 | C15 | C14 | H3 | 120.3° | 121.3° |
| C16 | C15 | C14 | H4 | 120.3° | 121.1° |
| C15 | C16 | C17 | N11 | 65.1° | 71.2° |
| C16 | C15 | C14 | C13 | 88.0° | 85.0° |
| C16 | C15 | H3 | H4 | 119.0° | 117.5° |
| C15 | C16 | C17 | H5 | 55.6° | 48.8° |
| C15 | C16 | C17 | H6 | 174.2° | 168.7° |
| C16 | C15 | C14 | H12 | 32.5° | 155.0° |
| C16 | C15 | C14 | H13 | 151.4° | 34.9° |
| C15 | C16 | H14 | H15 | 119.6° | 119.6° |
| C17 | C16 | C15 | C14 | 62.2° | 62.8° |
| C16 | C17 | N11 | H5 | 120.7° | 120.1° |
| C16 | C17 | N11 | H6 | 120.7° | 120.0° |
| C16 | C17 | N11 | C09 | 92.7° | 89.2° |
| C16 | C17 | N11 | C12 | 86.9° | 90.7° |
| C17 | C16 | C15 | H3 | 177.5° | 58.5° |
| C17 | C16 | C15 | H4 | 58.1° | 176.0° |
| C16 | C17 | H5 | H6 | 117.9° | 119.9° |
| C17 | C16 | H14 | H15 | 119.6° | 119.6° |
| F01 | C02 | C08 | C09 | 1.6° | 0.3° |
| F01 | C02 | C08 | C03 | 179.2° | 179.7° |
| F01 | C02 | C08 | C06 | 180.0° | 179.7° |
| F01 | C02 | C03 | C04 | 179.4° | 179.8° |
| F01 | C02 | C03 | H7 | 0.6° | 0.2° |
| O10 | C09 | N11 | C17 | 1.3° | 0.0° |
| O10 | C09 | N11 | C08 | 177.9° | 180.0° |
| O10 | C09 | C08 | C02 | 68.7° | 90.0° |
| O10 | C09 | N11 | C12 | 179.0° | 180.0° |
| O10 | C09 | C08 | C06 | 109.8° | 90.0° |
| C15 | C14 | C13 | H12 | 120.5° | 120.0° |
| C15 | C14 | C13 | H13 | 120.5° | 119.9° |
| C15 | C14 | C13 | C12 | 87.4° | 91.9° |
| C15 | C14 | C13 | H1 | 152.1° | 28.3° |
| C15 | C14 | C13 | H2 | 33.2° | 148.0° |
| C14 | C15 | H3 | H4 | 118.9° | 117.7° |
| C15 | C14 | H12 | H13 | 118.4° | 120.1° |
| C14 | C15 | C16 | H14 | 177.7° | 176.9° |
| C14 | C15 | C16 | H15 | 58.0° | 57.4° |
| C17 | N11 | C09 | C12 | 179.6° | 180.0° |
| C17 | N11 | C09 | C08 | 179.2° | 180.0° |
| C17 | N11 | C12 | C13 | 47.5° | 42.1° |
| N11 | C17 | H5 | H6 | 118.0° | 119.9° |
| C17 | N11 | C12 | H10 | 72.9° | 162.8° |
| C17 | N11 | C12 | H11 | 167.9° | 78.6° |
| N11 | C17 | C16 | H14 | 174.7° | 168.5° |
| N11 | C17 | C16 | H15 | 55.0° | 49.0° |
| N11 | C09 | C08 | C02 | 113.5° | 90.0° |
| N11 | C09 | C08 | C06 | 68.0° | 90.0° |
| C09 | N11 | C12 | C13 | 132.0° | 137.9° |
| C09 | N11 | C17 | H5 | 146.6° | 150.7° |
| C09 | N11 | C17 | H6 | 28.0° | 30.8° |
| C09 | N11 | C12 | H10 | 107.6° | 17.2° |
| C09 | N11 | C12 | H11 | 11.6° | 101.5° |
| C09 | C08 | C02 | C06 | 178.5° | 180.0° |
| C09 | C08 | C02 | C03 | 179.2° | 180.0° |
| C08 | C09 | N11 | C12 | 1.2° | 0.0° |
| C09 | C08 | C06 | F07 | 1.1° | 0.1° |
| C09 | C08 | C06 | C05 | 179.4° | 179.9° |
| C08 | C02 | C03 | C04 | 0.2° | 0.1° |
| C02 | C08 | C06 | F07 | 179.6° | 179.9° |
| C02 | C08 | C06 | C05 | 0.9° | 0.0° |
| C08 | C02 | C03 | H7 | 179.8° | 179.9° |
| C03 | C02 | C08 | C06 | 0.8° | 0.0° |
| C02 | C03 | C04 | H7 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C02 | C03 | C04 | H8 | 179.7° | 180.0° |
| C14 | C13 | C12 | N11 | 28.9° | 40.6° |
| C14 | C13 | C12 | H1 | 120.6° | 120.2° |
| C14 | C13 | C12 | H2 | 120.6° | 120.0° |
| C14 | C13 | H1 | H2 | 118.3° | 119.6° |
| C13 | C14 | C15 | H3 | 151.6° | 36.3° |
| C13 | C14 | C15 | H4 | 32.3° | 153.9° |
| C14 | C13 | C12 | H10 | 149.3° | 80.1° |
| C14 | C13 | C12 | H11 | 91.5° | 161.2° |
| C13 | C14 | H12 | H13 | 118.4° | 120.0° |
| N11 | C12 | C13 | H10 | 120.4° | 120.7° |
| N11 | C12 | C13 | H11 | 120.4° | 120.6° |
| N11 | C12 | C13 | H1 | 149.5° | 79.6° |
| N11 | C12 | C13 | H2 | 91.7° | 160.6° |
| C12 | N11 | C17 | H5 | 33.8° | 29.4° |
| C12 | N11 | C17 | H6 | 152.4° | 149.3° |
| N11 | C12 | H10 | H11 | 118.8° | 118.6° |
| C08 | C06 | F07 | C05 | 179.5° | 179.8° |
| C08 | C06 | C05 | C04 | 0.4° | 0.1° |
| C08 | C06 | C05 | H9 | 179.6° | 179.9° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C03 | C04 | C05 | H8 | 180.0° | 180.0° |
| C03 | C04 | C05 | H9 | 179.8° | 180.0° |
| C12 | C13 | H1 | H2 | 118.3° | 119.8° |
| C13 | C12 | H10 | H11 | 118.8° | 118.8° |
| C12 | C13 | C14 | H12 | 33.1° | 148.1° |
| C12 | C13 | C14 | H13 | 152.1° | 28.0° |
| F07 | C06 | C05 | C04 | 179.9° | 179.9° |
| F07 | C06 | C05 | H9 | 0.1° | 0.1° |
| C06 | C05 | C04 | H9 | 180.0° | 180.0° |
| C06 | C05 | C04 | H8 | 179.8° | 179.9° |
| C05 | C04 | C03 | H7 | 179.7° | 180.0° |
| H1 | C13 | C12 | H10 | 90.1° | 159.7° |
| H1 | C13 | C12 | H11 | 29.0° | 41.0° |
| H1 | C13 | C14 | H12 | 87.4° | 91.7° |
| H1 | C13 | C14 | H13 | 31.6° | 148.2° |
| H2 | C13 | C12 | H10 | 28.7° | 39.9° |
| H2 | C13 | C12 | H11 | 147.9° | 78.8° |
| H2 | C13 | C14 | H12 | 153.7° | 28.0° |
| H2 | C13 | C14 | H13 | 87.3° | 92.1° |
| H3 | C15 | C14 | H12 | 87.9° | 83.7° |
| H3 | C15 | C14 | H13 | 31.1° | 156.2° |
| H3 | C15 | C16 | H14 | 57.4° | 61.7° |
| H3 | C15 | C16 | H15 | 62.3° | 178.7° |
| H4 | C15 | C14 | H12 | 152.8° | 33.9° |
| H4 | C15 | C14 | H13 | 88.3° | 86.2° |
| H4 | C15 | C16 | H14 | 62.0° | 55.8° |
| H4 | C15 | C16 | H15 | 178.3° | 63.8° |
| H5 | C17 | C16 | H14 | 64.6° | 71.4° |
| H5 | C17 | C16 | H15 | 175.7° | 169.1° |
| H6 | C17 | C16 | H14 | 54.0° | 48.4° |
| H6 | C17 | C16 | H15 | 65.7° | 71.1° |
| H7 | C03 | C04 | H8 | 0.3° | 0.0° |
| H8 | C04 | C05 | H9 | 0.2° | 0.0° |
