R7J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| F19 | C18 | sing | 1.35Å | 1.35Å | |
| C18 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C11 | sing | 1.48Å | 1.49Å | |
| C11 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.36Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.24Å | |
| C10 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C05 | sing | 1.47Å | 1.45Å | Aromatic |
| C13 | C08 | doub | 1.41Å | 1.41Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.61Å | |
| C04 | C05 | sing | 1.51Å | 1.51Å | |
| C02 | O01 | sing | 1.34Å | 1.25Å | |
| C05 | C06 | doub | 1.34Å | 1.37Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.42Å | Aromatic |
| C08 | O07 | sing | 1.35Å | 1.38Å | Aromatic |
| C06 | O07 | sing | 1.34Å | 1.40Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C18 | 115.8° | 120.2° |
| C17 | C16 | C15 | 120.0° | 120.2° |
| C16 | C17 | H171 | 122.1° | 119.9° |
| C17 | C16 | H161 | 120.0° | 119.9° |
| C17 | C18 | F19 | 116.7° | 120.0° |
| C17 | C18 | C20 | 124.0° | 120.0° |
| C18 | C17 | H171 | 122.1° | 119.9° |
| C16 | C15 | C14 | 124.3° | 119.9° |
| C16 | C15 | H151 | 117.9° | 120.1° |
| C15 | C16 | H161 | 120.0° | 119.9° |
| F19 | C18 | C20 | 119.3° | 120.0° |
| C18 | C20 | C14 | 121.4° | 119.9° |
| C18 | C20 | H201 | 119.3° | 120.0° |
| C15 | C14 | C20 | 114.4° | 119.8° |
| C15 | C14 | C11 | 123.5° | 120.1° |
| C14 | C15 | H151 | 117.8° | 120.0° |
| C20 | C14 | C11 | 122.1° | 120.1° |
| C14 | C20 | H201 | 119.3° | 120.1° |
| C14 | C11 | C12 | 120.0° | 120.0° |
| C14 | C11 | C10 | 124.8° | 120.0° |
| C12 | C11 | C10 | 115.2° | 120.0° |
| C11 | C12 | C13 | 126.5° | 119.5° |
| C11 | C12 | H121 | 116.7° | 120.3° |
| C11 | C10 | C09 | 122.0° | 120.6° |
| C11 | C10 | H101 | 119.0° | 119.7° |
| C12 | C13 | C05 | 136.2° | 134.3° |
| C12 | C13 | C08 | 116.4° | 120.2° |
| C13 | C12 | H121 | 116.8° | 120.2° |
| O03 | C02 | C04 | 116.5° | 120.0° |
| O03 | C02 | O01 | 125.9° | 120.0° |
| C10 | C09 | C08 | 117.9° | 120.1° |
| C09 | C10 | H101 | 119.0° | 119.7° |
| C10 | C09 | H091 | 121.0° | 119.9° |
| C05 | C13 | C08 | 107.3° | 105.5° |
| C13 | C05 | C04 | 129.7° | 126.9° |
| C13 | C05 | C06 | 105.1° | 106.2° |
| C13 | C08 | C09 | 121.9° | 119.5° |
| C13 | C08 | O07 | 109.1° | 107.2° |
| C02 | C04 | C05 | 111.5° | 109.5° |
| C04 | C02 | O01 | 117.5° | 120.0° |
| C02 | C04 | H041 | 108.9° | 109.5° |
| C02 | C04 | H042 | 109.0° | 109.5° |
| C04 | C05 | C06 | 125.0° | 126.9° |
| C05 | C04 | H041 | 109.0° | 109.5° |
| C05 | C04 | H042 | 108.9° | 109.5° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| C05 | C06 | O07 | 111.8° | 110.2° |
| C05 | C06 | H061 | 124.1° | 125.0° |
| C09 | C08 | O07 | 128.9° | 133.2° |
| C08 | C09 | H091 | 121.1° | 119.9° |
| C08 | O07 | C06 | 106.6° | 110.9° |
| O07 | C06 | H061 | 124.1° | 124.9° |
| H041 | C04 | H042 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C16 | C17 | C18 | F19 | 179.9° | 179.9° |
| C16 | C17 | C18 | C20 | 0.2° | 0.3° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C17 | C16 | C15 | H151 | 179.8° | 179.7° |
| C18 | C17 | C16 | C15 | 0.0° | 0.0° |
| C17 | C18 | F19 | C20 | 180.0° | 179.7° |
| C17 | C18 | C20 | C14 | 0.1° | 0.6° |
| C17 | C18 | C20 | H201 | 179.9° | 180.0° |
| C18 | C17 | C16 | H161 | 180.0° | 179.9° |
| C16 | C15 | C14 | H151 | 180.0° | 179.7° |
| C16 | C15 | C14 | C20 | 0.2° | 0.3° |
| C16 | C15 | C14 | C11 | 180.0° | 179.7° |
| C15 | C16 | C17 | H171 | 180.0° | 179.9° |
| F19 | C18 | C20 | C14 | 179.9° | 179.7° |
| F19 | C18 | C17 | H171 | 0.2° | 0.0° |
| F19 | C18 | C20 | H201 | 0.1° | 0.2° |
| C18 | C20 | C14 | C15 | 0.1° | 0.6° |
| C18 | C20 | C14 | H201 | 180.0° | 179.4° |
| C18 | C20 | C14 | C11 | 179.9° | 179.5° |
| C20 | C18 | C17 | H171 | 179.8° | 179.8° |
| C15 | C14 | C20 | C11 | 179.8° | 179.9° |
| C15 | C14 | C11 | C12 | 27.2° | 180.0° |
| C15 | C14 | C11 | C10 | 153.2° | 0.0° |
| C15 | C14 | C20 | H201 | 179.9° | 180.0° |
| C14 | C15 | C16 | H161 | 179.8° | 179.9° |
| C20 | C14 | C11 | C12 | 153.0° | 0.0° |
| C20 | C14 | C11 | C10 | 26.6° | 180.0° |
| C20 | C14 | C15 | H151 | 179.8° | 180.0° |
| C14 | C11 | C12 | C10 | 179.6° | 180.0° |
| C14 | C11 | C12 | C13 | 179.5° | 180.0° |
| C14 | C11 | C10 | C09 | 179.8° | 180.0° |
| C14 | C11 | C10 | H101 | 0.2° | 0.3° |
| C11 | C14 | C15 | H151 | 0.0° | 0.0° |
| C11 | C14 | C20 | H201 | 0.1° | 0.0° |
| C14 | C11 | C12 | H121 | 0.5° | 0.1° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 0.3° | 0.0° |
| C11 | C12 | C13 | C05 | 175.9° | 179.6° |
| C11 | C12 | C13 | C08 | 0.4° | 0.3° |
| C12 | C11 | C10 | H101 | 179.8° | 179.7° |
| C10 | C11 | C12 | C13 | 0.9° | 0.0° |
| C11 | C10 | C09 | H101 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 0.8° | 0.3° |
| C11 | C10 | C09 | H091 | 179.2° | 179.7° |
| C10 | C11 | C12 | H121 | 179.1° | 179.9° |
| C12 | C13 | C05 | C08 | 176.6° | 179.4° |
| C12 | C13 | C05 | C04 | 5.6° | 0.6° |
| C12 | C13 | C05 | C06 | 179.6° | 179.4° |
| C12 | C13 | C08 | C09 | 0.7° | 0.5° |
| C12 | C13 | C08 | O07 | 178.9° | 179.5° |
| O03 | C02 | C04 | O01 | 176.5° | 180.0° |
| O03 | C02 | C04 | C05 | 85.1° | 0.0° |
| O03 | C02 | C04 | H041 | 154.6° | 120.0° |
| O03 | C02 | C04 | H042 | 35.2° | 120.0° |
| O03 | C02 | O01 | H1 | 0.0° | 0.1° |
| C10 | C09 | C08 | C13 | 1.3° | 0.5° |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C10 | C09 | C08 | O07 | 178.2° | 179.5° |
| C13 | C05 | C04 | C02 | 56.4° | 85.0° |
| C13 | C05 | C04 | C06 | 173.9° | 180.0° |
| C05 | C13 | C08 | C09 | 178.1° | 180.0° |
| C05 | C13 | C08 | O07 | 1.6° | 0.0° |
| C13 | C05 | C06 | O07 | 3.5° | 0.0° |
| C13 | C05 | C04 | H041 | 176.7° | 35.0° |
| C13 | C05 | C04 | H042 | 63.9° | 155.0° |
| C13 | C05 | C06 | H061 | 176.5° | 180.0° |
| C05 | C13 | C12 | H121 | 4.1° | 0.4° |
| C08 | C13 | C05 | C04 | 177.8° | 180.0° |
| C08 | C13 | C05 | C06 | 3.0° | 0.0° |
| C13 | C08 | C09 | O07 | 179.5° | 180.0° |
| C13 | C08 | O07 | C06 | 0.5° | 0.0° |
| C13 | C08 | C09 | H091 | 178.7° | 179.4° |
| C08 | C13 | C12 | H121 | 179.6° | 179.7° |
| C02 | C04 | C05 | H041 | 120.3° | 120.0° |
| C02 | C04 | C05 | H042 | 120.3° | 120.0° |
| C02 | C04 | C05 | C06 | 117.4° | 95.0° |
| C02 | C04 | H041 | H042 | 119.1° | 120.0° |
| C04 | C02 | O01 | H1 | 176.1° | 179.9° |
| C05 | C04 | C02 | O01 | 91.3° | 180.0° |
| C04 | C05 | C06 | O07 | 178.6° | 180.0° |
| C05 | C04 | H041 | H042 | 119.1° | 120.0° |
| C04 | C05 | C06 | H061 | 1.4° | 0.1° |
| O01 | C02 | C04 | H041 | 29.0° | 60.0° |
| O01 | C02 | C04 | H042 | 148.4° | 60.0° |
| C05 | C06 | O07 | C08 | 2.6° | 0.0° |
| C05 | C06 | O07 | H061 | 180.0° | 180.0° |
| C06 | C05 | C04 | H041 | 2.8° | 145.0° |
| C06 | C05 | C04 | H042 | 122.3° | 25.1° |
| C09 | C08 | O07 | C06 | 179.9° | 180.0° |
| C08 | C09 | C10 | H101 | 179.2° | 180.0° |
| C08 | O07 | C06 | H061 | 177.4° | 180.0° |
| O07 | C08 | C09 | H091 | 1.8° | 0.5° |
| H101 | C10 | C09 | H091 | 0.8° | 0.0° |
| H151 | C15 | C16 | H161 | 0.2° | 0.2° |
| H171 | C17 | C16 | H161 | 0.0° | 0.0° |
