RJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | doub | 1.21Å | 1.20Å | |
| C02 | C01 | sing | 1.53Å | 1.56Å | |
| C02 | O03 | sing | 1.45Å | 1.39Å | |
| C04 | O03 | sing | 1.34Å | 1.42Å | |
| C04 | C06 | sing | 1.51Å | 1.56Å | |
| C06 | F07 | sing | 1.40Å | 1.36Å | |
| C06 | C08 | sing | 1.53Å | 1.54Å | |
| O09 | C08 | sing | 1.43Å | 1.37Å | |
| C08 | C10 | sing | 1.51Å | 1.55Å | |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | N14 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | N14 | sing | 1.32Å | 1.31Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| O09 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | O03 | 121.1° | 120.0° |
| O05 | C04 | C06 | 119.6° | 120.1° |
| C01 | C02 | O03 | 108.1° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C01 | C02 | H6 | 109.8° | 109.4° |
| C01 | C02 | H7 | 109.8° | 109.5° |
| C02 | O03 | C04 | 119.3° | 117.0° |
| O03 | C02 | H6 | 109.8° | 109.5° |
| O03 | C02 | H7 | 109.8° | 109.5° |
| O03 | C04 | C06 | 119.3° | 120.0° |
| C04 | C06 | F07 | 110.6° | 109.5° |
| C04 | C06 | C08 | 108.0° | 109.5° |
| C04 | C06 | H8 | 107.9° | 109.5° |
| F07 | C06 | C08 | 111.5° | 109.4° |
| F07 | C06 | H8 | 110.7° | 109.5° |
| C06 | C08 | O09 | 105.9° | 109.4° |
| C06 | C08 | C10 | 114.7° | 109.5° |
| C08 | C06 | H8 | 108.1° | 109.5° |
| C06 | C08 | H9 | 108.0° | 109.5° |
| O09 | C08 | C10 | 110.1° | 109.5° |
| O09 | C08 | H9 | 110.3° | 109.5° |
| C08 | O09 | H12 | 109.5° | 114.0° |
| C08 | C10 | C11 | 121.7° | 120.4° |
| C08 | C10 | C15 | 119.8° | 120.4° |
| C10 | C08 | H9 | 107.9° | 109.5° |
| C10 | C11 | C12 | 118.6° | 118.4° |
| C11 | C10 | C15 | 118.5° | 119.2° |
| C10 | C11 | H10 | 120.7° | 120.8° |
| C11 | C12 | C13 | 119.7° | 119.2° |
| C12 | C11 | H10 | 120.7° | 120.8° |
| C11 | C12 | H11 | 120.2° | 120.4° |
| C10 | C15 | N14 | 121.2° | 120.7° |
| C10 | C15 | H2 | 119.4° | 119.7° |
| C12 | C13 | N14 | 120.4° | 120.8° |
| C12 | C13 | H1 | 119.8° | 119.6° |
| C13 | C12 | H11 | 120.2° | 120.4° |
| C15 | N14 | C13 | 121.6° | 121.7° |
| N14 | C15 | H2 | 119.4° | 119.6° |
| N14 | C13 | H1 | 119.8° | 119.6° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H6 | C02 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | O03 | C02 | 26.2° | 0.1° |
| O05 | C04 | O03 | C06 | 179.9° | 179.9° |
| O05 | C04 | C06 | F07 | 85.8° | 74.9° |
| O05 | C04 | C06 | C08 | 152.0° | 45.0° |
| O05 | C04 | C06 | H8 | 35.4° | 165.0° |
| C01 | C02 | O03 | H6 | 119.8° | 120.0° |
| C01 | C02 | O03 | H7 | 119.8° | 120.0° |
| C01 | C02 | O03 | C04 | 103.0° | 180.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 119.9° |
| C01 | C02 | H6 | H7 | 120.6° | 120.0° |
| C02 | O03 | C04 | C06 | 153.8° | 180.0° |
| O03 | C02 | C01 | H3 | 180.0° | 180.0° |
| O03 | C02 | C01 | H4 | 60.0° | 60.0° |
| O03 | C02 | C01 | H5 | 60.0° | 60.0° |
| O03 | C02 | H6 | H7 | 120.6° | 120.0° |
| O03 | C04 | C06 | F07 | 94.3° | 105.0° |
| O03 | C04 | C06 | C08 | 28.0° | 135.0° |
| C04 | O03 | C02 | H6 | 137.2° | 60.0° |
| C04 | O03 | C02 | H7 | 16.8° | 60.0° |
| O03 | C04 | C06 | H8 | 144.6° | 15.0° |
| C04 | C06 | F07 | C08 | 120.1° | 120.0° |
| C04 | C06 | F07 | H8 | 119.5° | 120.0° |
| C04 | C06 | C08 | H8 | 116.5° | 120.0° |
| C04 | C06 | C08 | O09 | 77.1° | 60.0° |
| C04 | C06 | C08 | C10 | 161.2° | 180.0° |
| C04 | C06 | C08 | H9 | 41.0° | 60.0° |
| F07 | C06 | C08 | H8 | 121.9° | 120.0° |
| F07 | C06 | C08 | O09 | 161.2° | 180.0° |
| F07 | C06 | C08 | C10 | 39.6° | 60.0° |
| F07 | C06 | C08 | H9 | 80.7° | 60.0° |
| C06 | C08 | O09 | C10 | 124.5° | 120.0° |
| C06 | C08 | O09 | H9 | 116.6° | 120.0° |
| C06 | C08 | C10 | H9 | 120.3° | 120.0° |
| C06 | C08 | C10 | C11 | 104.0° | 100.3° |
| C06 | C08 | C10 | C15 | 77.2° | 80.0° |
| C06 | C08 | O09 | H12 | 180.0° | 60.0° |
| O09 | C08 | C10 | H9 | 120.4° | 120.0° |
| O09 | C08 | C10 | C11 | 15.3° | 139.8° |
| O09 | C08 | C10 | C15 | 163.5° | 40.0° |
| O09 | C08 | C06 | H8 | 39.4° | 60.0° |
| C08 | C10 | C11 | C15 | 178.8° | 179.8° |
| C08 | C10 | C11 | C12 | 179.3° | 179.7° |
| C08 | C10 | C15 | N14 | 179.4° | 180.0° |
| C08 | C10 | C15 | H2 | 0.6° | 0.0° |
| C10 | C08 | C06 | H8 | 82.3° | 60.0° |
| C08 | C10 | C11 | H10 | 0.8° | 0.2° |
| C10 | C08 | O09 | H12 | 55.5° | 60.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C15 | N14 | 0.6° | 0.2° |
| C11 | C10 | C15 | H2 | 179.4° | 179.7° |
| C11 | C10 | C08 | H9 | 135.6° | 19.8° |
| C10 | C11 | C12 | H11 | 179.8° | 180.0° |
| C12 | C11 | C10 | C15 | 0.5° | 0.0° |
| C11 | C12 | C13 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | N14 | 0.1° | 0.2° |
| C11 | C12 | C13 | H1 | 179.9° | 179.7° |
| C10 | C15 | N14 | H2 | 180.0° | 180.0° |
| C10 | C15 | N14 | C13 | 0.3° | 0.5° |
| C15 | C10 | C08 | H9 | 43.1° | 160.0° |
| C15 | C10 | C11 | H10 | 179.5° | 180.0° |
| C12 | C13 | N14 | C15 | 0.0° | 0.5° |
| C12 | C13 | N14 | H1 | 180.0° | 179.5° |
| C13 | C12 | C11 | H10 | 179.9° | 180.0° |
| C15 | N14 | C13 | H1 | 180.0° | 180.0° |
| C13 | N14 | C15 | H2 | 179.7° | 179.5° |
| N14 | C13 | C12 | H11 | 179.9° | 179.8° |
| H1 | C13 | C12 | H11 | 0.1° | 0.2° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H3 | C01 | C02 | H6 | 60.2° | 60.0° |
| H3 | C01 | C02 | H7 | 60.2° | 60.0° |
| H4 | C01 | C02 | H6 | 59.8° | 60.0° |
| H4 | C01 | C02 | H7 | 179.7° | 180.0° |
| H5 | C01 | C02 | H6 | 179.8° | 180.0° |
| H5 | C01 | C02 | H7 | 59.7° | 60.0° |
| H8 | C06 | C08 | H9 | 157.4° | 180.0° |
| H9 | C08 | O09 | H12 | 63.4° | 180.0° |
| H10 | C11 | C12 | H11 | 0.1° | 0.0° |
