RE7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| F | C5 | sing | 1.35Å | 1.36Å | |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | N | sing | 1.47Å | 1.50Å | |
| N | C8 | sing | 1.47Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| N2 | C12 | doub | 1.31Å | 1.32Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.35Å | Aromatic |
| C9 | N1 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C10 | sing | 1.35Å | 1.35Å | Aromatic |
| C11 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| N | H16 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 117.8° | 120.0° |
| C4 | C3 | C2 | 121.2° | 120.0° |
| C3 | C4 | H1 | 121.1° | 120.0° |
| C4 | C3 | H11 | 119.4° | 120.0° |
| C4 | C5 | F | 118.6° | 120.0° |
| C4 | C5 | C6 | 123.1° | 120.0° |
| C5 | C4 | H1 | 121.1° | 120.0° |
| F | C5 | C6 | 118.3° | 120.0° |
| C3 | C2 | C1 | 125.3° | 120.0° |
| C3 | C2 | C7 | 118.3° | 120.1° |
| C2 | C3 | H11 | 119.4° | 120.0° |
| C5 | C6 | C7 | 118.2° | 120.0° |
| C5 | C6 | H2 | 120.9° | 120.0° |
| C | C1 | C2 | 121.6° | 109.5° |
| C | C1 | N | 116.6° | 109.5° |
| C | C1 | H12 | 99.1° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.4° |
| C1 | C2 | C7 | 116.4° | 119.9° |
| C2 | C1 | N | 114.4° | 109.5° |
| C2 | C1 | H12 | 99.1° | 109.5° |
| C2 | C7 | C6 | 121.4° | 120.0° |
| C2 | C7 | H3 | 119.3° | 120.0° |
| C7 | C6 | H2 | 120.9° | 120.0° |
| C6 | C7 | H3 | 119.3° | 120.0° |
| C1 | N | C8 | 113.3° | 111.0° |
| N | C1 | H12 | 99.1° | 109.5° |
| C1 | N | H16 | 108.5° | 111.0° |
| N | C8 | C9 | 114.3° | 109.5° |
| N | C8 | H4 | 108.3° | 109.5° |
| N | C8 | H5 | 108.3° | 109.4° |
| C8 | N | H16 | 108.5° | 110.9° |
| C8 | C9 | N1 | 109.3° | 109.5° |
| C9 | C8 | H4 | 108.2° | 109.5° |
| C9 | C8 | H5 | 108.3° | 109.5° |
| C8 | C9 | H6 | 109.5° | 109.5° |
| C8 | C9 | H7 | 109.5° | 109.5° |
| C12 | N2 | N1 | 104.3° | 108.2° |
| N2 | C12 | C11 | 111.9° | 108.2° |
| N2 | C12 | H10 | 124.0° | 125.9° |
| N2 | N1 | C9 | 120.3° | 126.0° |
| N2 | N1 | C10 | 111.9° | 107.9° |
| C9 | N1 | C10 | 127.8° | 126.0° |
| N1 | C9 | H6 | 109.5° | 109.5° |
| N1 | C9 | H7 | 109.5° | 109.5° |
| C12 | C11 | C10 | 105.0° | 107.9° |
| C12 | C11 | H9 | 127.5° | 126.1° |
| C11 | C12 | H10 | 124.1° | 125.9° |
| N1 | C10 | C11 | 107.0° | 107.8° |
| N1 | C10 | H8 | 126.5° | 126.1° |
| C11 | C10 | H8 | 126.5° | 126.1° |
| C10 | C11 | H9 | 127.5° | 126.0° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.5° | 109.4° |
| H14 | C | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | F | 174.5° | 179.9° |
| C4 | C3 | C2 | H11 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 2.8° | 0.1° |
| C4 | C3 | C2 | C1 | 176.7° | 180.0° |
| C4 | C3 | C2 | C7 | 0.3° | 0.0° |
| C4 | C5 | F | C6 | 177.5° | 179.9° |
| C5 | C4 | C3 | C2 | 1.1° | 0.0° |
| C4 | C5 | C6 | C7 | 3.1° | 0.1° |
| C4 | C5 | C6 | H2 | 176.9° | 180.0° |
| C5 | C4 | C3 | H11 | 178.9° | 179.9° |
| F | C5 | C6 | C7 | 174.3° | 180.0° |
| F | C5 | C4 | H1 | 5.5° | 0.3° |
| F | C5 | C6 | H2 | 5.7° | 0.1° |
| C3 | C2 | C1 | C | 101.6° | 100.0° |
| C3 | C2 | C1 | C7 | 176.5° | 180.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.0° |
| C3 | C2 | C1 | N | 109.5° | 140.0° |
| C2 | C3 | C4 | H1 | 178.9° | 179.7° |
| C3 | C2 | C7 | H3 | 179.9° | 180.0° |
| C3 | C2 | C1 | H12 | 5.1° | 20.0° |
| C5 | C6 | C7 | C2 | 1.6° | 0.1° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | H1 | 177.2° | 179.8° |
| C5 | C6 | C7 | H3 | 178.4° | 180.0° |
| C | C1 | C2 | N | 148.9° | 120.0° |
| C | C1 | C2 | H12 | 106.7° | 120.0° |
| C | C1 | C2 | C7 | 81.9° | 80.0° |
| C | C1 | N | H12 | 105.1° | 120.0° |
| C | C1 | N | C8 | 149.5° | 85.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 119.9° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C | C1 | N | H16 | 28.9° | 38.9° |
| C1 | C2 | C7 | C6 | 176.8° | 180.0° |
| C2 | C1 | N | H12 | 104.5° | 120.0° |
| C2 | C1 | N | C8 | 60.0° | 155.0° |
| C1 | C2 | C7 | H3 | 3.2° | 0.0° |
| C1 | C2 | C3 | H11 | 3.3° | 0.0° |
| C2 | C1 | C | H13 | 180.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 60.0° |
| C2 | C1 | C | H15 | 60.0° | 180.0° |
| C2 | C1 | N | H16 | 179.4° | 81.1° |
| C2 | C7 | C6 | H3 | 180.0° | 180.0° |
| C7 | C2 | C1 | N | 66.9° | 40.0° |
| C2 | C7 | C6 | H2 | 178.4° | 180.0° |
| C7 | C2 | C3 | H11 | 179.7° | 180.0° |
| C7 | C2 | C1 | H12 | 171.4° | 160.0° |
| C1 | N | C8 | H16 | 120.6° | 123.9° |
| C1 | N | C8 | C9 | 173.4° | 180.0° |
| C1 | N | C8 | H4 | 52.7° | 60.0° |
| C1 | N | C8 | H5 | 65.9° | 60.0° |
| N | C1 | C | H13 | 31.8° | 180.0° |
| N | C1 | C | H14 | 151.8° | 60.0° |
| N | C1 | C | H15 | 88.2° | 60.0° |
| N | C8 | C9 | H4 | 120.7° | 120.0° |
| N | C8 | C9 | H5 | 120.7° | 120.0° |
| N | C8 | C9 | N1 | 176.5° | 180.0° |
| N | C8 | H4 | H5 | 117.8° | 120.0° |
| N | C8 | C9 | H6 | 63.5° | 60.0° |
| N | C8 | C9 | H7 | 56.6° | 60.0° |
| C8 | N | C1 | H12 | 44.4° | 35.0° |
| C8 | C9 | N1 | N2 | 81.5° | 55.3° |
| C8 | C9 | N1 | H6 | 120.0° | 120.0° |
| C8 | C9 | N1 | H7 | 120.0° | 120.0° |
| C8 | C9 | N1 | C10 | 97.6° | 125.0° |
| C9 | C8 | H4 | H5 | 117.8° | 120.0° |
| C8 | C9 | H6 | H7 | 120.0° | 120.0° |
| C9 | C8 | N | H16 | 66.0° | 56.1° |
| C12 | N2 | N1 | C9 | 178.6° | 179.7° |
| N2 | C12 | C11 | H10 | 180.0° | 180.0° |
| C12 | N2 | N1 | C10 | 0.6° | 0.0° |
| N2 | C12 | C11 | C10 | 0.5° | 0.0° |
| N2 | C12 | C11 | H9 | 179.5° | 180.0° |
| N2 | N1 | C9 | C10 | 179.1° | 179.7° |
| N1 | N2 | C12 | C11 | 0.7° | 0.0° |
| N2 | N1 | C10 | C11 | 0.3° | 0.0° |
| N2 | N1 | C9 | H6 | 38.5° | 64.7° |
| N2 | N1 | C9 | H7 | 158.5° | 175.3° |
| N2 | N1 | C10 | H8 | 179.6° | 179.9° |
| N1 | N2 | C12 | H10 | 179.3° | 180.0° |
| C9 | N1 | C10 | C11 | 178.8° | 179.7° |
| N1 | C9 | C8 | H4 | 55.8° | 60.0° |
| N1 | C9 | C8 | H5 | 62.7° | 60.0° |
| N1 | C9 | H6 | H7 | 120.1° | 120.0° |
| C9 | N1 | C10 | H8 | 1.2° | 0.3° |
| C12 | C11 | C10 | N1 | 0.1° | 0.0° |
| C12 | C11 | C10 | H9 | 180.0° | 180.0° |
| C12 | C11 | C10 | H8 | 179.9° | 179.9° |
| N1 | C10 | C11 | H8 | 180.0° | 179.9° |
| C10 | N1 | C9 | H6 | 142.4° | 115.0° |
| C10 | N1 | C9 | H7 | 22.4° | 5.0° |
| N1 | C10 | C11 | H9 | 179.9° | 180.0° |
| C10 | C11 | C12 | H10 | 179.5° | 180.0° |
| H1 | C4 | C3 | H11 | 1.1° | 0.2° |
| H2 | C6 | C7 | H3 | 1.6° | 0.0° |
| H4 | C8 | C9 | H6 | 175.8° | 180.0° |
| H4 | C8 | C9 | H7 | 64.2° | 60.0° |
| H4 | C8 | N | H16 | 173.3° | 64.0° |
| H5 | C8 | C9 | H6 | 57.2° | 60.0° |
| H5 | C8 | C9 | H7 | 177.3° | 180.0° |
| H5 | C8 | N | H16 | 54.7° | 176.0° |
| H8 | C10 | C11 | H9 | 0.1° | 0.1° |
| H9 | C11 | C12 | H10 | 0.5° | 0.0° |
| H12 | C1 | C | H13 | 73.3° | 60.0° |
| H12 | C1 | C | H14 | 46.7° | 179.9° |
| H12 | C1 | C | H15 | 166.7° | 59.9° |
| H12 | C1 | N | H16 | 76.1° | 158.9° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
