ER7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C | sing | 1.35Å | 1.34Å | |
| C1 | C | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.53Å | |
| N2 | C12 | doub | 1.31Å | 1.35Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | N3 | sing | 1.37Å | 1.45Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.45Å | Aromatic |
| O | C7 | doub | 1.21Å | 1.22Å | |
| N3 | C11 | sing | 1.37Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.47Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C6 | C9 | sing | 1.41Å | 1.51Å | Aromatic |
| N1 | C11 | doub | 1.33Å | 1.35Å | Aromatic |
| C11 | N | sing | 1.34Å | 1.35Å | Aromatic |
| N | C9 | doub | 1.31Å | 1.35Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C | C1 | 119.4° | 119.9° |
| F | C | C13 | 120.0° | 120.0° |
| C | C1 | C2 | 119.7° | 120.3° |
| C1 | C | C13 | 120.6° | 120.1° |
| C | C1 | H2 | 120.2° | 119.8° |
| C1 | C2 | C3 | 120.2° | 120.2° |
| C1 | C2 | H1 | 119.9° | 119.9° |
| C2 | C1 | H2 | 120.1° | 119.9° |
| C | C13 | C4 | 120.2° | 119.9° |
| C | C13 | H7 | 119.9° | 120.1° |
| C2 | C3 | C4 | 120.6° | 119.9° |
| C3 | C2 | H1 | 119.9° | 119.8° |
| C2 | C3 | H8 | 119.7° | 120.1° |
| C13 | C4 | C3 | 118.8° | 119.6° |
| C13 | C4 | C5 | 121.9° | 120.2° |
| C4 | C13 | H7 | 119.9° | 120.1° |
| C3 | C4 | C5 | 119.4° | 120.1° |
| C4 | C3 | H8 | 119.7° | 120.0° |
| C4 | C5 | N3 | 105.8° | 120.8° |
| C4 | C5 | C6 | 107.5° | 120.8° |
| C12 | N2 | N3 | 106.9° | 107.0° |
| N2 | C12 | N1 | 108.2° | 109.6° |
| N2 | C12 | H6 | 125.9° | 125.2° |
| N2 | N3 | C5 | 130.8° | 133.2° |
| N2 | N3 | C11 | 107.9° | 106.5° |
| C12 | N1 | C11 | 109.3° | 109.8° |
| N1 | C12 | H6 | 125.9° | 125.2° |
| N3 | C5 | C6 | 117.3° | 118.5° |
| C5 | N3 | C11 | 121.3° | 120.3° |
| C5 | C6 | C7 | 116.4° | 120.7° |
| C5 | C6 | C9 | 117.2° | 118.6° |
| O | C7 | C6 | 116.2° | 120.0° |
| O | C7 | C8 | 120.5° | 120.0° |
| N3 | C11 | N1 | 107.7° | 107.1° |
| N3 | C11 | N | 122.3° | 120.8° |
| C6 | C7 | C8 | 123.3° | 120.0° |
| C7 | C6 | C9 | 126.3° | 120.7° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C6 | C9 | N | 118.9° | 120.2° |
| C6 | C9 | C10 | 123.6° | 119.9° |
| N1 | C11 | N | 130.0° | 132.1° |
| C11 | N | C9 | 123.0° | 121.6° |
| N | C9 | C10 | 117.5° | 119.9° |
| C9 | C10 | H3 | 109.5° | 109.4° |
| C9 | C10 | H4 | 109.5° | 109.5° |
| C9 | C10 | H5 | 109.5° | 109.5° |
| H3 | C10 | H4 | 109.4° | 109.4° |
| H3 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H11 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C | C1 | C13 | 179.7° | 179.3° |
| F | C | C1 | C2 | 179.9° | 179.7° |
| F | C | C13 | C4 | 180.0° | 180.0° |
| F | C | C1 | H2 | 0.1° | 0.2° |
| F | C | C13 | H7 | 0.0° | 0.8° |
| C | C1 | C2 | H2 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C | C13 | C4 | 0.2° | 0.8° |
| C | C1 | C2 | H1 | 179.9° | 179.7° |
| C1 | C | C13 | H7 | 179.7° | 179.9° |
| C2 | C1 | C | C13 | 0.1° | 0.5° |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.0° | 0.3° |
| C1 | C2 | C3 | H8 | 180.0° | 179.7° |
| C | C13 | C4 | H7 | 180.0° | 179.2° |
| C | C13 | C4 | C3 | 0.2° | 0.5° |
| C | C13 | C4 | C5 | 179.7° | 179.5° |
| C13 | C | C1 | H2 | 179.8° | 179.5° |
| C2 | C3 | C4 | C13 | 0.1° | 0.0° |
| C2 | C3 | C4 | H8 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.6° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C13 | C4 | C3 | C5 | 179.5° | 179.9° |
| C13 | C4 | C5 | N3 | 112.4° | 65.0° |
| C13 | C4 | C5 | C6 | 121.5° | 115.0° |
| C13 | C4 | C3 | H8 | 179.9° | 180.0° |
| C3 | C4 | C5 | N3 | 67.0° | 115.0° |
| C3 | C4 | C5 | C6 | 59.1° | 65.1° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C13 | H7 | 179.8° | 179.7° |
| C4 | C5 | N3 | N2 | 60.4° | 0.1° |
| C4 | C5 | N3 | C6 | 119.8° | 180.0° |
| C4 | C5 | N3 | C11 | 116.8° | 180.0° |
| C4 | C5 | C6 | C7 | 62.7° | 0.0° |
| C4 | C5 | C6 | C9 | 116.4° | 179.9° |
| C5 | C4 | C13 | H7 | 0.3° | 0.3° |
| C5 | C4 | C3 | H8 | 0.4° | 0.1° |
| N2 | C12 | N1 | H6 | 180.0° | 179.9° |
| C12 | N2 | N3 | C5 | 178.4° | 180.0° |
| C12 | N2 | N3 | C11 | 0.8° | 0.1° |
| N2 | C12 | N1 | C11 | 0.1° | 0.0° |
| N3 | N2 | C12 | N1 | 0.5° | 0.0° |
| N2 | N3 | C5 | C11 | 177.3° | 180.0° |
| N2 | N3 | C5 | C6 | 179.7° | 180.0° |
| N2 | N3 | C11 | N1 | 0.8° | 0.1° |
| N2 | N3 | C11 | N | 179.8° | 180.0° |
| N3 | N2 | C12 | H6 | 179.5° | 180.0° |
| C12 | N1 | C11 | N3 | 0.4° | 0.0° |
| C12 | N1 | C11 | N | 179.8° | 179.9° |
| N3 | C5 | C6 | C7 | 178.3° | 180.0° |
| N3 | C5 | C6 | C9 | 2.6° | 0.0° |
| C5 | N3 | C11 | N1 | 178.6° | 180.0° |
| C5 | N3 | C11 | N | 2.0° | 0.1° |
| C5 | C6 | C7 | O | 13.4° | 66.3° |
| C6 | C5 | N3 | C11 | 3.0° | 0.0° |
| C5 | C6 | C7 | C9 | 179.0° | 180.0° |
| C5 | C6 | C7 | C8 | 166.9° | 113.8° |
| C5 | C6 | C9 | N | 1.4° | 0.0° |
| C5 | C6 | C9 | C10 | 179.2° | 179.9° |
| O | C7 | C6 | C8 | 179.7° | 179.9° |
| O | C7 | C6 | C9 | 167.6° | 113.7° |
| O | C7 | C8 | H9 | 0.0° | 84.9° |
| O | C7 | C8 | H10 | 120.0° | 35.2° |
| O | C7 | C8 | H11 | 120.0° | 155.1° |
| N3 | C11 | N1 | N | 179.4° | 179.9° |
| N3 | C11 | N | C9 | 0.5° | 0.1° |
| C7 | C6 | C9 | N | 179.7° | 180.0° |
| C7 | C6 | C9 | C10 | 0.2° | 0.0° |
| C6 | C7 | C8 | H9 | 179.7° | 95.0° |
| C6 | C7 | C8 | H10 | 59.7° | 144.9° |
| C6 | C7 | C8 | H11 | 60.3° | 25.0° |
| C8 | C7 | C6 | C9 | 12.1° | 66.3° |
| C7 | C8 | H9 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H11 | 120.0° | 120.0° |
| C7 | C8 | H10 | H11 | 120.0° | 120.0° |
| C6 | C9 | N | C11 | 0.3° | 0.0° |
| C6 | C9 | N | C10 | 179.5° | 179.9° |
| C6 | C9 | C10 | H3 | 179.5° | 94.6° |
| C6 | C9 | C10 | H4 | 60.5° | 145.4° |
| C6 | C9 | C10 | H5 | 59.5° | 25.4° |
| N1 | C11 | N | C9 | 179.9° | 180.0° |
| C11 | N1 | C12 | H6 | 179.9° | 179.9° |
| C11 | N | C9 | C10 | 179.8° | 180.0° |
| N | C9 | C10 | H3 | 0.0° | 85.4° |
| N | C9 | C10 | H4 | 120.0° | 34.5° |
| N | C9 | C10 | H5 | 120.0° | 154.6° |
| C9 | C10 | H3 | H4 | 120.0° | 119.9° |
| C9 | C10 | H3 | H5 | 120.0° | 120.0° |
| C9 | C10 | H4 | H5 | 120.0° | 120.0° |
| H1 | C2 | C1 | H2 | 0.1° | 0.3° |
| H1 | C2 | C3 | H8 | 0.0° | 0.0° |
| H3 | C10 | H4 | H5 | 120.0° | 120.0° |
| H9 | C8 | H10 | H11 | 120.0° | 120.0° |
