S7G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| N1 | C4 | sing | 1.40Å | 1.38Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| C4 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.57Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| N | C2 | sing | 1.46Å | 1.49Å | |
| N | C1 | sing | 1.35Å | 1.40Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C2 | C10 | sing | 1.53Å | 1.57Å | |
| C1 | O | doub | 1.21Å | 1.24Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 120.2° | 120.1° |
| C5 | C6 | C7 | 120.7° | 119.9° |
| C6 | C5 | H2 | 119.9° | 120.0° |
| C5 | C6 | H3 | 119.6° | 120.1° |
| C5 | C4 | N1 | 119.3° | 119.2° |
| C5 | C4 | C9 | 119.6° | 120.0° |
| C4 | C5 | H2 | 119.9° | 119.9° |
| C6 | C7 | C8 | 120.1° | 120.2° |
| C7 | C6 | H3 | 119.7° | 120.0° |
| C6 | C7 | H4 | 120.0° | 119.9° |
| C7 | C8 | C9 | 121.2° | 120.3° |
| C8 | C7 | H4 | 119.9° | 119.9° |
| C7 | C8 | H5 | 119.4° | 119.9° |
| C4 | N1 | C3 | 123.4° | 119.0° |
| N1 | C4 | C9 | 121.2° | 120.8° |
| C4 | N1 | H1 | 105.9° | 120.5° |
| N1 | C3 | C2 | 115.6° | 107.8° |
| C3 | N1 | H1 | 105.9° | 120.5° |
| N1 | C3 | H13 | 107.9° | 109.8° |
| N1 | C3 | H14 | 107.9° | 109.8° |
| C4 | C9 | C8 | 118.2° | 119.5° |
| C4 | C9 | C10 | 122.4° | 121.6° |
| C8 | C9 | C10 | 119.3° | 118.9° |
| C9 | C8 | H5 | 119.4° | 119.8° |
| C3 | C2 | N | 110.8° | 109.6° |
| C3 | C2 | C10 | 112.6° | 108.8° |
| C3 | C2 | H12 | 107.3° | 109.7° |
| C2 | C3 | H13 | 107.9° | 109.8° |
| C2 | C3 | H14 | 107.9° | 109.8° |
| C9 | C10 | C2 | 114.6° | 110.5° |
| C9 | C10 | H6 | 108.1° | 109.3° |
| C9 | C10 | H7 | 108.2° | 109.2° |
| C2 | N | C1 | 121.2° | 120.0° |
| N | C2 | C10 | 110.2° | 109.5° |
| C2 | N | H8 | 119.4° | 120.0° |
| N | C2 | H12 | 108.3° | 109.6° |
| N | C1 | C | 115.8° | 120.0° |
| N | C1 | O | 121.9° | 119.9° |
| C1 | N | H8 | 119.4° | 120.0° |
| C | C1 | O | 122.3° | 120.0° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.5° | 109.5° |
| C2 | C10 | H6 | 108.2° | 109.3° |
| C2 | C10 | H7 | 108.2° | 109.3° |
| C10 | C2 | H12 | 107.4° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.3° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.4° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.9° | 0.1° |
| C6 | C5 | C4 | N1 | 177.9° | 179.8° |
| C6 | C5 | C4 | C9 | 0.9° | 0.2° |
| C5 | C6 | C7 | H4 | 179.1° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C5 | C4 | N1 | C9 | 178.8° | 180.0° |
| C5 | C4 | N1 | C3 | 179.5° | 166.5° |
| C5 | C4 | C9 | C8 | 1.1° | 0.3° |
| C5 | C4 | C9 | C10 | 178.9° | 179.6° |
| C5 | C4 | N1 | H1 | 58.6° | 13.2° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.7° | 0.1° |
| C7 | C6 | C5 | H2 | 179.9° | 180.0° |
| C6 | C7 | C8 | H5 | 179.3° | 180.0° |
| C7 | C8 | C9 | C4 | 0.3° | 0.3° |
| C7 | C8 | C9 | H5 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 179.7° | 179.6° |
| C8 | C7 | C6 | H3 | 179.1° | 180.0° |
| C4 | N1 | C3 | H1 | 121.9° | 179.7° |
| N1 | C4 | C9 | C8 | 177.7° | 179.7° |
| C4 | N1 | C3 | C2 | 19.2° | 44.7° |
| N1 | C4 | C9 | C10 | 2.3° | 0.4° |
| N1 | C4 | C5 | H2 | 2.1° | 0.2° |
| C4 | N1 | C3 | H13 | 140.0° | 74.9° |
| C4 | N1 | C3 | H14 | 101.7° | 164.2° |
| C3 | N1 | C4 | C9 | 0.7° | 13.5° |
| N1 | C3 | C2 | H13 | 120.9° | 119.6° |
| N1 | C3 | C2 | H14 | 120.9° | 119.6° |
| N1 | C3 | C2 | N | 88.6° | 177.0° |
| N1 | C3 | C2 | C10 | 35.4° | 63.2° |
| N1 | C3 | C2 | H12 | 153.3° | 56.7° |
| N1 | C3 | H13 | H14 | 117.2° | 120.9° |
| C4 | C9 | C8 | C10 | 180.0° | 179.9° |
| C4 | C9 | C10 | C2 | 16.0° | 20.6° |
| C9 | C4 | N1 | H1 | 122.6° | 166.8° |
| C9 | C4 | C5 | H2 | 179.1° | 179.8° |
| C4 | C9 | C8 | H5 | 179.7° | 179.8° |
| C4 | C9 | C10 | H6 | 104.7° | 99.6° |
| C4 | C9 | C10 | H7 | 136.8° | 140.8° |
| C8 | C9 | C10 | C2 | 163.9° | 159.5° |
| C9 | C8 | C7 | H4 | 179.3° | 179.9° |
| C8 | C9 | C10 | H6 | 75.3° | 80.2° |
| C8 | C9 | C10 | H7 | 43.2° | 39.3° |
| C3 | C2 | C10 | C9 | 33.5° | 51.3° |
| C3 | C2 | N | C10 | 125.4° | 119.3° |
| C3 | C2 | N | H12 | 117.4° | 120.5° |
| C3 | C2 | N | C1 | 151.0° | 85.7° |
| C3 | C2 | C10 | H12 | 117.9° | 120.0° |
| C2 | C3 | N1 | H1 | 102.7° | 135.6° |
| C3 | C2 | C10 | H6 | 87.2° | 69.0° |
| C3 | C2 | C10 | H7 | 154.3° | 171.5° |
| C3 | C2 | N | H8 | 29.0° | 94.3° |
| C2 | C3 | H13 | H14 | 117.2° | 120.8° |
| C9 | C10 | C2 | N | 90.8° | 171.1° |
| C9 | C10 | C2 | H6 | 120.7° | 120.3° |
| C9 | C10 | C2 | H7 | 120.8° | 120.2° |
| C10 | C9 | C8 | H5 | 0.3° | 0.3° |
| C9 | C10 | H6 | H7 | 117.6° | 119.5° |
| C9 | C10 | C2 | H12 | 151.4° | 68.7° |
| C2 | N | C1 | H8 | 180.0° | 180.0° |
| C2 | N | C1 | C | 179.9° | 180.0° |
| N | C2 | C10 | H12 | 117.8° | 120.2° |
| C2 | N | C1 | O | 0.2° | 0.0° |
| N | C2 | C10 | H6 | 148.5° | 50.8° |
| N | C2 | C10 | H7 | 30.0° | 68.7° |
| N | C2 | C3 | H13 | 32.2° | 63.4° |
| N | C2 | C3 | H14 | 150.5° | 57.4° |
| N | C1 | C | O | 180.0° | 180.0° |
| C1 | N | C2 | C10 | 83.7° | 155.0° |
| N | C1 | C | H9 | 180.0° | 0.0° |
| N | C1 | C | H10 | 60.0° | 120.0° |
| N | C1 | C | H11 | 60.0° | 120.0° |
| C1 | N | C2 | H12 | 33.5° | 34.8° |
| C | C1 | N | H8 | 0.2° | 0.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C2 | C10 | H6 | H7 | 117.6° | 119.6° |
| C10 | C2 | N | H8 | 96.3° | 25.0° |
| C10 | C2 | C3 | H13 | 156.2° | 56.4° |
| C10 | C2 | C3 | H14 | 85.5° | 177.2° |
| O | C1 | N | H8 | 179.8° | 180.0° |
| O | C1 | C | H9 | 0.0° | 180.0° |
| O | C1 | C | H10 | 120.0° | 60.0° |
| O | C1 | C | H11 | 120.0° | 60.0° |
| H1 | N1 | C3 | H13 | 18.1° | 104.8° |
| H1 | N1 | C3 | H14 | 136.4° | 16.1° |
| H2 | C5 | C6 | H3 | 0.1° | 0.0° |
| H3 | C6 | C7 | H4 | 0.9° | 0.0° |
| H4 | C7 | C8 | H5 | 0.7° | 0.0° |
| H6 | C10 | C2 | H12 | 30.7° | 171.0° |
| H7 | C10 | C2 | H12 | 87.8° | 51.5° |
| H8 | N | C2 | H12 | 146.5° | 145.2° |
| H9 | C | H10 | H11 | 119.9° | 120.0° |
| H12 | C2 | C3 | H13 | 85.8° | 176.3° |
| H12 | C2 | C3 | H14 | 32.4° | 62.9° |
