SYG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | O | sing | 1.36Å | 1.35Å | |
| C8 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C2 | sing | 1.47Å | 1.49Å | |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| O | H5 | sing | 0.97Å | 0.95Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 1.01Å | 1.00Å | |
| N | H8 | sing | 1.01Å | 1.00Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 120.0° | 120.1° |
| C6 | C7 | C8 | 120.0° | 119.9° |
| C7 | C6 | H3 | 120.0° | 119.9° |
| C6 | C7 | H4 | 120.0° | 120.0° |
| C6 | C5 | C4 | 120.5° | 120.1° |
| C6 | C5 | H2 | 119.8° | 119.9° |
| C5 | C6 | H3 | 120.0° | 120.0° |
| C7 | C8 | O | 120.4° | 120.0° |
| C7 | C8 | C3 | 120.5° | 119.9° |
| C8 | C7 | H4 | 120.0° | 120.0° |
| C5 | C4 | C3 | 120.4° | 120.1° |
| C5 | C4 | H1 | 119.8° | 120.0° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| O | C8 | C3 | 118.8° | 120.1° |
| C8 | O | H5 | 109.5° | 114.0° |
| C8 | C3 | C4 | 118.4° | 119.9° |
| C8 | C3 | C2 | 119.7° | 120.0° |
| N | C2 | C3 | 111.2° | 109.5° |
| N | C2 | C1 | 112.2° | 109.5° |
| N | C2 | H6 | 108.6° | 109.5° |
| C2 | N | H7 | 109.5° | 111.0° |
| C2 | N | H8 | 109.5° | 111.0° |
| C4 | C3 | C2 | 121.1° | 120.0° |
| C3 | C4 | H1 | 119.8° | 119.9° |
| C3 | C2 | C1 | 108.2° | 109.5° |
| C3 | C2 | H6 | 108.4° | 109.5° |
| C2 | C1 | C | 113.1° | 109.5° |
| C1 | C2 | H6 | 108.1° | 109.5° |
| C2 | C1 | H10 | 108.6° | 109.4° |
| C2 | C1 | H11 | 108.5° | 109.5° |
| C | C1 | H10 | 108.6° | 109.4° |
| C | C1 | H11 | 108.6° | 109.5° |
| C1 | C | H12 | 109.5° | 109.4° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| H7 | N | H8 | 109.5° | 111.0° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.5° | 109.4° |
| H13 | C | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.9° | 0.0° |
| C6 | C7 | C8 | O | 170.8° | 180.0° |
| C6 | C7 | C8 | C3 | 3.4° | 0.0° |
| C7 | C6 | C5 | H2 | 179.1° | 180.0° |
| C5 | C6 | C7 | C8 | 3.2° | 0.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 4.7° | 0.0° |
| C6 | C5 | C4 | H1 | 175.3° | 179.7° |
| C5 | C6 | C7 | H4 | 176.8° | 180.0° |
| C7 | C8 | O | C3 | 174.4° | 180.0° |
| C7 | C8 | C3 | C4 | 0.4° | 0.0° |
| C7 | C8 | C3 | C2 | 169.2° | 179.7° |
| C8 | C7 | C6 | H3 | 176.8° | 180.0° |
| C7 | C8 | O | H5 | 180.0° | 90.1° |
| C5 | C4 | C3 | C8 | 4.4° | 0.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 165.1° | 179.8° |
| C4 | C5 | C6 | H3 | 179.1° | 180.0° |
| O | C8 | C3 | C4 | 174.7° | 180.0° |
| O | C8 | C3 | C2 | 5.1° | 0.2° |
| O | C8 | C7 | H4 | 9.2° | 0.0° |
| C8 | C3 | C2 | N | 64.8° | 159.7° |
| C8 | C3 | C4 | C2 | 169.5° | 179.7° |
| C8 | C3 | C2 | C1 | 58.8° | 80.3° |
| C8 | C3 | C4 | H1 | 175.6° | 179.8° |
| C3 | C8 | C7 | H4 | 176.6° | 180.0° |
| C3 | C8 | O | H5 | 5.6° | 89.9° |
| C8 | C3 | C2 | H6 | 175.9° | 39.7° |
| N | C2 | C3 | C4 | 104.5° | 20.0° |
| N | C2 | C3 | C1 | 123.6° | 120.0° |
| N | C2 | C3 | H6 | 119.3° | 120.0° |
| N | C2 | C1 | H6 | 119.7° | 120.0° |
| N | C2 | C1 | C | 151.7° | 65.0° |
| C2 | N | H7 | H8 | 120.0° | 123.9° |
| N | C2 | C1 | H10 | 31.2° | 54.9° |
| N | C2 | C1 | H11 | 87.7° | 175.0° |
| C4 | C3 | C2 | C1 | 131.9° | 100.0° |
| C3 | C4 | C5 | H2 | 175.3° | 180.0° |
| C4 | C3 | C2 | H6 | 14.8° | 140.0° |
| C3 | C2 | C1 | H6 | 117.3° | 120.0° |
| C3 | C2 | C1 | C | 85.2° | 175.0° |
| C2 | C3 | C4 | H1 | 15.0° | 0.0° |
| C3 | C2 | N | H7 | 180.0° | 60.1° |
| C3 | C2 | N | H8 | 60.0° | 176.0° |
| C3 | C2 | C1 | H10 | 154.2° | 65.1° |
| C3 | C2 | C1 | H11 | 35.3° | 55.0° |
| C2 | C1 | C | H10 | 120.5° | 119.9° |
| C2 | C1 | C | H11 | 120.5° | 120.0° |
| C1 | C2 | N | H7 | 58.7° | 59.9° |
| C1 | C2 | N | H8 | 178.7° | 64.0° |
| C2 | C1 | H10 | H11 | 118.3° | 120.0° |
| C2 | C1 | C | H12 | 180.0° | 60.0° |
| C2 | C1 | C | H13 | 60.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 180.0° |
| C | C1 | C2 | H6 | 32.0° | 55.0° |
| C | C1 | H10 | H11 | 118.4° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.1° |
| H1 | C4 | C5 | H2 | 4.7° | 0.2° |
| H2 | C5 | C6 | H3 | 0.9° | 0.1° |
| H3 | C6 | C7 | H4 | 3.2° | 0.0° |
| H6 | C2 | N | H7 | 60.8° | 179.9° |
| H6 | C2 | N | H8 | 59.2° | 56.0° |
| H6 | C2 | C1 | H10 | 88.5° | 174.9° |
| H6 | C2 | C1 | H11 | 152.6° | 65.0° |
| H10 | C1 | C | H12 | 59.4° | 180.0° |
| H10 | C1 | C | H13 | 179.5° | 60.0° |
| H10 | C1 | C | H14 | 60.5° | 60.1° |
| H11 | C1 | C | H12 | 59.5° | 60.0° |
| H11 | C1 | C | H13 | 60.5° | 179.9° |
| H11 | C1 | C | H14 | 179.5° | 60.0° |
| H12 | C | H13 | H14 | 120.0° | 120.0° |
