GSY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C14 | sing | 1.43Å | 1.41Å | |
| C14 | C13 | sing | 1.53Å | 1.57Å | |
| C13 | N7 | sing | 1.46Å | 1.46Å | |
| N7 | C5 | sing | 1.39Å | 1.33Å | Aromatic |
| N7 | C8 | sing | 1.36Å | 1.30Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.41Å | |
| C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C6 | O11 | doub | 1.22Å | 1.25Å | |
| C6 | N1 | sing | 1.35Å | 1.41Å | |
| N1 | C2 | sing | 1.36Å | 1.39Å | |
| C2 | N2 | sing | 1.37Å | 1.30Å | |
| C2 | N3 | doub | 1.31Å | 1.36Å | |
| N3 | C4 | sing | 1.35Å | 1.33Å | |
| C4 | N9 | sing | 1.34Å | 1.32Å | Aromatic |
| N9 | C8 | doub | 1.32Å | 1.30Å | Aromatic |
| C8 | S10 | sing | 1.76Å | 1.79Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H21N | sing | 0.97Å | 1.00Å | |
| N2 | H22N | sing | 0.97Å | 1.00Å | |
| S10 | H10 | sing | 1.41Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C14 | C13 | 107.4° | 109.5° |
| C14 | O15 | H15 | 109.5° | 114.0° |
| O15 | C14 | H141 | 110.0° | 109.5° |
| O15 | C14 | H142 | 110.0° | 109.5° |
| C14 | C13 | N7 | 107.7° | 109.5° |
| C13 | C14 | H141 | 110.0° | 109.5° |
| C13 | C14 | H142 | 110.0° | 109.5° |
| C14 | C13 | H131 | 109.9° | 109.5° |
| C14 | C13 | H132 | 109.9° | 109.5° |
| C13 | N7 | C5 | 123.9° | 126.6° |
| C13 | N7 | C8 | 126.5° | 126.6° |
| N7 | C13 | H131 | 110.0° | 109.5° |
| N7 | C13 | H132 | 109.9° | 109.5° |
| C5 | N7 | C8 | 109.5° | 106.8° |
| N7 | C5 | C6 | 134.2° | 134.6° |
| N7 | C5 | C4 | 105.4° | 106.3° |
| N7 | C8 | N9 | 109.0° | 109.6° |
| N7 | C8 | S10 | 129.1° | 125.2° |
| C6 | C5 | C4 | 120.4° | 119.1° |
| C5 | C6 | O11 | 120.7° | 120.7° |
| C5 | C6 | N1 | 117.9° | 118.5° |
| C5 | C4 | N3 | 120.3° | 119.2° |
| C5 | C4 | N9 | 107.1° | 107.3° |
| O11 | C6 | N1 | 121.4° | 120.8° |
| C6 | N1 | C2 | 118.8° | 120.3° |
| C6 | N1 | H1 | 120.6° | 119.9° |
| N1 | C2 | N2 | 120.5° | 119.0° |
| N1 | C2 | N3 | 120.5° | 121.9° |
| C2 | N1 | H1 | 120.6° | 119.9° |
| N2 | C2 | N3 | 119.1° | 119.0° |
| C2 | N2 | H21N | 120.0° | 120.0° |
| C2 | N2 | H22N | 120.0° | 120.0° |
| C2 | N3 | C4 | 122.1° | 120.9° |
| N3 | C4 | N9 | 132.6° | 133.5° |
| C4 | N9 | C8 | 108.8° | 110.0° |
| N9 | C8 | S10 | 121.7° | 125.2° |
| C8 | S10 | H10 | 102.0° | 100.0° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.4° | 109.4° |
| H21N | N2 | H22N | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C14 | C13 | H141 | 119.7° | 120.0° |
| O15 | C14 | C13 | H142 | 119.7° | 120.0° |
| O15 | C14 | C13 | N7 | 80.1° | 180.0° |
| O15 | C14 | H141 | H142 | 120.9° | 120.0° |
| O15 | C14 | C13 | H131 | 39.7° | 60.0° |
| O15 | C14 | C13 | H132 | 160.2° | 59.9° |
| C14 | C13 | N7 | H131 | 119.7° | 120.0° |
| C14 | C13 | N7 | H132 | 119.7° | 120.0° |
| C14 | C13 | N7 | C5 | 73.0° | 90.0° |
| C14 | C13 | N7 | C8 | 109.6° | 90.3° |
| C13 | C14 | O15 | H15 | 180.0° | 179.9° |
| C13 | C14 | H141 | H142 | 121.0° | 120.0° |
| C14 | C13 | H131 | H132 | 120.8° | 119.9° |
| C13 | N7 | C5 | C8 | 177.8° | 179.8° |
| C13 | N7 | C5 | C6 | 1.0° | 0.0° |
| C13 | N7 | C5 | C4 | 179.5° | 180.0° |
| C13 | N7 | C8 | N9 | 178.5° | 179.8° |
| C13 | N7 | C8 | S10 | 3.0° | 0.0° |
| N7 | C13 | C14 | H141 | 160.3° | 60.0° |
| N7 | C13 | C14 | H142 | 39.6° | 60.0° |
| N7 | C13 | H131 | H132 | 120.9° | 120.0° |
| N7 | C5 | C6 | C4 | 179.5° | 179.9° |
| N7 | C5 | C6 | O11 | 0.5° | 0.1° |
| N7 | C5 | C6 | N1 | 179.7° | 180.0° |
| N7 | C5 | C4 | N3 | 178.7° | 180.0° |
| N7 | C5 | C4 | N9 | 0.6° | 0.0° |
| C5 | N7 | C8 | N9 | 3.8° | 0.4° |
| C5 | N7 | C8 | S10 | 179.2° | 179.8° |
| C5 | N7 | C13 | H131 | 167.3° | 30.0° |
| C5 | N7 | C13 | H132 | 46.7° | 150.0° |
| C8 | N7 | C5 | C6 | 176.8° | 179.8° |
| C8 | N7 | C5 | C4 | 2.7° | 0.2° |
| N7 | C8 | N9 | C4 | 3.3° | 0.4° |
| N7 | C8 | N9 | S10 | 175.9° | 179.9° |
| C8 | N7 | C13 | H131 | 10.2° | 149.7° |
| C8 | N7 | C13 | H132 | 130.7° | 29.8° |
| N7 | C8 | S10 | H10 | 175.0° | 90.0° |
| C5 | C6 | O11 | N1 | 179.9° | 179.9° |
| C5 | C6 | N1 | C2 | 2.0° | 0.1° |
| C6 | C5 | C4 | N3 | 0.9° | 0.1° |
| C6 | C5 | C4 | N9 | 179.0° | 180.0° |
| C5 | C6 | N1 | H1 | 178.0° | 180.0° |
| C4 | C5 | C6 | O11 | 179.9° | 180.0° |
| C4 | C5 | C6 | N1 | 0.2° | 0.1° |
| C5 | C4 | N3 | C2 | 0.2° | 0.1° |
| C5 | C4 | N3 | N9 | 177.5° | 179.9° |
| C5 | C4 | N9 | C8 | 1.6° | 0.2° |
| O11 | C6 | N1 | C2 | 178.1° | 180.0° |
| O11 | C6 | N1 | H1 | 1.9° | 0.1° |
| C6 | N1 | C2 | H1 | 180.0° | 179.9° |
| C6 | N1 | C2 | N2 | 177.3° | 180.0° |
| C6 | N1 | C2 | N3 | 2.7° | 0.1° |
| N1 | C2 | N2 | N3 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 1.6° | 0.1° |
| N1 | C2 | N2 | H21N | 180.0° | 0.0° |
| N1 | C2 | N2 | H22N | 0.0° | 180.0° |
| N2 | C2 | N3 | C4 | 178.4° | 180.0° |
| N2 | C2 | N1 | H1 | 2.7° | 0.1° |
| C2 | N2 | H21N | H22N | 180.0° | 180.0° |
| C2 | N3 | C4 | N9 | 177.7° | 180.0° |
| N3 | C2 | N1 | H1 | 177.3° | 180.0° |
| N3 | C2 | N2 | H21N | 0.0° | 180.0° |
| N3 | C2 | N2 | H22N | 180.0° | 0.0° |
| N3 | C4 | N9 | C8 | 176.1° | 179.7° |
| C4 | N9 | C8 | S10 | 179.2° | 179.8° |
| N9 | C8 | S10 | H10 | 0.0° | 89.8° |
| H15 | O15 | C14 | H141 | 60.3° | 60.0° |
| H15 | O15 | C14 | H142 | 60.3° | 59.9° |
| H141 | C14 | C13 | H131 | 80.0° | 180.0° |
| H141 | C14 | C13 | H132 | 40.5° | 60.1° |
| H142 | C14 | C13 | H131 | 159.3° | 60.0° |
| H142 | C14 | C13 | H132 | 80.1° | 180.0° |
