5GC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| N | C4 | doub | 1.31Å | 1.34Å | Aromatic |
| N2 | C4 | sing | 1.40Å | 1.33Å | |
| N1 | C5 | sing | 1.36Å | 1.30Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C5 | C3 | doub | 1.36Å | 1.43Å | Aromatic |
| C5 | S1 | sing | 1.76Å | 1.74Å | |
| C3 | S | sing | 1.76Å | 1.74Å | |
| C6 | S1 | sing | 1.81Å | 1.79Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | S | sing | 1.81Å | 1.79Å | |
| S | O | doub | 1.42Å | 1.44Å | |
| S | O1 | doub | 1.42Å | 1.44Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | N | C4 | 112.1° | 108.4° |
| N | N1 | C5 | 106.9° | 107.9° |
| N | N1 | H4 | 126.6° | 126.1° |
| N | C4 | N2 | 125.1° | 125.9° |
| N | C4 | C3 | 106.0° | 108.3° |
| N2 | C4 | C3 | 128.8° | 125.9° |
| C4 | N2 | H5 | 109.5° | 120.0° |
| C4 | N2 | H6 | 109.5° | 120.0° |
| N1 | C5 | C3 | 110.5° | 107.6° |
| N1 | C5 | S1 | 121.6° | 126.2° |
| C5 | N1 | H4 | 126.5° | 126.0° |
| C4 | C3 | C5 | 104.4° | 107.8° |
| C4 | C3 | S | 127.1° | 126.1° |
| C | C1 | C2 | 113.0° | 109.5° |
| C | C1 | S | 110.1° | 109.5° |
| C | C1 | H7 | 108.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C3 | C5 | S1 | 127.8° | 126.2° |
| C5 | C3 | S | 128.4° | 126.1° |
| C5 | S1 | C6 | 100.1° | 103.0° |
| C3 | S | C1 | 105.5° | 104.5° |
| C3 | S | O | 107.6° | 104.3° |
| C3 | S | O1 | 108.0° | 104.3° |
| S1 | C6 | H1 | 109.5° | 109.5° |
| S1 | C6 | H2 | 109.5° | 109.5° |
| S1 | C6 | H3 | 109.5° | 109.5° |
| C2 | C1 | S | 110.7° | 109.5° |
| C2 | C1 | H7 | 108.5° | 109.4° |
| C1 | C2 | H8 | 109.5° | 109.4° |
| C1 | C2 | H9 | 109.4° | 109.5° |
| C1 | C2 | H10 | 109.5° | 109.5° |
| C1 | S | O | 108.2° | 110.5° |
| C1 | S | O1 | 108.2° | 110.5° |
| S | C1 | H7 | 105.7° | 109.5° |
| O | S | O1 | 118.6° | 121.0° |
| H1 | C6 | H2 | 109.5° | 109.4° |
| H1 | C6 | H3 | 109.4° | 109.5° |
| H2 | C6 | H3 | 109.5° | 109.4° |
| H5 | N2 | H6 | 109.4° | 120.0° |
| H8 | C2 | H9 | 109.4° | 109.5° |
| H8 | C2 | H10 | 109.5° | 109.4° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H11 | C | H12 | 109.4° | 109.5° |
| H11 | C | H13 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | N | C4 | N2 | 179.7° | 179.7° |
| N | N1 | C5 | H4 | 180.0° | 179.6° |
| N1 | N | C4 | C3 | 0.3° | 0.0° |
| N | N1 | C5 | C3 | 0.2° | 0.4° |
| N | N1 | C5 | S1 | 178.0° | 179.9° |
| N | C4 | N2 | C3 | 179.2° | 179.7° |
| C4 | N | N1 | C5 | 0.3° | 0.3° |
| N | C4 | C3 | C5 | 0.2° | 0.3° |
| N | C4 | C3 | S | 177.3° | 179.8° |
| C4 | N | N1 | H4 | 179.7° | 179.9° |
| N | C4 | N2 | H5 | 0.0° | 179.7° |
| N | C4 | N2 | H6 | 120.0° | 0.3° |
| N2 | C4 | C3 | C5 | 179.6° | 180.0° |
| N2 | C4 | C3 | S | 2.0° | 0.0° |
| C4 | N2 | H5 | H6 | 120.0° | 180.0° |
| N1 | C5 | C3 | C4 | 0.0° | 0.4° |
| N1 | C5 | C3 | S1 | 178.0° | 179.5° |
| N1 | C5 | C3 | S | 177.5° | 179.6° |
| N1 | C5 | S1 | C6 | 1.1° | 0.6° |
| C4 | C3 | C5 | S | 177.5° | 180.0° |
| C4 | C3 | C5 | S1 | 178.1° | 179.9° |
| C4 | C3 | S | C1 | 90.9° | 90.0° |
| C4 | C3 | S | O | 24.5° | 153.9° |
| C4 | C3 | S | O1 | 153.6° | 26.1° |
| C3 | C4 | N2 | H5 | 179.2° | 0.0° |
| C3 | C4 | N2 | H6 | 59.3° | 180.0° |
| C | C1 | S | C3 | 53.3° | 180.0° |
| C | C1 | C2 | S | 124.0° | 120.0° |
| C | C1 | C2 | H7 | 120.4° | 120.0° |
| C | C1 | S | H7 | 117.0° | 120.0° |
| C | C1 | S | O | 61.7° | 68.4° |
| C | C1 | S | O1 | 168.6° | 68.4° |
| C | C1 | C2 | H8 | 180.0° | 60.1° |
| C | C1 | C2 | H9 | 60.0° | 59.9° |
| C | C1 | C2 | H10 | 60.0° | 180.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H13 | 120.0° | 120.1° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C3 | C5 | S1 | C6 | 176.7° | 180.0° |
| C5 | C3 | S | C1 | 92.1° | 90.0° |
| C5 | C3 | S | O | 152.5° | 26.1° |
| C5 | C3 | S | O1 | 23.4° | 153.9° |
| C3 | C5 | N1 | H4 | 179.8° | 180.0° |
| S1 | C5 | C3 | S | 0.5° | 0.1° |
| C5 | S1 | C6 | H1 | 180.0° | 60.0° |
| C5 | S1 | C6 | H2 | 60.0° | 60.0° |
| C5 | S1 | C6 | H3 | 60.0° | 180.0° |
| S1 | C5 | N1 | H4 | 2.0° | 0.5° |
| C3 | S | C1 | C2 | 72.4° | 60.0° |
| C3 | S | C1 | O | 115.0° | 111.6° |
| C3 | S | C1 | O1 | 115.4° | 111.6° |
| C3 | S | O | O1 | 122.9° | 116.8° |
| C3 | S | C1 | H7 | 170.3° | 60.0° |
| S1 | C6 | H1 | H2 | 120.0° | 120.0° |
| S1 | C6 | H1 | H3 | 120.0° | 120.1° |
| S1 | C6 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | S | H7 | 117.3° | 120.0° |
| C2 | C1 | S | O | 172.6° | 51.6° |
| C2 | C1 | S | O1 | 43.0° | 171.6° |
| C1 | C2 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | H8 | H10 | 120.0° | 120.0° |
| C1 | C2 | H9 | H10 | 120.0° | 120.1° |
| C2 | C1 | C | H11 | 180.0° | 60.0° |
| C2 | C1 | C | H12 | 60.0° | 180.0° |
| C2 | C1 | C | H13 | 60.0° | 60.0° |
| C1 | S | O | O1 | 123.6° | 131.5° |
| S | C1 | C2 | H8 | 55.9° | 60.0° |
| S | C1 | C2 | H9 | 64.0° | 180.0° |
| S | C1 | C2 | H10 | 176.0° | 60.0° |
| S | C1 | C | H11 | 55.6° | 60.0° |
| S | C1 | C | H12 | 175.6° | 60.0° |
| S | C1 | C | H13 | 64.4° | 180.0° |
| O | S | C1 | H7 | 55.3° | 171.6° |
| O1 | S | C1 | H7 | 74.3° | 51.6° |
| H1 | C6 | H2 | H3 | 120.0° | 120.0° |
| H7 | C1 | C2 | H8 | 59.6° | 180.0° |
| H7 | C1 | C2 | H9 | 179.6° | 60.0° |
| H7 | C1 | C2 | H10 | 60.4° | 60.0° |
| H7 | C1 | C | H11 | 59.6° | 180.0° |
| H7 | C1 | C | H12 | 60.4° | 60.0° |
| H7 | C1 | C | H13 | 179.6° | 59.9° |
| H8 | C2 | H9 | H10 | 120.0° | 120.0° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
