GV1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | S1 | sing | 1.75Å | 1.75Å | Aromatic |
| C3 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| S1 | C4 | sing | 1.76Å | 1.72Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C5 | sing | 1.45Å | 1.47Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | N2 | sing | 1.34Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.40Å | Aromatic |
| N2 | C7 | doub | 1.31Å | 1.33Å | Aromatic |
| C6 | N3 | sing | 1.38Å | 1.35Å | |
| C6 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C7 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C8 | sing | 1.47Å | 1.45Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C3 | S1 | 119.2° | 124.3° |
| C10 | C3 | C2 | 127.0° | 124.3° |
| C3 | C10 | H5 | 109.5° | 109.5° |
| C3 | C10 | H6 | 109.5° | 109.5° |
| C3 | C10 | H7 | 109.5° | 109.5° |
| S1 | C3 | C2 | 113.6° | 111.4° |
| C3 | S1 | C4 | 91.0° | 92.1° |
| C3 | C2 | C1 | 122.7° | 122.6° |
| C3 | C2 | C5 | 111.6° | 114.8° |
| S1 | C4 | C5 | 112.6° | 109.7° |
| S1 | C4 | N2 | 123.8° | 131.3° |
| C1 | C2 | C5 | 124.8° | 122.6° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C5 | C4 | 111.1° | 112.0° |
| C2 | C5 | C6 | 131.3° | 130.4° |
| C5 | C4 | N2 | 123.6° | 119.1° |
| C4 | C5 | C6 | 117.4° | 117.6° |
| C4 | N2 | C7 | 114.5° | 121.1° |
| C5 | C6 | N3 | 123.3° | 120.6° |
| C5 | C6 | N1 | 118.3° | 118.9° |
| N2 | C7 | N1 | 127.1° | 122.2° |
| N2 | C7 | H1 | 116.5° | 118.9° |
| N3 | C6 | N1 | 118.4° | 120.5° |
| C6 | N3 | C9 | 119.9° | 111.0° |
| C6 | N3 | C8 | 122.8° | 111.0° |
| C6 | N1 | C7 | 119.1° | 121.2° |
| N1 | C7 | H1 | 116.5° | 118.9° |
| C9 | N3 | C8 | 117.1° | 111.0° |
| N3 | C9 | H11 | 109.5° | 109.5° |
| N3 | C9 | H12 | 109.5° | 109.5° |
| N3 | C9 | H13 | 109.5° | 109.5° |
| N3 | C8 | H2 | 109.5° | 109.4° |
| N3 | C8 | H3 | 109.5° | 109.4° |
| N3 | C8 | H4 | 109.5° | 109.5° |
| H2 | C8 | H3 | 109.5° | 109.4° |
| H2 | C8 | H4 | 109.4° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.4° |
| H5 | C10 | H7 | 109.4° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.4° |
| H8 | C1 | H10 | 109.4° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| H11 | C9 | H13 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C3 | S1 | C2 | 175.7° | 180.0° |
| C10 | C3 | S1 | C4 | 174.2° | 180.0° |
| C10 | C3 | C2 | C1 | 6.4° | 0.0° |
| C10 | C3 | C2 | C5 | 175.7° | 180.0° |
| C3 | C10 | H5 | H6 | 120.0° | 120.0° |
| C3 | C10 | H5 | H7 | 120.0° | 120.0° |
| C3 | C10 | H6 | H7 | 120.0° | 120.0° |
| S1 | C3 | C2 | C1 | 169.0° | 180.0° |
| S1 | C3 | C2 | C5 | 0.4° | 0.0° |
| C3 | S1 | C4 | C5 | 3.1° | 0.0° |
| C3 | S1 | C4 | N2 | 176.8° | 180.0° |
| S1 | C3 | C10 | H5 | 0.0° | 0.0° |
| S1 | C3 | C10 | H6 | 120.0° | 120.0° |
| S1 | C3 | C10 | H7 | 120.0° | 120.0° |
| C2 | C3 | S1 | C4 | 1.5° | 0.0° |
| C3 | C2 | C1 | C5 | 167.9° | 180.0° |
| C3 | C2 | C5 | C4 | 2.7° | 0.1° |
| C3 | C2 | C5 | C6 | 176.7° | 180.0° |
| C2 | C3 | C10 | H5 | 175.1° | 180.0° |
| C2 | C3 | C10 | H6 | 55.1° | 60.0° |
| C2 | C3 | C10 | H7 | 64.9° | 60.0° |
| C3 | C2 | C1 | H8 | 84.2° | 95.3° |
| C3 | C2 | C1 | H9 | 155.8° | 24.7° |
| C3 | C2 | C1 | H10 | 35.8° | 144.7° |
| S1 | C4 | C5 | C2 | 3.9° | 0.1° |
| S1 | C4 | C5 | N2 | 179.9° | 179.9° |
| S1 | C4 | C5 | C6 | 178.8° | 180.0° |
| S1 | C4 | N2 | C7 | 179.4° | 180.0° |
| C1 | C2 | C5 | C4 | 166.4° | 179.9° |
| C1 | C2 | C5 | C6 | 7.6° | 0.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C5 | C4 | C6 | 174.9° | 179.9° |
| C2 | C5 | C4 | N2 | 176.0° | 180.0° |
| C2 | C5 | C6 | N3 | 8.8° | 0.0° |
| C2 | C5 | C6 | N1 | 173.9° | 180.0° |
| C5 | C2 | C1 | H8 | 83.7° | 84.7° |
| C5 | C2 | C1 | H9 | 36.3° | 155.3° |
| C5 | C2 | C1 | H10 | 156.3° | 35.3° |
| C5 | C4 | N2 | C7 | 0.5° | 0.1° |
| C4 | C5 | C6 | N3 | 177.5° | 179.9° |
| C4 | C5 | C6 | N1 | 0.2° | 0.0° |
| N2 | C4 | C5 | C6 | 1.1° | 0.1° |
| C4 | N2 | C7 | N1 | 1.1° | 0.1° |
| C4 | N2 | C7 | H1 | 179.0° | 180.0° |
| C5 | C6 | N3 | N1 | 177.3° | 179.9° |
| C5 | C6 | N1 | C7 | 1.2° | 0.0° |
| C5 | C6 | N3 | C9 | 48.4° | 117.3° |
| C5 | C6 | N3 | C8 | 137.1° | 118.7° |
| N2 | C7 | N1 | C6 | 2.0° | 0.0° |
| N2 | C7 | N1 | H1 | 180.0° | 180.0° |
| N3 | C6 | N1 | C7 | 176.3° | 179.9° |
| C6 | N3 | C9 | C8 | 174.9° | 124.0° |
| C6 | N3 | C8 | H2 | 180.0° | 60.1° |
| C6 | N3 | C8 | H3 | 60.0° | 180.0° |
| C6 | N3 | C8 | H4 | 60.0° | 60.0° |
| C6 | N3 | C9 | H11 | 180.0° | 68.9° |
| C6 | N3 | C9 | H12 | 60.0° | 51.0° |
| C6 | N3 | C9 | H13 | 60.0° | 171.1° |
| N1 | C6 | N3 | C9 | 128.9° | 62.7° |
| N1 | C6 | N3 | C8 | 45.6° | 61.3° |
| C6 | N1 | C7 | H1 | 178.1° | 180.0° |
| C9 | N3 | C8 | H2 | 5.3° | 63.9° |
| C9 | N3 | C8 | H3 | 125.3° | 56.0° |
| C9 | N3 | C8 | H4 | 114.7° | 176.0° |
| N3 | C9 | H11 | H12 | 120.0° | 120.0° |
| N3 | C9 | H11 | H13 | 120.0° | 120.0° |
| N3 | C9 | H12 | H13 | 120.0° | 120.0° |
| N3 | C8 | H2 | H3 | 120.0° | 119.9° |
| N3 | C8 | H2 | H4 | 120.0° | 120.1° |
| N3 | C8 | H3 | H4 | 120.0° | 120.1° |
| C8 | N3 | C9 | H11 | 5.1° | 55.0° |
| C8 | N3 | C9 | H12 | 114.9° | 175.0° |
| C8 | N3 | C9 | H13 | 125.1° | 65.0° |
| H2 | C8 | H3 | H4 | 120.0° | 120.0° |
| H5 | C10 | H6 | H7 | 120.0° | 120.0° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
| H11 | C9 | H12 | H13 | 120.0° | 119.9° |
