2VY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM2 | C2A | sing | 1.51Å | 1.51Å | |
| C2A | N3A | doub | 1.32Å | 1.33Å | Aromatic |
| C2A | N1A | sing | 1.32Å | 1.32Å | Aromatic |
| N3A | C4A | sing | 1.33Å | 1.33Å | Aromatic |
| N1A | C6A | doub | 1.33Å | 1.34Å | Aromatic |
| C4A | N4A | sing | 1.39Å | 1.41Å | |
| C4A | C5A | doub | 1.40Å | 1.42Å | Aromatic |
| C2 | S1 | sing | 1.71Å | 1.71Å | Aromatic |
| C2 | C3 | doub | 1.34Å | 1.42Å | Aromatic |
| S1 | C5 | sing | 1.76Å | 1.66Å | Aromatic |
| C6A | C5A | sing | 1.38Å | 1.42Å | Aromatic |
| C5A | C7A | sing | 1.51Å | 1.52Å | |
| C3 | C7A | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.37Å | 1.43Å | Aromatic |
| C5 | C4 | doub | 1.37Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.51Å | |
| C4 | CM4 | sing | 1.51Å | 1.54Å | |
| C6 | O1 | doub | 1.21Å | 1.39Å | |
| CM2 | H1 | sing | 1.09Å | 1.10Å | |
| CM2 | H2 | sing | 1.09Å | 1.10Å | |
| CM2 | H3 | sing | 1.09Å | 1.10Å | |
| N4A | H4 | sing | 0.97Å | 1.00Å | |
| N4A | H5 | sing | 0.97Å | 1.00Å | |
| CM4 | H6 | sing | 1.09Å | 1.10Å | |
| CM4 | H7 | sing | 1.09Å | 1.10Å | |
| CM4 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C7A | H13 | sing | 1.09Å | 1.10Å | |
| C7A | H14 | sing | 1.09Å | 1.10Å | |
| C6A | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM2 | C2A | N3A | 119.0° | 119.1° |
| CM2 | C2A | N1A | 118.9° | 119.1° |
| C2A | CM2 | H1 | 109.5° | 109.5° |
| C2A | CM2 | H2 | 109.5° | 109.5° |
| C2A | CM2 | H3 | 109.5° | 109.5° |
| N3A | C2A | N1A | 122.1° | 121.8° |
| C2A | N3A | C4A | 121.3° | 120.7° |
| C2A | N1A | C6A | 121.7° | 121.0° |
| N3A | C4A | N4A | 118.6° | 120.5° |
| N3A | C4A | C5A | 118.3° | 119.0° |
| N1A | C6A | C5A | 117.9° | 119.2° |
| N1A | C6A | H15 | 121.0° | 120.4° |
| N4A | C4A | C5A | 123.1° | 120.5° |
| C4A | N4A | H4 | 109.5° | 120.0° |
| C4A | N4A | H5 | 109.5° | 120.0° |
| C4A | C5A | C6A | 118.6° | 118.3° |
| C4A | C5A | C7A | 122.1° | 120.9° |
| S1 | C2 | C3 | 105.1° | 111.0° |
| C2 | S1 | C5 | 100.6° | 91.6° |
| S1 | C2 | H12 | 127.5° | 124.5° |
| C2 | C3 | C7A | 125.2° | 122.5° |
| C2 | C3 | C4 | 113.5° | 115.1° |
| C3 | C2 | H12 | 127.5° | 124.4° |
| S1 | C5 | C4 | 106.0° | 109.0° |
| S1 | C5 | C6 | 121.8° | 125.4° |
| C6A | C5A | C7A | 119.3° | 120.8° |
| C5A | C6A | H15 | 121.0° | 120.4° |
| C5A | C7A | C3 | 108.2° | 109.5° |
| C5A | C7A | H13 | 109.8° | 109.4° |
| C5A | C7A | H14 | 109.8° | 109.4° |
| C7A | C3 | C4 | 121.2° | 122.4° |
| C3 | C7A | H13 | 109.8° | 109.5° |
| C3 | C7A | H14 | 109.8° | 109.5° |
| C3 | C4 | C5 | 114.8° | 113.3° |
| C3 | C4 | CM4 | 120.8° | 123.4° |
| C4 | C5 | C6 | 132.2° | 125.5° |
| C5 | C4 | CM4 | 124.4° | 123.4° |
| C5 | C6 | O1 | 111.9° | 120.0° |
| C5 | C6 | H10 | 124.0° | 120.0° |
| C4 | CM4 | H6 | 109.5° | 109.5° |
| C4 | CM4 | H7 | 109.5° | 109.4° |
| C4 | CM4 | H8 | 109.4° | 109.5° |
| O1 | C6 | H10 | 124.1° | 120.0° |
| H1 | CM2 | H2 | 109.4° | 109.4° |
| H1 | CM2 | H3 | 109.5° | 109.5° |
| H2 | CM2 | H3 | 109.5° | 109.5° |
| H4 | N4A | H5 | 109.5° | 120.0° |
| H6 | CM4 | H7 | 109.5° | 109.5° |
| H6 | CM4 | H8 | 109.5° | 109.5° |
| H7 | CM4 | H8 | 109.5° | 109.5° |
| H13 | C7A | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM2 | C2A | N3A | N1A | 179.5° | 180.0° |
| CM2 | C2A | N3A | C4A | 179.4° | 180.0° |
| CM2 | C2A | N1A | C6A | 179.3° | 180.0° |
| C2A | CM2 | H1 | H2 | 120.0° | 120.0° |
| C2A | CM2 | H1 | H3 | 120.0° | 120.1° |
| C2A | CM2 | H2 | H3 | 120.0° | 120.0° |
| N3A | C2A | N1A | C6A | 1.2° | 0.0° |
| C2A | N3A | C4A | N4A | 179.1° | 180.0° |
| C2A | N3A | C4A | C5A | 0.4° | 0.3° |
| N3A | C2A | CM2 | H1 | 0.0° | 90.0° |
| N3A | C2A | CM2 | H2 | 120.0° | 150.0° |
| N3A | C2A | CM2 | H3 | 120.0° | 30.0° |
| N1A | C2A | N3A | C4A | 0.1° | 0.0° |
| C2A | N1A | C6A | C5A | 2.2° | 0.3° |
| N1A | C2A | CM2 | H1 | 179.5° | 90.0° |
| N1A | C2A | CM2 | H2 | 60.5° | 30.0° |
| N1A | C2A | CM2 | H3 | 59.5° | 150.0° |
| C2A | N1A | C6A | H15 | 177.8° | 180.0° |
| N3A | C4A | N4A | C5A | 178.6° | 179.7° |
| N3A | C4A | C5A | C6A | 0.5° | 0.6° |
| N3A | C4A | C5A | C7A | 179.9° | 179.7° |
| N3A | C4A | N4A | H4 | 0.0° | 179.7° |
| N3A | C4A | N4A | H5 | 120.0° | 0.3° |
| N1A | C6A | C5A | C4A | 1.8° | 0.6° |
| N1A | C6A | C5A | H15 | 180.0° | 179.7° |
| N1A | C6A | C5A | C7A | 178.8° | 179.7° |
| N4A | C4A | C5A | C6A | 178.0° | 179.7° |
| N4A | C4A | C5A | C7A | 1.4° | 0.0° |
| C4A | N4A | H4 | H5 | 120.0° | 180.0° |
| C4A | C5A | C6A | C7A | 179.4° | 179.7° |
| C4A | C5A | C7A | C3 | 71.9° | 85.0° |
| C5A | C4A | N4A | H4 | 178.6° | 0.0° |
| C5A | C4A | N4A | H5 | 61.4° | 180.0° |
| C4A | C5A | C7A | H13 | 168.3° | 35.0° |
| C4A | C5A | C7A | H14 | 48.0° | 155.0° |
| C4A | C5A | C6A | H15 | 178.2° | 179.8° |
| S1 | C2 | C3 | H12 | 180.0° | 179.7° |
| S1 | C2 | C3 | C7A | 179.4° | 180.0° |
| S1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C2 | S1 | C5 | C4 | 0.1° | 0.0° |
| C2 | S1 | C5 | C6 | 179.0° | 180.0° |
| C3 | C2 | S1 | C5 | 0.5° | 0.0° |
| C2 | C3 | C7A | C5A | 3.5° | 94.9° |
| C2 | C3 | C7A | C4 | 178.4° | 180.0° |
| C2 | C3 | C4 | C5 | 1.1° | 0.0° |
| C2 | C3 | C4 | CM4 | 178.4° | 180.0° |
| C2 | C3 | C7A | H13 | 116.3° | 25.0° |
| C2 | C3 | C7A | H14 | 123.3° | 145.1° |
| S1 | C5 | C4 | C3 | 0.7° | 0.0° |
| S1 | C5 | C4 | C6 | 178.7° | 180.0° |
| S1 | C5 | C4 | CM4 | 178.9° | 180.0° |
| S1 | C5 | C6 | O1 | 156.1° | 0.0° |
| S1 | C5 | C6 | H10 | 23.9° | 180.0° |
| C5 | S1 | C2 | H12 | 179.5° | 179.7° |
| C6A | C5A | C7A | C3 | 108.8° | 94.7° |
| C6A | C5A | C7A | H13 | 11.1° | 145.3° |
| C6A | C5A | C7A | H14 | 131.4° | 25.3° |
| C5A | C7A | C3 | H13 | 119.8° | 119.9° |
| C5A | C7A | C3 | H14 | 119.8° | 120.0° |
| C5A | C7A | C3 | C4 | 174.8° | 85.1° |
| C5A | C7A | H13 | H14 | 120.6° | 119.9° |
| C7A | C5A | C6A | H15 | 1.2° | 0.1° |
| C7A | C3 | C4 | C5 | 179.7° | 180.0° |
| C7A | C3 | C4 | CM4 | 0.1° | 0.0° |
| C7A | C3 | C2 | H12 | 0.6° | 0.3° |
| C3 | C7A | H13 | H14 | 120.6° | 120.1° |
| C3 | C4 | C5 | CM4 | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 179.4° | 180.0° |
| C3 | C4 | CM4 | H6 | 89.8° | 90.0° |
| C3 | C4 | CM4 | H7 | 150.2° | 30.0° |
| C3 | C4 | CM4 | H8 | 30.2° | 150.0° |
| C4 | C3 | C2 | H12 | 179.0° | 179.7° |
| C4 | C3 | C7A | H13 | 65.4° | 155.0° |
| C4 | C3 | C7A | H14 | 55.0° | 34.9° |
| C4 | C5 | C6 | O1 | 25.3° | 180.0° |
| C5 | C4 | CM4 | H6 | 89.7° | 90.0° |
| C5 | C4 | CM4 | H7 | 30.3° | 150.0° |
| C5 | C4 | CM4 | H8 | 150.3° | 30.0° |
| C4 | C5 | C6 | H10 | 154.7° | 0.0° |
| C6 | C5 | C4 | CM4 | 0.1° | 0.0° |
| C5 | C6 | O1 | H10 | 180.0° | 180.0° |
| C4 | CM4 | H6 | H7 | 120.0° | 119.9° |
| C4 | CM4 | H6 | H8 | 120.0° | 120.0° |
| C4 | CM4 | H7 | H8 | 120.0° | 120.0° |
| H1 | CM2 | H2 | H3 | 120.0° | 119.9° |
| H6 | CM4 | H7 | H8 | 120.0° | 120.0° |
