YVI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | S6 | sing | 1.81Å | 1.82Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | OT | sing | 1.34Å | 1.31Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| S6 | H6A | sing | 1.34Å | 1.30Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| OT | HT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 115.4° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.4° |
| C7 | C8 | H8A | 109.5° | 109.5° |
| C7 | C8 | H8B | 109.5° | 109.5° |
| C8 | C7 | H7A | 108.0° | 109.4° |
| C8 | C7 | H7 | 108.0° | 109.5° |
| C7 | C6 | S6 | 111.9° | 109.5° |
| C7 | C6 | C5 | 112.9° | 109.5° |
| C6 | C7 | H7A | 108.0° | 109.5° |
| C6 | C7 | H7 | 108.0° | 109.5° |
| C7 | C6 | H6 | 107.5° | 109.5° |
| S6 | C6 | C5 | 111.9° | 109.5° |
| S6 | C6 | H6 | 104.6° | 109.5° |
| C6 | S6 | H6A | 102.0° | 103.0° |
| C6 | C5 | C4 | 116.8° | 109.4° |
| C5 | C6 | H6 | 107.5° | 109.5° |
| C6 | C5 | H5A | 107.6° | 109.5° |
| C6 | C5 | H5 | 107.6° | 109.4° |
| C5 | C4 | C3 | 116.6° | 109.4° |
| C4 | C5 | H5A | 107.6° | 109.5° |
| C4 | C5 | H5 | 107.6° | 109.5° |
| C5 | C4 | H4A | 107.7° | 109.5° |
| C5 | C4 | H4 | 107.6° | 109.5° |
| C4 | C3 | C2 | 112.9° | 109.4° |
| C3 | C4 | H4A | 107.7° | 109.4° |
| C3 | C4 | H4 | 107.7° | 109.5° |
| C4 | C3 | H3A | 108.6° | 109.5° |
| C4 | C3 | H3 | 108.6° | 109.5° |
| C3 | C2 | C1 | 114.5° | 109.4° |
| C2 | C3 | H3A | 108.6° | 109.4° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| C3 | C2 | H2A | 108.2° | 109.4° |
| C3 | C2 | H2 | 108.2° | 109.4° |
| C2 | C1 | OT | 113.3° | 120.0° |
| C2 | C1 | O1 | 123.7° | 120.0° |
| C1 | C2 | H2A | 108.2° | 109.5° |
| C1 | C2 | H2 | 108.2° | 109.5° |
| OT | C1 | O1 | 123.0° | 120.0° |
| C1 | OT | HT | 109.5° | 117.0° |
| H8 | C8 | H8A | 109.4° | 109.5° |
| H8 | C8 | H8B | 109.5° | 109.4° |
| H8A | C8 | H8B | 109.4° | 109.5° |
| H7A | C7 | H7 | 109.5° | 109.5° |
| H5A | C5 | H5 | 109.5° | 109.5° |
| H4A | C4 | H4 | 109.5° | 109.5° |
| H3A | C3 | H3 | 109.5° | 109.5° |
| H2A | C2 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H7A | 120.9° | 120.0° |
| C8 | C7 | C6 | H7 | 120.8° | 120.0° |
| C8 | C7 | C6 | S6 | 65.6° | 65.0° |
| C8 | C7 | C6 | C5 | 167.1° | 175.0° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 120.0° | 120.0° |
| C7 | C8 | H8A | H8B | 120.0° | 120.0° |
| C8 | C7 | H7A | H7 | 117.3° | 120.0° |
| C8 | C7 | C6 | H6 | 48.7° | 55.0° |
| C7 | C6 | S6 | C5 | 127.8° | 120.0° |
| C7 | C6 | S6 | H6 | 116.1° | 120.0° |
| C7 | C6 | C5 | H6 | 118.4° | 120.0° |
| C7 | C6 | C5 | C4 | 80.0° | 175.0° |
| C6 | C7 | C8 | H8 | 180.0° | 179.9° |
| C6 | C7 | C8 | H8A | 60.0° | 60.0° |
| C6 | C7 | C8 | H8B | 60.0° | 60.0° |
| C6 | C7 | H7A | H7 | 117.3° | 120.0° |
| C7 | C6 | S6 | H6A | 180.0° | 60.0° |
| C7 | C6 | C5 | H5A | 41.0° | 55.0° |
| C7 | C6 | C5 | H5 | 158.9° | 65.0° |
| S6 | C6 | C5 | H6 | 114.3° | 120.0° |
| S6 | C6 | C5 | C4 | 152.7° | 65.0° |
| S6 | C6 | C7 | H7A | 173.5° | 175.0° |
| S6 | C6 | C7 | H7 | 55.2° | 55.0° |
| S6 | C6 | C5 | H5A | 86.3° | 175.0° |
| S6 | C6 | C5 | H5 | 31.6° | 55.0° |
| C6 | C5 | C4 | H5A | 121.1° | 120.0° |
| C6 | C5 | C4 | H5 | 121.1° | 120.0° |
| C6 | C5 | C4 | C3 | 153.8° | 180.0° |
| C5 | C6 | C7 | H7A | 46.2° | 55.0° |
| C5 | C6 | C7 | H7 | 72.1° | 65.0° |
| C5 | C6 | S6 | H6A | 52.2° | 60.0° |
| C6 | C5 | H5A | H5 | 116.7° | 119.9° |
| C6 | C5 | C4 | H4A | 85.2° | 60.0° |
| C6 | C5 | C4 | H4 | 32.8° | 60.0° |
| C5 | C4 | C3 | H4A | 121.0° | 120.0° |
| C5 | C4 | C3 | H4 | 121.0° | 120.0° |
| C5 | C4 | C3 | C2 | 64.1° | 180.0° |
| C4 | C5 | C6 | H6 | 38.4° | 55.0° |
| C4 | C5 | H5A | H5 | 116.7° | 120.1° |
| C5 | C4 | H4A | H4 | 116.8° | 120.0° |
| C5 | C4 | C3 | H3A | 175.4° | 60.1° |
| C5 | C4 | C3 | H3 | 56.4° | 60.0° |
| C4 | C3 | C2 | H3A | 120.5° | 120.0° |
| C4 | C3 | C2 | H3 | 120.5° | 120.0° |
| C4 | C3 | C2 | C1 | 165.9° | 180.0° |
| C3 | C4 | C5 | H5A | 32.7° | 60.1° |
| C3 | C4 | C5 | H5 | 85.1° | 60.0° |
| C3 | C4 | H4A | H4 | 116.8° | 120.0° |
| C4 | C3 | H3A | H3 | 118.5° | 120.1° |
| C4 | C3 | C2 | H2A | 73.4° | 60.0° |
| C4 | C3 | C2 | H2 | 45.1° | 60.0° |
| C3 | C2 | C1 | H2A | 120.7° | 119.9° |
| C3 | C2 | C1 | H2 | 120.7° | 120.0° |
| C3 | C2 | C1 | OT | 62.1° | 180.0° |
| C3 | C2 | C1 | O1 | 117.9° | 0.0° |
| C2 | C3 | C4 | H4A | 56.9° | 60.0° |
| C2 | C3 | C4 | H4 | 174.9° | 60.0° |
| C2 | C3 | H3A | H3 | 118.5° | 120.0° |
| C3 | C2 | H2A | H2 | 117.7° | 120.0° |
| C2 | C1 | OT | O1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3A | 45.4° | 60.0° |
| C1 | C2 | C3 | H3 | 73.6° | 60.0° |
| C1 | C2 | H2A | H2 | 117.7° | 120.1° |
| C2 | C1 | OT | HT | 180.0° | 180.0° |
| OT | C1 | C2 | H2A | 58.7° | 60.0° |
| OT | C1 | C2 | H2 | 177.2° | 60.1° |
| O1 | C1 | C2 | H2A | 121.3° | 120.0° |
| O1 | C1 | C2 | H2 | 2.8° | 119.9° |
| O1 | C1 | OT | HT | 0.0° | 0.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| H8 | C8 | C7 | H7A | 59.1° | 60.1° |
| H8 | C8 | C7 | H7 | 59.2° | 59.9° |
| H8A | C8 | C7 | H7A | 60.9° | 60.0° |
| H8A | C8 | C7 | H7 | 179.2° | 180.0° |
| H8B | C8 | C7 | H7A | 179.2° | 180.0° |
| H8B | C8 | C7 | H7 | 60.9° | 60.0° |
| H7A | C7 | C6 | H6 | 72.1° | 65.0° |
| H7 | C7 | C6 | H6 | 169.6° | 175.0° |
| H6 | C6 | S6 | H6A | 63.9° | 180.0° |
| H6 | C6 | C5 | H5A | 159.4° | 65.0° |
| H6 | C6 | C5 | H5 | 82.7° | 175.0° |
| H5A | C5 | C4 | H4A | 153.8° | 180.0° |
| H5A | C5 | C4 | H4 | 88.3° | 60.0° |
| H5 | C5 | C4 | H4A | 35.9° | 59.9° |
| H5 | C5 | C4 | H4 | 153.8° | 180.0° |
| H4A | C4 | C3 | H3A | 63.6° | 180.0° |
| H4A | C4 | C3 | H3 | 177.4° | 60.0° |
| H4 | C4 | C3 | H3A | 54.4° | 60.0° |
| H4 | C4 | C3 | H3 | 64.6° | 180.0° |
| H3A | C3 | C2 | H2A | 166.1° | 180.0° |
| H3A | C3 | C2 | H2 | 75.4° | 60.0° |
| H3 | C3 | C2 | H2A | 47.1° | 60.0° |
| H3 | C3 | C2 | H2 | 165.6° | 180.0° |
