ZVH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | S1 | sing | 1.76Å | 1.69Å | Aromatic |
| C5 | C4 | doub | 1.33Å | 1.37Å | Aromatic |
| S1 | C6 | sing | 1.76Å | 1.68Å | Aromatic |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C8 | C3 | sing | 1.54Å | 1.53Å | |
| C9 | C10 | sing | 1.55Å | 1.53Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.54Å | 1.56Å | |
| C4 | C7 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | C10 | sing | 1.54Å | 1.55Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | doub | 1.33Å | 1.36Å | Aromatic |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C1 | O2 | sing | 1.34Å | 1.22Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C5 | C4 | 112.1° | 109.6° |
| C5 | S1 | C6 | 92.3° | 91.0° |
| S1 | C5 | H1 | 123.9° | 125.2° |
| C5 | C4 | C3 | 122.1° | 122.6° |
| C5 | C4 | C7 | 110.9° | 114.9° |
| C4 | C5 | H1 | 123.9° | 125.2° |
| S1 | C6 | C7 | 112.3° | 109.6° |
| S1 | C6 | H2 | 123.9° | 125.2° |
| C9 | C8 | C3 | 102.0° | 104.2° |
| C8 | C9 | C10 | 101.9° | 102.8° |
| C9 | C8 | H4 | 111.3° | 110.4° |
| C9 | C8 | H5 | 111.3° | 110.5° |
| C8 | C9 | H10 | 111.3° | 110.8° |
| C8 | C9 | H11 | 111.3° | 110.7° |
| C8 | C3 | C4 | 116.9° | 110.0° |
| C8 | C3 | C2 | 104.3° | 106.6° |
| C3 | C8 | H4 | 111.3° | 110.5° |
| C3 | C8 | H5 | 111.3° | 110.5° |
| C8 | C3 | H9 | 104.6° | 110.0° |
| C9 | C10 | C2 | 105.2° | 104.2° |
| C9 | C10 | H6 | 110.5° | 110.5° |
| C9 | C10 | H7 | 110.5° | 110.6° |
| C10 | C9 | H10 | 111.3° | 110.7° |
| C10 | C9 | H11 | 111.3° | 110.7° |
| C4 | C3 | C2 | 120.1° | 110.0° |
| C3 | C4 | C7 | 127.0° | 122.5° |
| C4 | C3 | H9 | 105.0° | 110.0° |
| C3 | C2 | C10 | 104.8° | 106.6° |
| C3 | C2 | C1 | 114.2° | 110.0° |
| C3 | C2 | H8 | 107.8° | 110.1° |
| C2 | C3 | H9 | 104.4° | 110.1° |
| C4 | C7 | C6 | 112.0° | 114.9° |
| C4 | C7 | H3 | 124.0° | 122.5° |
| C10 | C2 | C1 | 113.6° | 110.0° |
| C2 | C10 | H6 | 110.5° | 110.5° |
| C2 | C10 | H7 | 110.6° | 110.4° |
| C10 | C2 | H8 | 108.0° | 110.0° |
| C2 | C1 | O1 | 117.6° | 120.0° |
| C2 | C1 | O2 | 118.9° | 120.0° |
| C1 | C2 | H8 | 108.2° | 110.0° |
| C7 | C6 | H2 | 123.8° | 125.2° |
| C6 | C7 | H3 | 124.0° | 122.5° |
| O1 | C1 | O2 | 123.5° | 120.0° |
| C1 | O2 | H12 | 109.5° | 117.0° |
| H4 | C8 | H5 | 109.4° | 110.6° |
| H6 | C10 | H7 | 109.4° | 110.5° |
| H10 | C9 | H11 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C5 | C4 | H1 | 180.0° | 180.0° |
| S1 | C5 | C4 | C3 | 175.5° | 179.8° |
| S1 | C5 | C4 | C7 | 5.2° | 0.0° |
| C5 | S1 | C6 | C7 | 2.4° | 0.0° |
| C5 | S1 | C6 | H2 | 177.6° | 180.0° |
| C4 | C5 | S1 | C6 | 1.8° | 0.0° |
| C5 | C4 | C3 | C8 | 129.5° | 47.0° |
| C5 | C4 | C3 | C7 | 179.1° | 179.8° |
| C5 | C4 | C3 | C2 | 102.7° | 70.1° |
| C5 | C4 | C7 | C6 | 7.1° | 0.0° |
| C5 | C4 | C7 | H3 | 172.9° | 180.0° |
| C5 | C4 | C3 | H9 | 14.1° | 168.4° |
| S1 | C6 | C7 | C4 | 5.8° | 0.0° |
| S1 | C6 | C7 | H2 | 180.0° | 180.0° |
| C6 | S1 | C5 | H1 | 178.2° | 180.0° |
| S1 | C6 | C7 | H3 | 174.2° | 180.0° |
| C9 | C8 | C3 | H4 | 118.8° | 118.6° |
| C9 | C8 | C3 | H5 | 118.8° | 118.7° |
| C8 | C9 | C10 | H10 | 118.8° | 118.4° |
| C8 | C9 | C10 | H11 | 118.8° | 118.3° |
| C9 | C8 | C3 | C4 | 173.4° | 142.8° |
| C9 | C8 | C3 | C2 | 38.2° | 23.6° |
| C8 | C9 | C10 | C2 | 37.7° | 37.9° |
| C9 | C8 | H4 | H5 | 123.5° | 122.7° |
| C8 | C9 | C10 | H6 | 81.6° | 156.6° |
| C8 | C9 | C10 | H7 | 157.1° | 80.8° |
| C9 | C8 | C3 | H9 | 71.1° | 95.7° |
| C8 | C9 | H10 | H11 | 123.5° | 123.4° |
| C3 | C8 | C9 | C10 | 47.0° | 37.9° |
| C8 | C3 | C4 | C2 | 127.8° | 117.1° |
| C8 | C3 | C4 | H9 | 115.4° | 121.4° |
| C8 | C3 | C2 | H9 | 109.5° | 119.3° |
| C8 | C3 | C4 | C7 | 49.6° | 133.2° |
| C8 | C3 | C2 | C10 | 15.0° | 0.0° |
| C8 | C3 | C2 | C1 | 110.0° | 119.3° |
| C3 | C8 | H4 | H5 | 123.5° | 122.6° |
| C8 | C3 | C2 | H8 | 129.8° | 119.3° |
| C3 | C8 | C9 | H10 | 165.8° | 156.2° |
| C3 | C8 | C9 | H11 | 71.7° | 80.3° |
| C9 | C10 | C2 | C3 | 14.0° | 23.6° |
| C9 | C10 | C2 | H6 | 119.3° | 118.7° |
| C9 | C10 | C2 | H7 | 119.3° | 118.8° |
| C9 | C10 | C2 | C1 | 139.3° | 142.9° |
| C10 | C9 | C8 | H4 | 165.8° | 80.7° |
| C10 | C9 | C8 | H5 | 71.8° | 156.6° |
| C9 | C10 | H6 | H7 | 122.0° | 122.7° |
| C9 | C10 | C2 | H8 | 100.7° | 95.7° |
| C10 | C9 | H10 | H11 | 123.5° | 123.3° |
| C4 | C3 | C2 | H9 | 117.1° | 121.4° |
| C4 | C3 | C2 | C10 | 148.3° | 119.3° |
| C4 | C3 | C2 | C1 | 23.3° | 0.0° |
| C3 | C4 | C7 | C6 | 173.7° | 179.7° |
| C3 | C4 | C5 | H1 | 4.5° | 0.3° |
| C3 | C4 | C7 | H3 | 6.3° | 0.2° |
| C4 | C3 | C8 | H4 | 67.8° | 24.2° |
| C4 | C3 | C8 | H5 | 54.6° | 98.4° |
| C4 | C3 | C2 | H8 | 96.9° | 121.4° |
| C2 | C3 | C4 | C7 | 78.2° | 109.6° |
| C3 | C2 | C10 | C1 | 125.3° | 119.3° |
| C3 | C2 | C10 | H8 | 114.7° | 119.3° |
| C3 | C2 | C1 | H8 | 120.0° | 121.4° |
| C3 | C2 | C1 | O1 | 120.4° | 94.8° |
| C3 | C2 | C1 | O2 | 60.2° | 85.3° |
| C2 | C3 | C8 | H4 | 157.0° | 95.0° |
| C2 | C3 | C8 | H5 | 80.6° | 142.3° |
| C3 | C2 | C10 | H6 | 105.4° | 142.3° |
| C3 | C2 | C10 | H7 | 133.3° | 95.2° |
| C4 | C7 | C6 | H3 | 180.0° | 180.0° |
| C7 | C4 | C5 | H1 | 174.8° | 179.9° |
| C4 | C7 | C6 | H2 | 174.2° | 180.0° |
| C7 | C4 | C3 | H9 | 165.0° | 11.8° |
| C10 | C2 | C1 | H8 | 119.9° | 121.4° |
| C10 | C2 | C1 | O1 | 119.5° | 22.4° |
| C10 | C2 | C1 | O2 | 59.9° | 157.5° |
| C2 | C10 | H6 | H7 | 122.0° | 122.5° |
| C10 | C2 | C3 | H9 | 94.6° | 119.3° |
| C2 | C10 | C9 | H10 | 156.5° | 156.3° |
| C2 | C10 | C9 | H11 | 81.0° | 80.4° |
| C2 | C1 | O1 | O2 | 179.4° | 180.0° |
| C1 | C2 | C10 | H6 | 19.9° | 98.4° |
| C1 | C2 | C10 | H7 | 101.4° | 24.1° |
| C1 | C2 | C3 | H9 | 140.5° | 121.4° |
| C2 | C1 | O2 | H12 | 179.4° | 180.0° |
| O1 | C1 | C2 | H8 | 0.4° | 143.8° |
| O1 | C1 | O2 | H12 | 0.0° | 0.0° |
| O2 | C1 | C2 | H8 | 179.8° | 36.1° |
| H2 | C6 | C7 | H3 | 5.8° | 0.0° |
| H4 | C8 | C3 | H9 | 47.7° | 145.6° |
| H4 | C8 | C9 | H10 | 75.4° | 37.6° |
| H4 | C8 | C9 | H11 | 47.1° | 161.0° |
| H5 | C8 | C3 | H9 | 170.1° | 23.0° |
| H5 | C8 | C9 | H10 | 47.0° | 85.1° |
| H5 | C8 | C9 | H11 | 169.5° | 38.4° |
| H6 | C10 | C2 | H8 | 139.9° | 23.0° |
| H6 | C10 | C9 | H10 | 37.2° | 85.0° |
| H6 | C10 | C9 | H11 | 159.6° | 38.3° |
| H7 | C10 | C2 | H8 | 18.6° | 145.5° |
| H7 | C10 | C9 | H10 | 84.2° | 37.6° |
| H7 | C10 | C9 | H11 | 38.3° | 161.0° |
| H8 | C2 | C3 | H9 | 20.2° | 0.0° |
