VHH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.34Å | 1.29Å | |
| N1 | C5 | sing | 1.47Å | 1.43Å | |
| N1 | C18 | sing | 1.46Å | 1.47Å | |
| S1 | C2 | sing | 1.84Å | 1.75Å | |
| S1 | C6 | sing | 1.84Å | 1.76Å | |
| C2 | C4 | sing | 1.54Å | 1.57Å | |
| C2 | C7 | sing | 1.53Å | 1.54Å | |
| N2 | C3 | sing | 1.34Å | 1.33Å | |
| N2 | C4 | sing | 1.47Å | 1.45Å | |
| N2 | C17 | sing | 1.47Å | 1.47Å | |
| C3 | O3 | doub | 1.22Å | 1.32Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C5 | C6 | sing | 1.54Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.35Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.35Å | |
| C11 | O11 | sing | 1.34Å | 1.25Å | |
| C11 | O12 | doub | 1.21Å | 1.25Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C5 | 110.6° | 109.1° |
| C3 | N1 | C18 | 123.0° | 125.5° |
| N1 | C3 | N2 | 114.3° | 113.9° |
| N1 | C3 | O3 | 116.7° | 123.1° |
| C5 | N1 | C18 | 126.3° | 125.4° |
| N1 | C5 | C4 | 103.2° | 104.0° |
| N1 | C5 | C6 | 104.2° | 109.2° |
| N1 | C5 | H5 | 116.8° | 110.3° |
| N1 | C18 | H18 | 109.5° | 109.5° |
| N1 | C18 | H18A | 109.5° | 109.5° |
| N1 | C18 | H18B | 109.5° | 109.5° |
| C2 | S1 | C6 | 95.5° | 94.8° |
| S1 | C2 | C4 | 104.8° | 102.7° |
| S1 | C2 | C7 | 110.4° | 110.7° |
| S1 | C2 | H2 | 116.3° | 110.8° |
| S1 | C6 | C5 | 106.0° | 102.7° |
| S1 | C6 | H6 | 110.7° | 110.7° |
| S1 | C6 | H6A | 110.7° | 110.8° |
| C4 | C2 | C7 | 119.7° | 110.8° |
| C2 | C4 | N2 | 112.5° | 109.2° |
| C2 | C4 | C5 | 108.3° | 112.4° |
| C4 | C2 | H2 | 106.2° | 110.7° |
| C2 | C4 | H4 | 106.2° | 110.3° |
| C2 | C7 | C8 | 116.9° | 109.5° |
| C7 | C2 | H2 | 100.1° | 110.8° |
| C2 | C7 | H7 | 107.1° | 109.5° |
| C2 | C7 | H7A | 107.1° | 109.5° |
| C3 | N2 | C4 | 109.2° | 109.1° |
| C3 | N2 | C17 | 126.6° | 125.5° |
| N2 | C3 | O3 | 128.8° | 123.0° |
| C4 | N2 | C17 | 123.8° | 125.5° |
| N2 | C4 | C5 | 102.2° | 104.0° |
| N2 | C4 | H4 | 111.9° | 110.2° |
| N2 | C17 | H17 | 109.5° | 109.4° |
| N2 | C17 | H17A | 109.5° | 109.5° |
| N2 | C17 | H17B | 109.4° | 109.5° |
| C4 | C5 | C6 | 110.4° | 112.4° |
| C5 | C4 | H4 | 115.9° | 110.5° |
| C4 | C5 | H5 | 111.3° | 110.3° |
| C6 | C5 | H5 | 110.4° | 110.5° |
| C5 | C6 | H6 | 110.6° | 110.8° |
| C5 | C6 | H6A | 110.6° | 110.7° |
| C7 | C8 | C9 | 123.1° | 109.5° |
| C8 | C7 | H7 | 107.1° | 109.5° |
| C8 | C7 | H7A | 107.1° | 109.4° |
| C7 | C8 | H8 | 105.2° | 109.5° |
| C7 | C8 | H8A | 105.2° | 109.5° |
| C8 | C9 | C10 | 112.4° | 109.4° |
| C9 | C8 | H8 | 105.2° | 109.5° |
| C9 | C8 | H8A | 105.2° | 109.5° |
| C8 | C9 | H9 | 108.5° | 109.5° |
| C8 | C9 | H9A | 108.5° | 109.5° |
| C9 | C10 | C11 | 118.1° | 109.5° |
| C10 | C9 | H9 | 108.5° | 109.5° |
| C10 | C9 | H9A | 108.5° | 109.5° |
| C9 | C10 | H10 | 106.7° | 109.5° |
| C9 | C10 | H10A | 106.7° | 109.5° |
| C10 | C11 | O11 | 118.1° | 120.0° |
| C10 | C11 | O12 | 122.7° | 120.0° |
| C11 | C10 | H10 | 106.7° | 109.4° |
| C11 | C10 | H10A | 106.7° | 109.5° |
| O11 | C11 | O12 | 119.2° | 120.0° |
| C11 | O11 | HO11 | 109.5° | 117.0° |
| H6 | C6 | H6A | 108.3° | 110.9° |
| H7 | C7 | H7A | 111.8° | 109.5° |
| H8 | C8 | H8A | 113.4° | 109.4° |
| H9 | C9 | H9A | 110.4° | 109.5° |
| H10 | C10 | H10A | 112.1° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H17 | C17 | H17B | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | C5 | C18 | 176.4° | 179.7° |
| N1 | C3 | N2 | O3 | 174.9° | 180.0° |
| N1 | C3 | N2 | C4 | 7.7° | 0.1° |
| N1 | C3 | N2 | C17 | 164.8° | 180.0° |
| C3 | N1 | C5 | C4 | 0.7° | 0.0° |
| C3 | N1 | C5 | C6 | 114.7° | 120.1° |
| C3 | N1 | C5 | H5 | 123.1° | 118.2° |
| C3 | N1 | C18 | H18 | 180.0° | 0.0° |
| C3 | N1 | C18 | H18A | 60.0° | 120.0° |
| C3 | N1 | C18 | H18B | 60.0° | 120.0° |
| N1 | C5 | C6 | S1 | 89.5° | 90.3° |
| N1 | C5 | C4 | C2 | 115.5° | 118.0° |
| C5 | N1 | C3 | N2 | 5.2° | 0.0° |
| N1 | C5 | C4 | N2 | 3.4° | 0.0° |
| C5 | N1 | C3 | O3 | 179.2° | 180.0° |
| N1 | C5 | C4 | C6 | 110.9° | 118.0° |
| N1 | C5 | C4 | H5 | 126.1° | 118.2° |
| N1 | C5 | C6 | H5 | 126.3° | 121.5° |
| N1 | C5 | C4 | H4 | 125.4° | 118.3° |
| N1 | C5 | C6 | H6 | 30.4° | 28.0° |
| N1 | C5 | C6 | H6A | 150.4° | 151.5° |
| C5 | N1 | C18 | H18 | 4.1° | 179.7° |
| C5 | N1 | C18 | H18A | 116.0° | 60.3° |
| C5 | N1 | C18 | H18B | 124.1° | 59.7° |
| C18 | N1 | C3 | N2 | 171.3° | 179.7° |
| C18 | N1 | C3 | O3 | 4.3° | 0.3° |
| C18 | N1 | C5 | C4 | 175.7° | 179.8° |
| C18 | N1 | C5 | C6 | 68.9° | 60.1° |
| C18 | N1 | C5 | H5 | 53.2° | 61.5° |
| N1 | C18 | H18 | H18A | 120.0° | 120.0° |
| N1 | C18 | H18 | H18B | 120.0° | 120.0° |
| N1 | C18 | H18A | H18B | 120.0° | 120.0° |
| S1 | C2 | C4 | C7 | 124.4° | 118.3° |
| S1 | C2 | C4 | H2 | 123.6° | 118.3° |
| S1 | C2 | C7 | H2 | 123.1° | 123.4° |
| S1 | C2 | C4 | N2 | 84.2° | 90.3° |
| S1 | C2 | C4 | C5 | 27.9° | 24.6° |
| C2 | S1 | C6 | C5 | 34.2° | 34.7° |
| S1 | C2 | C7 | C8 | 69.8° | 64.2° |
| S1 | C2 | C4 | H4 | 153.0° | 148.4° |
| C2 | S1 | C6 | H6 | 154.2° | 153.0° |
| C2 | S1 | C6 | H6A | 85.8° | 83.6° |
| S1 | C2 | C7 | H7 | 50.2° | 55.8° |
| S1 | C2 | C7 | H7A | 170.2° | 175.8° |
| C6 | S1 | C2 | C4 | 36.5° | 34.7° |
| C6 | S1 | C2 | C7 | 166.6° | 153.0° |
| S1 | C6 | C5 | C4 | 20.7° | 24.6° |
| S1 | C6 | C5 | H6 | 120.0° | 118.3° |
| S1 | C6 | C5 | H6A | 120.0° | 118.3° |
| C6 | S1 | C2 | H2 | 80.3° | 83.6° |
| S1 | C6 | C5 | H5 | 144.2° | 148.2° |
| S1 | C6 | H6 | H6A | 121.4° | 123.4° |
| C4 | C2 | C7 | H2 | 115.3° | 123.3° |
| C2 | C4 | N2 | C3 | 109.5° | 120.2° |
| C2 | C4 | N2 | C5 | 115.9° | 120.2° |
| C2 | C4 | N2 | H4 | 119.5° | 121.3° |
| C2 | C4 | N2 | C17 | 77.8° | 59.8° |
| C2 | C4 | C5 | H4 | 119.2° | 123.7° |
| C2 | C4 | C5 | C6 | 4.6° | 0.0° |
| C4 | C2 | C7 | C8 | 168.5° | 177.5° |
| C2 | C4 | C5 | H5 | 118.4° | 123.8° |
| C4 | C2 | C7 | H7 | 71.5° | 57.5° |
| C4 | C2 | C7 | H7A | 48.5° | 62.5° |
| C7 | C2 | C4 | N2 | 40.2° | 28.0° |
| C7 | C2 | C4 | C5 | 152.3° | 142.9° |
| C2 | C7 | C8 | H7 | 120.0° | 120.0° |
| C2 | C7 | C8 | H7A | 120.0° | 120.0° |
| C2 | C7 | C8 | C9 | 179.4° | 180.0° |
| C7 | C2 | C4 | H4 | 82.6° | 93.3° |
| C2 | C7 | H7 | H7A | 116.9° | 120.0° |
| C2 | C7 | C8 | H8 | 59.4° | 60.0° |
| C2 | C7 | C8 | H8A | 60.5° | 60.0° |
| C3 | N2 | C4 | C17 | 172.7° | 179.9° |
| C3 | N2 | C4 | C5 | 6.4° | 0.1° |
| C3 | N2 | C4 | H4 | 131.1° | 118.5° |
| C3 | N2 | C17 | H17 | 180.0° | 54.4° |
| C3 | N2 | C17 | H17A | 60.0° | 174.4° |
| C3 | N2 | C17 | H17B | 60.0° | 65.6° |
| C4 | N2 | C3 | O3 | 177.4° | 179.9° |
| N2 | C4 | C5 | H4 | 121.9° | 118.3° |
| N2 | C4 | C5 | C6 | 114.4° | 118.0° |
| N2 | C4 | C2 | H2 | 152.2° | 151.4° |
| N2 | C4 | C5 | H5 | 122.7° | 118.2° |
| C4 | N2 | C17 | H17 | 8.6° | 125.7° |
| C4 | N2 | C17 | H17A | 128.6° | 5.7° |
| C4 | N2 | C17 | H17B | 111.4° | 114.3° |
| C17 | N2 | C3 | O3 | 10.1° | 0.0° |
| C17 | N2 | C4 | C5 | 166.3° | 180.0° |
| C17 | N2 | C4 | H4 | 41.6° | 61.5° |
| N2 | C17 | H17 | H17A | 120.0° | 120.0° |
| N2 | C17 | H17 | H17B | 120.0° | 120.0° |
| N2 | C17 | H17A | H17B | 120.0° | 120.0° |
| C4 | C5 | C6 | H5 | 123.5° | 123.7° |
| C5 | C4 | C2 | H2 | 95.6° | 93.7° |
| C4 | C5 | C6 | H6 | 140.7° | 142.9° |
| C4 | C5 | C6 | H6A | 99.3° | 93.7° |
| C6 | C5 | C4 | H4 | 123.7° | 123.7° |
| C5 | C6 | H6 | H6A | 121.4° | 123.4° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 120.0° | 120.0° |
| C7 | C8 | C9 | C10 | 179.3° | 180.0° |
| C8 | C7 | C2 | H2 | 53.2° | 59.1° |
| C8 | C7 | H7 | H7A | 117.0° | 120.0° |
| C7 | C8 | H8 | H8A | 114.3° | 120.0° |
| C7 | C8 | C9 | H9 | 60.7° | 60.0° |
| C7 | C8 | C9 | H9A | 59.3° | 60.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | C10 | C11 | 85.0° | 180.0° |
| C9 | C8 | C7 | H7 | 60.6° | 60.0° |
| C9 | C8 | C7 | H7A | 59.4° | 60.0° |
| C9 | C8 | H8 | H8A | 114.4° | 120.0° |
| C8 | C9 | H9 | H9A | 118.8° | 120.0° |
| C8 | C9 | C10 | H10 | 35.0° | 60.1° |
| C8 | C9 | C10 | H10A | 155.0° | 60.1° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 120.0° | 120.0° |
| C9 | C10 | C11 | O11 | 1.2° | 180.0° |
| C9 | C10 | C11 | O12 | 179.7° | 0.0° |
| C10 | C9 | C8 | H8 | 59.3° | 60.0° |
| C10 | C9 | C8 | H8A | 60.7° | 60.0° |
| C10 | C9 | H9 | H9A | 118.8° | 120.0° |
| C9 | C10 | H10 | H10A | 116.5° | 120.1° |
| C10 | C11 | O11 | O12 | 178.6° | 180.0° |
| C11 | C10 | C9 | H9 | 155.0° | 60.0° |
| C11 | C10 | C9 | H9A | 35.0° | 60.0° |
| C11 | C10 | H10 | H10A | 116.5° | 120.0° |
| C10 | C11 | O11 | HO11 | 178.6° | 179.9° |
| O11 | C11 | C10 | H10 | 121.2° | 60.0° |
| O11 | C11 | C10 | H10A | 118.8° | 60.0° |
| O12 | C11 | C10 | H10 | 60.3° | 120.0° |
| O12 | C11 | C10 | H10A | 59.7° | 120.0° |
| O12 | C11 | O11 | HO11 | 0.0° | 0.0° |
| H2 | C2 | C4 | H4 | 29.5° | 30.1° |
| H2 | C2 | C7 | H7 | 173.2° | 179.1° |
| H2 | C2 | C7 | H7A | 66.8° | 60.9° |
| H4 | C4 | C5 | H5 | 0.7° | 0.1° |
| H5 | C5 | C6 | H6 | 95.8° | 93.5° |
| H5 | C5 | C6 | H6A | 24.2° | 30.0° |
| H7 | C7 | C8 | H8 | 179.4° | 180.0° |
| H7 | C7 | C8 | H8A | 59.4° | 60.0° |
| H7A | C7 | C8 | H8 | 60.6° | 60.0° |
| H7A | C7 | C8 | H8A | 179.5° | 180.0° |
| H8 | C8 | C9 | H9 | 179.3° | 180.0° |
| H8 | C8 | C9 | H9A | 60.7° | 60.0° |
| H8A | C8 | C9 | H9 | 59.3° | 60.0° |
| H8A | C8 | C9 | H9A | 179.3° | 180.0° |
| H9 | C9 | C10 | H10 | 85.0° | 179.9° |
| H9 | C9 | C10 | H10A | 35.0° | 60.0° |
| H9A | C9 | C10 | H10 | 155.0° | 60.0° |
| H9A | C9 | C10 | H10A | 85.0° | 179.9° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
