IO6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | S1 | sing | 1.66Å | 1.66Å | |
| O15 | S13 | doub | 1.42Å | 1.45Å | |
| O18 | C17 | doub | 1.22Å | 1.29Å | |
| C9 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.43Å | Aromatic |
| C17 | C10 | sing | 1.47Å | 1.50Å | |
| C17 | N16 | sing | 1.34Å | 1.37Å | |
| C10 | C11 | doub | 1.40Å | 1.49Å | Aromatic |
| N16 | C19 | sing | 1.47Å | 1.50Å | |
| N16 | S13 | sing | 1.67Å | 1.65Å | |
| C7 | S1 | sing | 1.76Å | 1.70Å | |
| C7 | C12 | doub | 1.39Å | 1.47Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.37Å | 1.46Å | Aromatic |
| C11 | S13 | sing | 1.77Å | 1.68Å | |
| S1 | O6 | doub | 1.42Å | 1.46Å | |
| S1 | O5 | doub | 1.42Å | 1.45Å | |
| S13 | O14 | doub | 1.42Å | 1.44Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C21 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| N7 | H4 | sing | 0.97Å | 1.00Å | |
| N7 | H5 | sing | 0.97Å | 1.00Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | S1 | C7 | 107.3° | 107.2° |
| N7 | S1 | O6 | 123.1° | 106.4° |
| N7 | S1 | O5 | 110.8° | 106.4° |
| S1 | N7 | H4 | 109.5° | 120.1° |
| S1 | N7 | H5 | 109.5° | 119.9° |
| O15 | S13 | N16 | 107.0° | 107.7° |
| O15 | S13 | C11 | 122.7° | 107.5° |
| O15 | S13 | O14 | 104.4° | 124.1° |
| O18 | C17 | C10 | 119.3° | 121.0° |
| O18 | C17 | N16 | 123.8° | 121.0° |
| C8 | C9 | C10 | 121.5° | 120.3° |
| C9 | C8 | C7 | 122.4° | 121.0° |
| C9 | C8 | H1 | 118.8° | 119.5° |
| C8 | C9 | H2 | 119.2° | 119.9° |
| C9 | C10 | C17 | 133.2° | 130.1° |
| C9 | C10 | C11 | 121.5° | 117.5° |
| C10 | C9 | H2 | 119.2° | 119.8° |
| C8 | C7 | S1 | 116.6° | 120.3° |
| C8 | C7 | C12 | 115.4° | 119.5° |
| C7 | C8 | H1 | 118.8° | 119.5° |
| C10 | C17 | N16 | 116.9° | 118.0° |
| C17 | C10 | C11 | 105.3° | 112.4° |
| C17 | N16 | C19 | 132.2° | 127.1° |
| C17 | N16 | S13 | 109.0° | 105.9° |
| C10 | C11 | C12 | 114.0° | 122.0° |
| C10 | C11 | S13 | 110.0° | 103.8° |
| C19 | N16 | S13 | 118.8° | 127.0° |
| N16 | C19 | C20 | 113.1° | 109.5° |
| N16 | C19 | H6 | 108.6° | 109.5° |
| N16 | C19 | H7 | 108.5° | 109.5° |
| N16 | S13 | C11 | 98.7° | 99.8° |
| N16 | S13 | O14 | 106.5° | 107.5° |
| S1 | C7 | C12 | 127.9° | 120.2° |
| C7 | S1 | O6 | 117.8° | 106.4° |
| C7 | S1 | O5 | 93.8° | 106.3° |
| C7 | C12 | C11 | 125.1° | 119.8° |
| C7 | C12 | H3 | 117.5° | 120.1° |
| C19 | C20 | C21 | 115.8° | 109.5° |
| C20 | C19 | H6 | 108.6° | 109.4° |
| C20 | C19 | H7 | 108.6° | 109.4° |
| C19 | C20 | H8 | 107.9° | 109.4° |
| C19 | C20 | H9 | 107.8° | 109.4° |
| C12 | C11 | S13 | 136.0° | 134.2° |
| C11 | C12 | H3 | 117.5° | 120.2° |
| C11 | S13 | O14 | 116.1° | 107.5° |
| O6 | S1 | O5 | 99.2° | 123.2° |
| C20 | C21 | C29 | 112.9° | 109.4° |
| C21 | C20 | H8 | 107.9° | 109.5° |
| C21 | C20 | H9 | 107.9° | 109.5° |
| C20 | C21 | H10 | 108.6° | 109.5° |
| C20 | C21 | H11 | 108.6° | 109.4° |
| C21 | C29 | C30 | 113.9° | 109.4° |
| C29 | C21 | H10 | 108.6° | 109.5° |
| C29 | C21 | H11 | 108.6° | 109.5° |
| C21 | C29 | H12 | 108.3° | 109.5° |
| C21 | C29 | H13 | 108.4° | 109.5° |
| C30 | C29 | H12 | 108.3° | 109.5° |
| C30 | C29 | H13 | 108.3° | 109.4° |
| C29 | C30 | H14 | 109.5° | 109.4° |
| C29 | C30 | H15 | 109.5° | 109.5° |
| C29 | C30 | H16 | 109.5° | 109.4° |
| H4 | N7 | H5 | 109.5° | 120.0° |
| H6 | C19 | H7 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H12 | C29 | H13 | 109.5° | 109.5° |
| H14 | C30 | H15 | 109.5° | 109.5° |
| H14 | C30 | H16 | 109.4° | 109.4° |
| H15 | C30 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | S1 | C7 | C8 | 34.5° | 89.7° |
| N7 | S1 | C7 | O6 | 144.3° | 113.6° |
| N7 | S1 | C7 | O5 | 113.2° | 113.5° |
| N7 | S1 | C7 | C12 | 147.5° | 90.0° |
| N7 | S1 | O6 | O5 | 122.4° | 123.0° |
| S1 | N7 | H4 | H5 | 120.0° | 180.0° |
| O15 | S13 | N16 | C17 | 128.8° | 112.1° |
| O15 | S13 | C11 | C10 | 117.7° | 112.3° |
| O15 | S13 | N16 | C19 | 51.5° | 67.9° |
| O15 | S13 | N16 | C11 | 128.2° | 112.1° |
| O15 | S13 | N16 | O14 | 111.2° | 135.9° |
| O15 | S13 | C11 | C12 | 64.1° | 67.8° |
| O15 | S13 | C11 | O14 | 130.1° | 135.8° |
| O18 | C17 | C10 | C9 | 0.2° | 0.4° |
| O18 | C17 | C10 | N16 | 179.9° | 179.9° |
| O18 | C17 | C10 | C11 | 179.4° | 180.0° |
| O18 | C17 | N16 | C19 | 0.3° | 0.1° |
| O18 | C17 | N16 | S13 | 180.0° | 180.0° |
| C8 | C9 | C10 | H2 | 180.0° | 179.9° |
| C9 | C8 | C7 | H1 | 180.0° | 180.0° |
| C8 | C9 | C10 | C17 | 179.8° | 179.9° |
| C8 | C9 | C10 | C11 | 0.6° | 0.4° |
| C9 | C8 | C7 | S1 | 179.9° | 180.0° |
| C9 | C8 | C7 | C12 | 1.8° | 0.3° |
| C10 | C9 | C8 | C7 | 1.2° | 0.1° |
| C9 | C10 | C17 | C11 | 179.6° | 179.6° |
| C9 | C10 | C17 | N16 | 179.8° | 179.6° |
| C9 | C10 | C11 | C12 | 0.8° | 0.4° |
| C9 | C10 | C11 | S13 | 179.4° | 179.7° |
| C10 | C9 | C8 | H1 | 178.8° | 179.9° |
| C8 | C7 | S1 | C12 | 178.0° | 179.7° |
| C8 | C7 | C12 | C11 | 2.1° | 0.3° |
| C8 | C7 | S1 | O6 | 178.8° | 156.7° |
| C8 | C7 | S1 | O5 | 78.7° | 23.8° |
| C7 | C8 | C9 | H2 | 178.8° | 180.0° |
| C8 | C7 | C12 | H3 | 177.9° | 179.6° |
| C10 | C17 | N16 | C19 | 179.7° | 180.0° |
| C10 | C17 | N16 | S13 | 0.1° | 0.1° |
| C17 | C10 | C11 | C12 | 179.6° | 180.0° |
| C17 | C10 | C11 | S13 | 1.0° | 0.0° |
| C17 | C10 | C9 | H2 | 0.2° | 0.1° |
| N16 | C17 | C10 | C11 | 0.6° | 0.1° |
| C17 | N16 | C19 | S13 | 179.6° | 179.9° |
| C17 | N16 | C19 | C20 | 40.5° | 85.0° |
| C17 | N16 | S13 | C11 | 0.6° | 0.0° |
| C17 | N16 | S13 | O14 | 120.0° | 112.0° |
| C17 | N16 | C19 | H6 | 80.0° | 34.9° |
| C17 | N16 | C19 | H7 | 161.1° | 155.0° |
| C10 | C11 | S13 | N16 | 0.9° | 0.0° |
| C10 | C11 | C12 | C7 | 1.5° | 0.1° |
| C10 | C11 | C12 | S13 | 178.2° | 179.9° |
| C10 | C11 | S13 | O14 | 112.3° | 112.0° |
| C11 | C10 | C9 | H2 | 179.3° | 179.7° |
| C10 | C11 | C12 | H3 | 178.5° | 180.0° |
| N16 | C19 | C20 | H6 | 120.5° | 120.0° |
| N16 | C19 | C20 | H7 | 120.5° | 120.1° |
| C19 | N16 | S13 | C11 | 179.7° | 179.9° |
| C19 | N16 | S13 | O14 | 59.7° | 68.1° |
| N16 | C19 | C20 | C21 | 165.5° | 180.0° |
| N16 | C19 | H6 | H7 | 118.4° | 120.1° |
| N16 | C19 | C20 | H8 | 73.6° | 60.0° |
| N16 | C19 | C20 | H9 | 44.6° | 60.0° |
| S13 | N16 | C19 | C20 | 139.1° | 95.1° |
| N16 | S13 | C11 | C12 | 179.2° | 179.9° |
| N16 | S13 | C11 | O14 | 113.2° | 112.0° |
| S13 | N16 | C19 | H6 | 100.4° | 145.0° |
| S13 | N16 | C19 | H7 | 18.6° | 24.9° |
| S1 | C7 | C12 | C11 | 179.9° | 180.0° |
| C7 | S1 | O6 | O5 | 99.3° | 122.9° |
| S1 | C7 | C8 | H1 | 0.1° | 0.1° |
| S1 | C7 | C12 | H3 | 0.1° | 0.1° |
| C7 | S1 | N7 | H4 | 180.0° | 150.0° |
| C7 | S1 | N7 | H5 | 60.0° | 30.0° |
| C7 | C12 | C11 | H3 | 180.0° | 179.9° |
| C7 | C12 | C11 | S13 | 179.7° | 180.0° |
| C12 | C7 | S1 | O6 | 3.2° | 23.6° |
| C12 | C7 | S1 | O5 | 99.3° | 156.5° |
| C12 | C7 | C8 | H1 | 178.2° | 179.8° |
| C19 | C20 | C21 | H8 | 120.9° | 120.0° |
| C19 | C20 | C21 | H9 | 120.9° | 120.0° |
| C19 | C20 | C21 | C29 | 170.1° | 180.0° |
| C20 | C19 | H6 | H7 | 118.4° | 119.9° |
| C19 | C20 | H8 | H9 | 117.1° | 119.9° |
| C19 | C20 | C21 | H10 | 49.6° | 60.0° |
| C19 | C20 | C21 | H11 | 69.4° | 60.0° |
| C12 | C11 | S13 | O14 | 66.0° | 68.0° |
| S13 | C11 | C12 | H3 | 0.3° | 0.1° |
| O6 | S1 | N7 | H4 | 38.1° | 96.4° |
| O6 | S1 | N7 | H5 | 82.0° | 83.5° |
| O5 | S1 | N7 | H4 | 78.9° | 36.5° |
| O5 | S1 | N7 | H5 | 161.1° | 143.5° |
| C20 | C21 | C29 | H10 | 120.5° | 120.0° |
| C20 | C21 | C29 | H11 | 120.5° | 120.0° |
| C20 | C21 | C29 | C30 | 148.5° | 180.0° |
| C21 | C20 | C19 | H6 | 45.0° | 60.0° |
| C21 | C20 | C19 | H7 | 74.0° | 60.0° |
| C21 | C20 | H8 | H9 | 117.2° | 120.0° |
| C20 | C21 | H10 | H11 | 118.5° | 120.0° |
| C20 | C21 | C29 | H12 | 27.8° | 60.0° |
| C20 | C21 | C29 | H13 | 90.9° | 60.0° |
| C21 | C29 | C30 | H12 | 120.6° | 120.0° |
| C21 | C29 | C30 | H13 | 120.7° | 120.0° |
| C29 | C21 | C20 | H8 | 69.0° | 60.0° |
| C29 | C21 | C20 | H9 | 49.2° | 60.0° |
| C29 | C21 | H10 | H11 | 118.4° | 120.1° |
| C21 | C29 | H12 | H13 | 118.0° | 120.1° |
| C21 | C29 | C30 | H14 | 180.0° | 180.0° |
| C21 | C29 | C30 | H15 | 60.0° | 60.0° |
| C21 | C29 | C30 | H16 | 60.0° | 60.0° |
| C30 | C29 | C21 | H10 | 91.0° | 60.0° |
| C30 | C29 | C21 | H11 | 28.0° | 60.1° |
| C30 | C29 | H12 | H13 | 118.0° | 120.0° |
| C29 | C30 | H14 | H15 | 120.0° | 120.1° |
| C29 | C30 | H14 | H16 | 120.0° | 119.9° |
| C29 | C30 | H15 | H16 | 120.0° | 120.0° |
| H1 | C8 | C9 | H2 | 1.2° | 0.0° |
| H6 | C19 | C20 | H8 | 165.9° | 180.0° |
| H6 | C19 | C20 | H9 | 76.0° | 60.0° |
| H7 | C19 | C20 | H8 | 46.9° | 60.1° |
| H7 | C19 | C20 | H9 | 165.1° | 180.0° |
| H8 | C20 | C21 | H10 | 170.5° | 180.0° |
| H8 | C20 | C21 | H11 | 51.5° | 60.0° |
| H9 | C20 | C21 | H10 | 71.3° | 60.0° |
| H9 | C20 | C21 | H11 | 169.7° | 180.0° |
| H10 | C21 | C29 | H12 | 148.3° | 180.0° |
| H10 | C21 | C29 | H13 | 29.7° | 59.9° |
| H11 | C21 | C29 | H12 | 92.7° | 59.9° |
| H11 | C21 | C29 | H13 | 148.6° | 180.0° |
| H12 | C29 | C30 | H14 | 59.3° | 60.0° |
| H12 | C29 | C30 | H15 | 179.4° | 180.0° |
| H12 | C29 | C30 | H16 | 60.6° | 59.9° |
| H13 | C29 | C30 | H14 | 59.4° | 60.1° |
| H13 | C29 | C30 | H15 | 60.7° | 60.0° |
| H13 | C29 | C30 | H16 | 179.3° | 180.0° |
| H14 | C30 | H15 | H16 | 120.0° | 120.0° |
