T6S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C20 | sing | 1.43Å | 1.42Å | |
| C20 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | O13 | sing | 1.43Å | 1.49Å | |
| C12 | C17 | sing | 1.53Å | 1.52Å | |
| O13 | C14 | sing | 1.43Å | 1.51Å | |
| O23 | C17 | sing | 1.43Å | 1.42Å | |
| C17 | C16 | sing | 1.53Å | 1.42Å | |
| C05 | C04 | sing | 1.53Å | 1.56Å | |
| C05 | O06 | sing | 1.43Å | 1.45Å | |
| C05 | O22 | sing | 1.43Å | 1.42Å | |
| O07 | C04 | sing | 1.43Å | 1.40Å | |
| C04 | C03 | sing | 1.53Å | 1.50Å | |
| O06 | C01 | sing | 1.43Å | 1.45Å | |
| C14 | O22 | sing | 1.43Å | 1.40Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| O27 | S24 | doub | 1.42Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.43Å | |
| C16 | O18 | sing | 1.43Å | 1.41Å | |
| O26 | S24 | doub | 1.42Å | 1.64Å | |
| C15 | O19 | sing | 1.43Å | 1.41Å | |
| C03 | O10 | sing | 1.43Å | 1.42Å | |
| C03 | C02 | sing | 1.53Å | 1.49Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C01 | C09 | sing | 1.53Å | 1.52Å | |
| C02 | O08 | sing | 1.43Å | 1.41Å | |
| S24 | O11 | sing | 1.52Å | 1.67Å | |
| S24 | O25 | sing | 1.52Å | 1.64Å | |
| O11 | C09 | sing | 1.43Å | 1.41Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| O07 | H15 | sing | 0.97Å | 0.95Å | |
| O08 | H16 | sing | 0.97Å | 0.95Å | |
| O10 | H17 | sing | 0.97Å | 0.95Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å | |
| O21 | H20 | sing | 0.97Å | 0.95Å | |
| O23 | H21 | sing | 0.97Å | 0.95Å | |
| O25 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C20 | C12 | 109.1° | 109.5° |
| O21 | C20 | H13 | 109.5° | 109.4° |
| O21 | C20 | H14 | 109.6° | 109.5° |
| C20 | O21 | H20 | 109.5° | 114.0° |
| C20 | C12 | O13 | 114.3° | 109.5° |
| C20 | C12 | C17 | 118.7° | 109.5° |
| C20 | C12 | H8 | 104.6° | 109.5° |
| C12 | C20 | H13 | 109.6° | 109.4° |
| C12 | C20 | H14 | 109.6° | 109.5° |
| O13 | C12 | C17 | 108.2° | 109.4° |
| C12 | O13 | C14 | 122.4° | 114.1° |
| O13 | C12 | H8 | 105.0° | 109.4° |
| C12 | C17 | O23 | 95.6° | 109.5° |
| C12 | C17 | C16 | 111.7° | 109.1° |
| C17 | C12 | H8 | 104.7° | 109.5° |
| C12 | C17 | H12 | 111.3° | 109.5° |
| O13 | C14 | O22 | 99.2° | 109.4° |
| O13 | C14 | C15 | 101.7° | 109.4° |
| O13 | C14 | H9 | 112.7° | 109.5° |
| O23 | C17 | C16 | 111.0° | 109.6° |
| O23 | C17 | H12 | 113.0° | 109.6° |
| C17 | O23 | H21 | 109.5° | 114.0° |
| C17 | C16 | C15 | 107.5° | 109.1° |
| C17 | C16 | O18 | 112.4° | 109.5° |
| C17 | C16 | H11 | 111.1° | 109.6° |
| C16 | C17 | H12 | 113.0° | 109.6° |
| C04 | C05 | O06 | 108.8° | 109.4° |
| C04 | C05 | O22 | 112.2° | 109.5° |
| C05 | C04 | O07 | 113.8° | 109.6° |
| C05 | C04 | C03 | 113.6° | 109.2° |
| C05 | C04 | H4 | 107.6° | 109.5° |
| C04 | C05 | H5 | 106.9° | 109.5° |
| O06 | C05 | O22 | 111.9° | 109.5° |
| C05 | O06 | C01 | 104.3° | 114.1° |
| O06 | C05 | H5 | 108.3° | 109.4° |
| C05 | O22 | C14 | 116.5° | 114.1° |
| O22 | C05 | H5 | 108.6° | 109.5° |
| O07 | C04 | C03 | 103.6° | 109.5° |
| O07 | C04 | H4 | 109.7° | 109.5° |
| C04 | O07 | H15 | 109.5° | 114.0° |
| C04 | C03 | O10 | 117.2° | 109.5° |
| C04 | C03 | C02 | 111.5° | 109.0° |
| C04 | C03 | H3 | 105.7° | 109.6° |
| C03 | C04 | H4 | 108.3° | 109.5° |
| O06 | C01 | C02 | 106.9° | 109.4° |
| O06 | C01 | C09 | 103.8° | 109.5° |
| O06 | C01 | H1 | 115.9° | 109.5° |
| O22 | C14 | C15 | 115.1° | 109.5° |
| O22 | C14 | H9 | 114.5° | 109.5° |
| C14 | C15 | C16 | 117.9° | 109.1° |
| C14 | C15 | O19 | 91.1° | 109.5° |
| C15 | C14 | H9 | 112.1° | 109.5° |
| C14 | C15 | H10 | 107.3° | 109.5° |
| O27 | S24 | O26 | 109.5° | 123.2° |
| O27 | S24 | O11 | 109.3° | 106.4° |
| O27 | S24 | O25 | 109.5° | 106.4° |
| C15 | C16 | O18 | 103.3° | 109.5° |
| C16 | C15 | O19 | 121.3° | 109.5° |
| C16 | C15 | H10 | 108.7° | 109.6° |
| C15 | C16 | H11 | 110.9° | 109.6° |
| O18 | C16 | H11 | 111.3° | 109.5° |
| C16 | O18 | H18 | 109.5° | 113.9° |
| O26 | S24 | O11 | 109.4° | 106.4° |
| O26 | S24 | O25 | 109.7° | 106.4° |
| O19 | C15 | H10 | 109.0° | 109.5° |
| C15 | O19 | H19 | 109.5° | 114.0° |
| O10 | C03 | C02 | 109.0° | 109.6° |
| O10 | C03 | H3 | 106.7° | 109.5° |
| C03 | O10 | H17 | 109.5° | 114.0° |
| C03 | C02 | C01 | 106.9° | 109.2° |
| C03 | C02 | O08 | 103.3° | 109.5° |
| C03 | C02 | H2 | 112.6° | 109.6° |
| C02 | C03 | H3 | 105.9° | 109.5° |
| C02 | C01 | C09 | 99.5° | 109.5° |
| C01 | C02 | O08 | 107.5° | 109.5° |
| C02 | C01 | H1 | 114.5° | 109.5° |
| C01 | C02 | H2 | 112.1° | 109.5° |
| C01 | C09 | O11 | 101.7° | 109.5° |
| C09 | C01 | H1 | 114.5° | 109.4° |
| C01 | C09 | H6 | 111.4° | 109.5° |
| C01 | C09 | H7 | 111.4° | 109.5° |
| O08 | C02 | H2 | 113.9° | 109.5° |
| C02 | O08 | H16 | 109.5° | 114.0° |
| O11 | S24 | O25 | 109.4° | 107.2° |
| S24 | O11 | C09 | 113.9° | 114.0° |
| S24 | O25 | H22 | 109.5° | 114.0° |
| O11 | C09 | H6 | 111.4° | 109.5° |
| O11 | C09 | H7 | 111.4° | 109.4° |
| H6 | C09 | H7 | 109.5° | 109.4° |
| H13 | C20 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C20 | C12 | H13 | 119.9° | 120.0° |
| O21 | C20 | C12 | H14 | 119.9° | 120.1° |
| O21 | C20 | C12 | O13 | 63.9° | 65.0° |
| O21 | C20 | C12 | C17 | 65.8° | 175.0° |
| O21 | C20 | C12 | H8 | 178.1° | 54.9° |
| O21 | C20 | H13 | H14 | 120.2° | 120.0° |
| C20 | C12 | O13 | C17 | 134.7° | 120.0° |
| C20 | C12 | O13 | H8 | 114.0° | 120.0° |
| C20 | C12 | C17 | H8 | 116.1° | 120.1° |
| C20 | C12 | O13 | C14 | 179.6° | 178.9° |
| C20 | C12 | C17 | O23 | 59.6° | 62.5° |
| C20 | C12 | C17 | C16 | 174.9° | 177.6° |
| C20 | C12 | C17 | H12 | 57.8° | 57.6° |
| C12 | C20 | H13 | H14 | 120.2° | 120.0° |
| C12 | C20 | O21 | H20 | 180.0° | 180.0° |
| O13 | C12 | C17 | H8 | 111.6° | 119.9° |
| O13 | C12 | C17 | O23 | 168.1° | 177.5° |
| O13 | C12 | C17 | C16 | 52.8° | 57.5° |
| C12 | O13 | C14 | O22 | 75.6° | 58.9° |
| C12 | O13 | C14 | C15 | 42.6° | 61.1° |
| C12 | O13 | C14 | H9 | 162.8° | 178.9° |
| O13 | C12 | C17 | H12 | 74.6° | 62.4° |
| O13 | C12 | C20 | H13 | 176.2° | 175.0° |
| O13 | C12 | C20 | H14 | 56.1° | 55.0° |
| C17 | C12 | O13 | C14 | 45.8° | 61.1° |
| C12 | C17 | O23 | C16 | 115.8° | 119.7° |
| C12 | C17 | O23 | H12 | 116.0° | 120.1° |
| C12 | C17 | C16 | H12 | 126.4° | 119.9° |
| C12 | C17 | C16 | C15 | 62.9° | 57.0° |
| C12 | C17 | C16 | O18 | 175.9° | 176.8° |
| C12 | C17 | C16 | H11 | 58.6° | 63.0° |
| C17 | C12 | C20 | H13 | 54.2° | 55.0° |
| C17 | C12 | C20 | H14 | 174.3° | 64.9° |
| C12 | C17 | O23 | H21 | 180.0° | 180.0° |
| O13 | C14 | O22 | C05 | 79.5° | 70.1° |
| O13 | C14 | O22 | C15 | 107.6° | 120.0° |
| O13 | C14 | O22 | H9 | 120.2° | 120.0° |
| O13 | C14 | C15 | H9 | 120.6° | 120.0° |
| O13 | C14 | C15 | C16 | 51.9° | 57.6° |
| O13 | C14 | C15 | O19 | 178.6° | 177.5° |
| C14 | O13 | C12 | H8 | 65.6° | 58.9° |
| O13 | C14 | C15 | H10 | 71.1° | 62.4° |
| O23 | C17 | C16 | H12 | 128.2° | 120.2° |
| O23 | C17 | C16 | C15 | 168.3° | 176.9° |
| O23 | C17 | C16 | O18 | 78.7° | 63.2° |
| O23 | C17 | C12 | H8 | 56.5° | 57.6° |
| O23 | C17 | C16 | H11 | 46.7° | 56.9° |
| C17 | C16 | C15 | C14 | 66.2° | 57.0° |
| C17 | C16 | C15 | O18 | 119.0° | 119.8° |
| C17 | C16 | C15 | H11 | 121.7° | 120.0° |
| C17 | C16 | O18 | H11 | 125.4° | 120.2° |
| C17 | C16 | C15 | O19 | 176.6° | 176.9° |
| C16 | C17 | C12 | H8 | 58.8° | 62.4° |
| C17 | C16 | C15 | H10 | 56.0° | 62.9° |
| C17 | C16 | O18 | H18 | 180.0° | 179.6° |
| C16 | C17 | O23 | H21 | 64.2° | 60.3° |
| C04 | C05 | O06 | O22 | 124.5° | 120.0° |
| C04 | C05 | O06 | H5 | 115.8° | 120.0° |
| C04 | C05 | O22 | H5 | 117.9° | 120.1° |
| C05 | C04 | O07 | C03 | 123.9° | 119.7° |
| C05 | C04 | O07 | H4 | 120.6° | 120.2° |
| C05 | C04 | C03 | H4 | 119.5° | 119.9° |
| C04 | C05 | O06 | C01 | 65.0° | 61.1° |
| C04 | C05 | O22 | C14 | 178.9° | 170.0° |
| C05 | C04 | C03 | O10 | 170.7° | 176.9° |
| C05 | C04 | C03 | C02 | 44.0° | 57.0° |
| C05 | C04 | C03 | H3 | 70.6° | 62.9° |
| C05 | C04 | O07 | H15 | 180.0° | 60.3° |
| O06 | C05 | O22 | H5 | 119.5° | 120.0° |
| O06 | C05 | C04 | O07 | 168.5° | 177.5° |
| O06 | C05 | C04 | C03 | 50.2° | 57.6° |
| O06 | C05 | O22 | C14 | 58.5° | 70.0° |
| C05 | O06 | C01 | C02 | 77.2° | 61.1° |
| C05 | O06 | C01 | C09 | 178.2° | 178.8° |
| C05 | O06 | C01 | H1 | 51.8° | 58.9° |
| O06 | C05 | C04 | H4 | 69.8° | 62.3° |
| O22 | C05 | C04 | O07 | 44.2° | 57.5° |
| O22 | C05 | C04 | C03 | 74.1° | 62.4° |
| O22 | C05 | O06 | C01 | 59.5° | 58.9° |
| C05 | O22 | C14 | C15 | 172.8° | 170.0° |
| O22 | C05 | C04 | H4 | 165.9° | 177.7° |
| C05 | O22 | C14 | H9 | 40.7° | 49.9° |
| O07 | C04 | C03 | H4 | 116.4° | 120.1° |
| O07 | C04 | C03 | O10 | 65.3° | 63.2° |
| O07 | C04 | C03 | C02 | 168.1° | 176.9° |
| O07 | C04 | C03 | H3 | 53.4° | 57.0° |
| O07 | C04 | C05 | H5 | 74.8° | 62.5° |
| C04 | C03 | O10 | C02 | 127.9° | 119.6° |
| C04 | C03 | O10 | H3 | 118.2° | 120.3° |
| C04 | C03 | C02 | H3 | 114.5° | 119.9° |
| C04 | C03 | C02 | C01 | 52.2° | 57.0° |
| C04 | C03 | C02 | O08 | 165.4° | 176.9° |
| C04 | C03 | C02 | H2 | 71.2° | 63.0° |
| C03 | C04 | C05 | H5 | 166.9° | 177.6° |
| C03 | C04 | O07 | H15 | 56.1° | 180.0° |
| C04 | C03 | O10 | H17 | 180.0° | 60.5° |
| O06 | C01 | C02 | C03 | 70.3° | 57.6° |
| O06 | C01 | C02 | C09 | 107.6° | 120.0° |
| O06 | C01 | C02 | H1 | 129.8° | 120.0° |
| O06 | C01 | C09 | H1 | 127.3° | 120.0° |
| O06 | C01 | C02 | O08 | 179.3° | 177.5° |
| O06 | C01 | C09 | O11 | 63.2° | 65.0° |
| O06 | C01 | C02 | H2 | 53.5° | 62.4° |
| C01 | O06 | C05 | H5 | 179.2° | 178.9° |
| O06 | C01 | C09 | H6 | 178.0° | 174.9° |
| O06 | C01 | C09 | H7 | 55.5° | 55.0° |
| O22 | C14 | C15 | H9 | 133.3° | 120.0° |
| O22 | C14 | C15 | C16 | 54.2° | 62.4° |
| O22 | C14 | C15 | O19 | 72.5° | 57.5° |
| C14 | O22 | C05 | H5 | 61.0° | 50.0° |
| O22 | C14 | C15 | H10 | 177.2° | 177.7° |
| C14 | C15 | C16 | O19 | 110.4° | 119.9° |
| C14 | C15 | C16 | H10 | 122.3° | 119.9° |
| C14 | C15 | C16 | O18 | 174.8° | 176.8° |
| C14 | C15 | O19 | H10 | 108.7° | 120.1° |
| C14 | C15 | C16 | H11 | 55.5° | 63.0° |
| C14 | C15 | O19 | H19 | 180.0° | 60.0° |
| O27 | S24 | O26 | O11 | 119.8° | 123.0° |
| O27 | S24 | O26 | O25 | 120.2° | 122.9° |
| O27 | S24 | O11 | O25 | 119.9° | 113.5° |
| O27 | S24 | O11 | C09 | 157.7° | 38.5° |
| O27 | S24 | O25 | H22 | 0.0° | 66.5° |
| C15 | C16 | O18 | H11 | 119.1° | 120.2° |
| C16 | C15 | O19 | H10 | 127.2° | 120.2° |
| C16 | C15 | C14 | H9 | 172.5° | 177.6° |
| C15 | C16 | C17 | H12 | 63.5° | 62.9° |
| C15 | C16 | O18 | H18 | 64.5° | 60.0° |
| C16 | C15 | O19 | H19 | 56.0° | 179.7° |
| O18 | C16 | C15 | O19 | 64.4° | 63.3° |
| O18 | C16 | C15 | H10 | 63.0° | 56.9° |
| O18 | C16 | C17 | H12 | 49.5° | 57.0° |
| O26 | S24 | O11 | O25 | 120.2° | 113.5° |
| O26 | S24 | O11 | C09 | 37.8° | 171.4° |
| O26 | S24 | O25 | H22 | 120.2° | 66.5° |
| O19 | C15 | C14 | H9 | 60.8° | 62.5° |
| O19 | C15 | C16 | H11 | 54.9° | 56.9° |
| O10 | C03 | C02 | H3 | 114.4° | 120.2° |
| O10 | C03 | C02 | C01 | 176.7° | 176.9° |
| O10 | C03 | C02 | O08 | 63.5° | 63.3° |
| O10 | C03 | C02 | H2 | 59.8° | 56.9° |
| O10 | C03 | C04 | H4 | 51.2° | 56.9° |
| C03 | C02 | C01 | O08 | 110.4° | 119.9° |
| C03 | C02 | C01 | H2 | 123.8° | 120.0° |
| C03 | C02 | C01 | C09 | 177.9° | 177.6° |
| C03 | C02 | O08 | H2 | 122.5° | 120.2° |
| C03 | C02 | C01 | H1 | 59.5° | 62.4° |
| C02 | C03 | C04 | H4 | 75.5° | 63.0° |
| C03 | C02 | O08 | H16 | 180.0° | 60.4° |
| C02 | C03 | O10 | H17 | 52.1° | 179.9° |
| C02 | C01 | C09 | H1 | 122.6° | 120.1° |
| C01 | C02 | O08 | H2 | 124.7° | 120.1° |
| C02 | C01 | C09 | O11 | 173.3° | 175.1° |
| C01 | C02 | C03 | H3 | 62.3° | 63.0° |
| C02 | C01 | C09 | H6 | 67.9° | 55.0° |
| C02 | C01 | C09 | H7 | 54.6° | 65.0° |
| C01 | C02 | O08 | H16 | 67.2° | 180.0° |
| C09 | C01 | C02 | O08 | 71.7° | 62.5° |
| C01 | C09 | O11 | S24 | 162.6° | 180.0° |
| C01 | C09 | O11 | H6 | 118.7° | 120.1° |
| C01 | C09 | O11 | H7 | 118.8° | 120.0° |
| C09 | C01 | C02 | H2 | 54.1° | 57.6° |
| C01 | C09 | H6 | H7 | 123.6° | 120.0° |
| O08 | C02 | C01 | H1 | 50.9° | 57.5° |
| O08 | C02 | C03 | H3 | 50.9° | 56.9° |
| S24 | O11 | C09 | H6 | 78.7° | 59.9° |
| S24 | O11 | C09 | H7 | 43.8° | 60.0° |
| O11 | S24 | O25 | H22 | 119.8° | 180.0° |
| O25 | S24 | O11 | C09 | 82.4° | 75.1° |
| O11 | C09 | C01 | H1 | 64.1° | 55.0° |
| O11 | C09 | H6 | H7 | 123.6° | 119.9° |
| H1 | C01 | C02 | H2 | 176.7° | 177.6° |
| H1 | C01 | C09 | H6 | 54.7° | 65.1° |
| H1 | C01 | C09 | H7 | 177.2° | 175.0° |
| H2 | C02 | C03 | H3 | 174.2° | 177.1° |
| H2 | C02 | O08 | H16 | 57.5° | 59.9° |
| H3 | C03 | C04 | H4 | 169.9° | 177.1° |
| H3 | C03 | O10 | H17 | 61.8° | 59.8° |
| H4 | C04 | C05 | H5 | 47.0° | 57.7° |
| H4 | C04 | O07 | H15 | 59.4° | 59.8° |
| H8 | C12 | C17 | H12 | 173.9° | 177.7° |
| H8 | C12 | C20 | H13 | 62.0° | 65.0° |
| H8 | C12 | C20 | H14 | 58.2° | 175.0° |
| H9 | C14 | C15 | H10 | 49.5° | 57.6° |
| H10 | C15 | C16 | H11 | 177.8° | 177.1° |
| H10 | C15 | O19 | H19 | 71.2° | 60.1° |
| H11 | C16 | C17 | H12 | 174.9° | 177.2° |
| H11 | C16 | O18 | H18 | 54.6° | 60.2° |
| H12 | C17 | O23 | H21 | 64.0° | 59.9° |
| H13 | C20 | O21 | H20 | 60.0° | 60.1° |
| H14 | C20 | O21 | H20 | 60.1° | 59.9° |
