8BT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | S02 | doub | 1.42Å | 1.47Å | |
| O03 | S02 | doub | 1.42Å | 1.45Å | |
| S02 | C01 | sing | 1.81Å | 1.80Å | |
| S02 | N05 | sing | 1.66Å | 1.71Å | |
| N05 | C06 | sing | 1.47Å | 1.45Å | |
| C06 | C07 | sing | 1.55Å | 1.65Å | |
| C06 | C10 | sing | 1.54Å | 1.37Å | |
| C07 | C08 | sing | 1.55Å | 1.35Å | |
| C10 | C09 | sing | 1.54Å | 1.60Å | |
| C08 | C09 | sing | 1.54Å | 1.59Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| N05 | H6 | sing | 0.97Å | 1.00Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | S02 | O03 | 99.5° | 121.0° |
| O04 | S02 | C01 | 112.4° | 110.5° |
| O04 | S02 | N05 | 109.2° | 104.2° |
| O03 | S02 | C01 | 114.0° | 110.6° |
| O03 | S02 | N05 | 109.2° | 104.3° |
| C01 | S02 | N05 | 111.8° | 104.5° |
| S02 | C01 | H3 | 109.5° | 109.4° |
| S02 | C01 | H4 | 109.4° | 109.5° |
| S02 | C01 | H5 | 109.5° | 109.4° |
| S02 | N05 | C06 | 120.1° | 120.0° |
| S02 | N05 | H6 | 106.7° | 120.1° |
| N05 | C06 | C07 | 113.8° | 110.5° |
| N05 | C06 | C10 | 114.4° | 110.5° |
| C06 | N05 | H6 | 106.7° | 119.9° |
| N05 | C06 | H7 | 107.8° | 110.5° |
| C07 | C06 | C10 | 105.8° | 104.2° |
| C06 | C07 | C08 | 100.3° | 102.8° |
| C07 | C06 | H7 | 105.7° | 110.6° |
| C06 | C07 | H8 | 111.7° | 110.7° |
| C06 | C07 | H9 | 111.7° | 110.8° |
| C06 | C10 | C09 | 105.2° | 106.6° |
| C06 | C10 | H1 | 110.5° | 110.0° |
| C06 | C10 | H2 | 110.5° | 110.1° |
| C10 | C06 | H7 | 109.0° | 110.5° |
| C07 | C08 | C09 | 107.9° | 104.2° |
| C08 | C07 | H8 | 111.7° | 110.8° |
| C08 | C07 | H9 | 111.8° | 110.8° |
| C07 | C08 | H10 | 109.8° | 110.5° |
| C07 | C08 | H11 | 109.9° | 110.5° |
| C10 | C09 | C08 | 102.0° | 106.6° |
| C09 | C10 | H1 | 110.5° | 110.0° |
| C09 | C10 | H2 | 110.5° | 110.1° |
| C10 | C09 | H12 | 111.3° | 110.1° |
| C10 | C09 | H13 | 111.3° | 110.1° |
| C09 | C08 | H10 | 109.9° | 110.5° |
| C09 | C08 | H11 | 109.9° | 110.5° |
| C08 | C09 | H12 | 111.3° | 110.0° |
| C08 | C09 | H13 | 111.3° | 110.0° |
| H1 | C10 | H2 | 109.5° | 109.9° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H8 | C07 | H9 | 109.4° | 110.8° |
| H10 | C08 | H11 | 109.5° | 110.5° |
| H12 | C09 | H13 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | S02 | O03 | C01 | 119.8° | 131.5° |
| O04 | S02 | O03 | N05 | 114.3° | 116.7° |
| O04 | S02 | C01 | N05 | 123.3° | 111.6° |
| O04 | S02 | N05 | C06 | 177.8° | 178.9° |
| O04 | S02 | C01 | H3 | 180.0° | 51.6° |
| O04 | S02 | C01 | H4 | 60.0° | 68.4° |
| O04 | S02 | C01 | H5 | 60.0° | 171.6° |
| O04 | S02 | N05 | H6 | 60.7° | 1.1° |
| O03 | S02 | C01 | N05 | 124.5° | 111.7° |
| O03 | S02 | N05 | C06 | 74.4° | 51.1° |
| O03 | S02 | C01 | H3 | 67.8° | 171.7° |
| O03 | S02 | C01 | H4 | 172.2° | 68.3° |
| O03 | S02 | C01 | H5 | 52.2° | 51.7° |
| O03 | S02 | N05 | H6 | 47.1° | 128.9° |
| C01 | S02 | N05 | C06 | 52.7° | 65.0° |
| S02 | C01 | H3 | H4 | 120.0° | 120.0° |
| S02 | C01 | H3 | H5 | 120.0° | 119.9° |
| S02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | S02 | N05 | H6 | 174.2° | 115.0° |
| S02 | N05 | C06 | H6 | 121.5° | 180.0° |
| S02 | N05 | C06 | C07 | 132.2° | 145.0° |
| S02 | N05 | C06 | C10 | 106.1° | 100.2° |
| N05 | S02 | C01 | H3 | 56.7° | 60.0° |
| N05 | S02 | C01 | H4 | 63.3° | 180.0° |
| N05 | S02 | C01 | H5 | 176.7° | 60.0° |
| S02 | N05 | C06 | H7 | 15.4° | 22.3° |
| N05 | C06 | C07 | C10 | 126.4° | 118.7° |
| N05 | C06 | C07 | H7 | 118.1° | 122.7° |
| N05 | C06 | C10 | H7 | 120.8° | 122.6° |
| N05 | C06 | C07 | C08 | 171.4° | 156.6° |
| N05 | C06 | C10 | C09 | 156.2° | 142.3° |
| N05 | C06 | C10 | H1 | 36.9° | 23.0° |
| N05 | C06 | C10 | H2 | 84.5° | 98.3° |
| N05 | C06 | C07 | H8 | 70.1° | 85.1° |
| N05 | C06 | C07 | H9 | 52.9° | 38.3° |
| C07 | C06 | C10 | H7 | 113.2° | 118.8° |
| C06 | C07 | C08 | H8 | 118.5° | 118.3° |
| C06 | C07 | C08 | H9 | 118.5° | 118.3° |
| C07 | C06 | C10 | C09 | 30.2° | 23.6° |
| C06 | C07 | C08 | C09 | 37.6° | 38.0° |
| C07 | C06 | C10 | H1 | 89.2° | 95.7° |
| C07 | C06 | C10 | H2 | 149.5° | 143.0° |
| C07 | C06 | N05 | H6 | 10.7° | 34.9° |
| C06 | C07 | H8 | H9 | 124.3° | 123.3° |
| C06 | C07 | C08 | H10 | 82.1° | 80.7° |
| C06 | C07 | C08 | H11 | 157.4° | 156.7° |
| C10 | C06 | C07 | C08 | 45.0° | 37.9° |
| C06 | C10 | C09 | H1 | 119.3° | 119.3° |
| C06 | C10 | C09 | H2 | 119.3° | 119.4° |
| C06 | C10 | C09 | C08 | 8.5° | 0.0° |
| C06 | C10 | H1 | H2 | 122.0° | 121.4° |
| C10 | C06 | N05 | H6 | 132.5° | 79.8° |
| C10 | C06 | C07 | H8 | 163.5° | 156.2° |
| C10 | C06 | C07 | H9 | 73.5° | 80.4° |
| C06 | C10 | C09 | H12 | 127.3° | 119.3° |
| C06 | C10 | C09 | H13 | 110.2° | 119.3° |
| C07 | C08 | C09 | C10 | 21.7° | 23.6° |
| C07 | C08 | C09 | H10 | 119.7° | 118.7° |
| C07 | C08 | C09 | H11 | 119.7° | 118.7° |
| C08 | C07 | C06 | H7 | 70.5° | 80.7° |
| C08 | C07 | H8 | H9 | 124.3° | 123.4° |
| C07 | C08 | H10 | H11 | 120.7° | 122.6° |
| C07 | C08 | C09 | H12 | 97.0° | 95.7° |
| C07 | C08 | C09 | H13 | 140.5° | 142.9° |
| C10 | C09 | C08 | H12 | 118.8° | 119.3° |
| C10 | C09 | C08 | H13 | 118.8° | 119.3° |
| C09 | C10 | H1 | H2 | 121.9° | 121.4° |
| C09 | C10 | C06 | H7 | 83.0° | 95.2° |
| C10 | C09 | C08 | H10 | 98.0° | 95.1° |
| C10 | C09 | C08 | H11 | 141.5° | 142.3° |
| C10 | C09 | H12 | H13 | 123.5° | 121.5° |
| C08 | C09 | C10 | H1 | 110.8° | 119.3° |
| C08 | C09 | C10 | H2 | 127.9° | 119.4° |
| C09 | C08 | C07 | H8 | 156.1° | 156.2° |
| C09 | C08 | C07 | H9 | 80.9° | 80.4° |
| C09 | C08 | H10 | H11 | 120.7° | 122.7° |
| C08 | C09 | H12 | H13 | 123.5° | 121.4° |
| H1 | C10 | C06 | H7 | 157.6° | 145.5° |
| H1 | C10 | C09 | H12 | 8.0° | 0.0° |
| H1 | C10 | C09 | H13 | 130.4° | 121.4° |
| H2 | C10 | C06 | H7 | 36.3° | 24.2° |
| H2 | C10 | C09 | H12 | 113.3° | 121.3° |
| H2 | C10 | C09 | H13 | 9.1° | 0.1° |
| H3 | C01 | H4 | H5 | 120.0° | 120.1° |
| H6 | N05 | C06 | H7 | 106.1° | 157.7° |
| H7 | C06 | C07 | H8 | 48.0° | 37.6° |
| H7 | C06 | C07 | H9 | 171.0° | 160.9° |
| H8 | C07 | C08 | H10 | 36.4° | 37.6° |
| H8 | C07 | C08 | H11 | 84.1° | 85.1° |
| H9 | C07 | C08 | H10 | 159.4° | 160.9° |
| H9 | C07 | C08 | H11 | 38.9° | 38.3° |
| H10 | C08 | C09 | H12 | 143.2° | 145.6° |
| H10 | C08 | C09 | H13 | 20.8° | 24.3° |
| H11 | C08 | C09 | H12 | 22.7° | 23.0° |
| H11 | C08 | C09 | H13 | 99.8° | 98.4° |
