MSH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | O2 | doub | 1.42Å | 1.56Å | |
| S1 | O3 | doub | 1.42Å | 1.47Å | |
| S1 | C4 | sing | 1.81Å | 1.75Å | |
| S1 | C7 | sing | 1.81Å | 2.25Å | |
| C4 | HC41 | sing | 1.09Å | 1.12Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C4 | HC43 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.85Å | |
| C5 | HC51 | sing | 1.09Å | 1.12Å | |
| C5 | HC52 | sing | 1.09Å | 1.11Å | |
| C5 | HC53 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.46Å | |
| C6 | HC61 | sing | 1.09Å | 1.12Å | |
| C6 | HC62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.74Å | |
| C7 | HC71 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.76Å | |
| C8 | HC81 | sing | 1.09Å | 1.11Å | |
| C8 | HC82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.74Å | |
| C9 | HC91 | sing | 1.09Å | 1.12Å | |
| C9 | HC92 | sing | 1.09Å | 1.12Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C10 | H103 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S1 | O3 | 109.5° | 119.6° |
| O2 | S1 | C4 | 147.4° | 109.0° |
| O2 | S1 | C7 | 91.1° | 109.0° |
| O3 | S1 | C4 | 70.7° | 109.0° |
| O3 | S1 | C7 | 153.1° | 109.0° |
| C4 | S1 | C7 | 82.6° | 99.4° |
| S1 | C4 | HC41 | 147.4° | 109.5° |
| S1 | C4 | HC42 | 99.6° | 109.5° |
| S1 | C4 | HC43 | 99.6° | 109.5° |
| S1 | C7 | C6 | 159.4° | 109.4° |
| S1 | C7 | C8 | 102.7° | 109.5° |
| S1 | C7 | HC71 | 79.5° | 109.5° |
| HC41 | C4 | HC42 | 99.5° | 109.5° |
| HC41 | C4 | HC43 | 99.6° | 109.5° |
| HC42 | C4 | HC43 | 107.3° | 109.4° |
| C6 | C5 | HC51 | 137.8° | 109.5° |
| C6 | C5 | HC52 | 102.6° | 109.5° |
| C6 | C5 | HC53 | 102.5° | 109.5° |
| C5 | C6 | C7 | 137.8° | 109.5° |
| C5 | C6 | HC61 | 102.6° | 109.5° |
| C5 | C6 | HC62 | 102.6° | 109.4° |
| HC51 | C5 | HC52 | 102.6° | 109.4° |
| HC51 | C5 | HC53 | 102.6° | 109.4° |
| HC52 | C5 | HC53 | 105.7° | 109.5° |
| C7 | C6 | HC61 | 102.6° | 109.5° |
| C7 | C6 | HC62 | 102.6° | 109.4° |
| C6 | C7 | C8 | 89.0° | 109.5° |
| C6 | C7 | HC71 | 95.4° | 109.4° |
| HC61 | C6 | HC62 | 105.6° | 109.4° |
| C8 | C7 | HC71 | 159.7° | 109.5° |
| C7 | C8 | C9 | 143.7° | 109.5° |
| C7 | C8 | HC81 | 100.7° | 109.5° |
| C7 | C8 | HC82 | 100.7° | 109.5° |
| C9 | C8 | HC81 | 100.7° | 109.4° |
| C9 | C8 | HC82 | 100.8° | 109.5° |
| C8 | C9 | C10 | 172.1° | 109.5° |
| C8 | C9 | HC91 | 92.3° | 109.4° |
| C8 | C9 | HC92 | 92.3° | 109.5° |
| HC81 | C8 | HC82 | 106.7° | 109.4° |
| C10 | C9 | HC91 | 92.3° | 109.5° |
| C10 | C9 | HC92 | 92.3° | 109.5° |
| C9 | C10 | H101 | 172.1° | 109.6° |
| C9 | C10 | H102 | 92.3° | 109.4° |
| C9 | C10 | H103 | 92.3° | 109.5° |
| HC91 | C9 | HC92 | 109.3° | 109.5° |
| H101 | C10 | H102 | 92.3° | 109.5° |
| H101 | C10 | H103 | 92.3° | 109.4° |
| H102 | C10 | H103 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S1 | O3 | C4 | 145.4° | 126.2° |
| O2 | S1 | O3 | C7 | 137.6° | 126.2° |
| O2 | S1 | C4 | C7 | 80.3° | 113.9° |
| O2 | S1 | C4 | HC41 | 180.0° | 66.0° |
| O2 | S1 | C4 | HC42 | 54.8° | 174.0° |
| O2 | S1 | C4 | HC43 | 54.7° | 54.0° |
| O2 | S1 | C7 | C6 | 121.8° | 174.5° |
| O2 | S1 | C7 | C8 | 114.9° | 54.4° |
| O2 | S1 | C7 | HC71 | 44.5° | 65.6° |
| O3 | S1 | C4 | C7 | 176.4° | 114.0° |
| O3 | S1 | C4 | HC41 | 83.8° | 66.1° |
| O3 | S1 | C4 | HC42 | 150.9° | 53.9° |
| O3 | S1 | C4 | HC43 | 41.4° | 173.9° |
| O3 | S1 | C7 | C6 | 97.7° | 53.4° |
| O3 | S1 | C7 | C8 | 25.6° | 173.5° |
| O3 | S1 | C7 | HC71 | 175.0° | 66.5° |
| S1 | C4 | HC41 | HC42 | 125.2° | 120.0° |
| S1 | C4 | HC41 | HC43 | 125.3° | 120.1° |
| S1 | C4 | HC42 | HC43 | 103.3° | 120.0° |
| C4 | S1 | C7 | C6 | 90.3° | 60.5° |
| C4 | S1 | C7 | C8 | 33.0° | 59.5° |
| C4 | S1 | C7 | HC71 | 167.5° | 179.6° |
| C7 | S1 | C4 | HC41 | 99.7° | 180.0° |
| C7 | S1 | C4 | HC42 | 25.5° | 60.0° |
| C7 | S1 | C4 | HC43 | 135.0° | 59.9° |
| S1 | C7 | C6 | C5 | 179.3° | 67.3° |
| S1 | C7 | C6 | C8 | 125.3° | 120.0° |
| S1 | C7 | C6 | HC71 | 74.5° | 119.9° |
| S1 | C7 | C6 | HC61 | 54.0° | 172.6° |
| S1 | C7 | C6 | HC62 | 55.4° | 52.7° |
| S1 | C7 | C8 | HC71 | 94.0° | 120.0° |
| S1 | C7 | C8 | C9 | 168.9° | 66.7° |
| S1 | C7 | C8 | HC81 | 43.6° | 173.3° |
| S1 | C7 | C8 | HC82 | 65.9° | 53.3° |
| HC41 | C4 | HC42 | HC43 | 103.2° | 120.0° |
| C6 | C5 | HC51 | HC52 | 125.2° | 120.1° |
| C6 | C5 | HC51 | HC53 | 125.2° | 120.0° |
| C6 | C5 | HC52 | HC53 | 107.1° | 120.0° |
| C5 | C6 | C7 | HC61 | 125.3° | 120.1° |
| C5 | C6 | C7 | HC62 | 125.3° | 119.9° |
| C5 | C6 | HC61 | HC62 | 107.1° | 120.0° |
| C5 | C6 | C7 | C8 | 55.3° | 172.7° |
| C5 | C6 | C7 | HC71 | 104.9° | 52.7° |
| HC51 | C5 | HC52 | HC53 | 107.1° | 119.9° |
| HC51 | C5 | C6 | C7 | 180.0° | 171.0° |
| HC51 | C5 | C6 | HC61 | 54.7° | 50.9° |
| HC51 | C5 | C6 | HC62 | 54.7° | 69.1° |
| HC52 | C5 | C6 | C7 | 54.8° | 69.0° |
| HC52 | C5 | C6 | HC61 | 70.5° | 170.9° |
| HC52 | C5 | C6 | HC62 | 179.9° | 50.9° |
| HC53 | C5 | C6 | C7 | 54.8° | 51.0° |
| HC53 | C5 | C6 | HC61 | 179.9° | 69.1° |
| HC53 | C5 | C6 | HC62 | 70.5° | 170.9° |
| C7 | C6 | HC61 | HC62 | 107.1° | 119.9° |
| C6 | C7 | C8 | HC71 | 103.1° | 120.0° |
| C6 | C7 | C8 | C9 | 28.3° | 173.3° |
| C6 | C7 | C8 | HC81 | 153.5° | 53.3° |
| C6 | C7 | C8 | HC82 | 97.0° | 66.6° |
| HC61 | C6 | C7 | C8 | 179.4° | 52.6° |
| HC61 | C6 | C7 | HC71 | 20.4° | 67.4° |
| HC62 | C6 | C7 | C8 | 70.0° | 67.3° |
| HC62 | C6 | C7 | HC71 | 129.8° | 172.6° |
| C7 | C8 | C9 | HC81 | 125.3° | 120.0° |
| C7 | C8 | C9 | HC82 | 125.2° | 120.1° |
| C7 | C8 | HC81 | HC82 | 104.7° | 120.0° |
| C7 | C8 | C9 | C10 | 98.3° | 173.7° |
| C7 | C8 | C9 | HC91 | 136.3° | 66.4° |
| C7 | C8 | C9 | HC92 | 26.9° | 53.6° |
| HC71 | C7 | C8 | C9 | 74.9° | 53.3° |
| HC71 | C7 | C8 | HC81 | 50.4° | 66.7° |
| HC71 | C7 | C8 | HC82 | 159.9° | 173.4° |
| C9 | C8 | HC81 | HC82 | 104.8° | 120.0° |
| C8 | C9 | C10 | HC91 | 125.3° | 120.0° |
| C8 | C9 | C10 | HC92 | 125.3° | 120.1° |
| C8 | C9 | HC91 | HC92 | 93.2° | 120.0° |
| C8 | C9 | C10 | H101 | 180.0° | 180.0° |
| C8 | C9 | C10 | H102 | 54.7° | 60.0° |
| C8 | C9 | C10 | H103 | 54.8° | 60.0° |
| HC81 | C8 | C9 | C10 | 26.9° | 53.7° |
| HC81 | C8 | C9 | HC91 | 98.4° | 173.7° |
| HC81 | C8 | C9 | HC92 | 152.2° | 66.4° |
| HC82 | C8 | C9 | C10 | 136.4° | 66.3° |
| HC82 | C8 | C9 | HC91 | 11.1° | 53.7° |
| HC82 | C8 | C9 | HC92 | 98.3° | 173.7° |
| C10 | C9 | HC91 | HC92 | 93.2° | 120.0° |
| C9 | C10 | H101 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H103 | 125.2° | 120.0° |
| C9 | C10 | H102 | H103 | 93.2° | 120.0° |
| HC91 | C9 | C10 | H101 | 54.6° | 60.1° |
| HC91 | C9 | C10 | H102 | 179.9° | 60.0° |
| HC91 | C9 | C10 | H103 | 70.6° | 179.9° |
| HC92 | C9 | C10 | H101 | 54.8° | 59.9° |
| HC92 | C9 | C10 | H102 | 70.5° | 179.9° |
| HC92 | C9 | C10 | H103 | 180.0° | 60.1° |
| H101 | C10 | H102 | H103 | 93.2° | 119.9° |
