R67
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | S02 | sing | 1.81Å | 1.80Å | |
| S02 | O03 | doub | 1.42Å | 1.45Å | |
| S02 | C04 | sing | 1.81Å | 1.76Å | |
| S02 | O10 | doub | 1.42Å | 1.46Å | |
| C04 | C05 | sing | 1.51Å | 1.50Å | |
| O08 | C06 | doub | 1.21Å | 1.28Å | |
| C06 | C05 | sing | 1.49Å | 1.50Å | |
| C06 | O07 | sing | 1.35Å | 1.24Å | |
| C05 | O09 | doub | 1.21Å | 1.21Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| O07 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | S02 | O03 | 109.9° | 108.6° |
| C01 | S02 | C04 | 110.0° | 101.9° |
| C01 | S02 | O10 | 110.6° | 108.6° |
| S02 | C01 | H1 | 109.5° | 109.5° |
| S02 | C01 | H2 | 109.5° | 109.5° |
| S02 | C01 | H3 | 109.5° | 109.5° |
| O03 | S02 | C04 | 105.8° | 108.6° |
| O03 | S02 | O10 | 109.6° | 119.2° |
| C04 | S02 | O10 | 110.7° | 108.6° |
| S02 | C04 | C05 | 116.6° | 109.5° |
| S02 | C04 | H4 | 107.7° | 109.4° |
| S02 | C04 | H5 | 107.7° | 109.4° |
| C04 | C05 | C06 | 107.6° | 120.0° |
| C04 | C05 | O09 | 129.0° | 120.0° |
| C05 | C04 | H4 | 107.6° | 109.5° |
| C05 | C04 | H5 | 107.6° | 109.5° |
| O08 | C06 | C05 | 117.2° | 120.0° |
| O08 | C06 | O07 | 126.6° | 120.0° |
| C05 | C06 | O07 | 116.2° | 120.0° |
| C06 | C05 | O09 | 123.3° | 120.0° |
| C06 | O07 | H6 | 109.5° | 117.0° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C04 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | S02 | O03 | C04 | 118.8° | 110.0° |
| C01 | S02 | O03 | O10 | 121.8° | 125.0° |
| C01 | S02 | C04 | O10 | 122.6° | 114.5° |
| C01 | S02 | C04 | C05 | 87.6° | 180.0° |
| S02 | C01 | H1 | H2 | 120.0° | 120.0° |
| S02 | C01 | H1 | H3 | 120.0° | 120.0° |
| S02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | S02 | C04 | H4 | 33.4° | 60.0° |
| C01 | S02 | C04 | H5 | 151.4° | 60.0° |
| O03 | S02 | C04 | O10 | 118.7° | 131.0° |
| O03 | S02 | C04 | C05 | 153.7° | 65.5° |
| O03 | S02 | C01 | H1 | 180.0° | 54.5° |
| O03 | S02 | C01 | H2 | 60.0° | 174.5° |
| O03 | S02 | C01 | H3 | 60.0° | 65.5° |
| O03 | S02 | C04 | H4 | 85.3° | 54.5° |
| O03 | S02 | C04 | H5 | 32.7° | 174.4° |
| S02 | C04 | C05 | H4 | 121.1° | 120.0° |
| S02 | C04 | C05 | H5 | 121.0° | 120.0° |
| S02 | C04 | C05 | C06 | 167.3° | 180.0° |
| S02 | C04 | C05 | O09 | 14.1° | 0.0° |
| C04 | S02 | C01 | H1 | 63.8° | 60.0° |
| C04 | S02 | C01 | H2 | 176.2° | 60.0° |
| C04 | S02 | C01 | H3 | 56.2° | 180.0° |
| S02 | C04 | H4 | H5 | 116.8° | 119.9° |
| O10 | S02 | C04 | C05 | 35.0° | 65.5° |
| O10 | S02 | C01 | H1 | 58.8° | 174.5° |
| O10 | S02 | C01 | H2 | 61.2° | 54.5° |
| O10 | S02 | C01 | H3 | 178.8° | 65.5° |
| O10 | S02 | C04 | H4 | 156.0° | 174.5° |
| O10 | S02 | C04 | H5 | 86.0° | 54.5° |
| C04 | C05 | C06 | O08 | 9.8° | 0.0° |
| C04 | C05 | C06 | O09 | 178.7° | 180.0° |
| C04 | C05 | C06 | O07 | 169.2° | 180.0° |
| C05 | C04 | H4 | H5 | 116.7° | 120.1° |
| O08 | C06 | C05 | O07 | 179.0° | 180.0° |
| O08 | C06 | C05 | O09 | 168.9° | 180.0° |
| O08 | C06 | O07 | H6 | 0.0° | 0.0° |
| C06 | C05 | C04 | H4 | 46.3° | 60.0° |
| C06 | C05 | C04 | H5 | 71.6° | 60.0° |
| C05 | C06 | O07 | H6 | 178.9° | 180.0° |
| O07 | C06 | C05 | O09 | 12.1° | 0.0° |
| O09 | C05 | C04 | H4 | 135.1° | 120.0° |
| O09 | C05 | C04 | H5 | 106.9° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
