MUX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | S13 | doub | 1.42Å | 1.51Å | |
| S13 | O16 | doub | 1.42Å | 1.43Å | |
| S13 | O14 | sing | 1.52Å | 1.50Å | |
| S13 | O12 | sing | 1.52Å | 1.50Å | |
| O12 | C11 | sing | 1.36Å | 1.40Å | |
| C11 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.36Å | 1.40Å | Aromatic |
| C17 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| C09 | C08 | doub | 1.40Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.41Å | 1.42Å | Aromatic |
| C07 | O06 | sing | 1.35Å | 1.50Å | |
| C08 | C02 | sing | 1.46Å | 1.50Å | |
| O06 | C04 | sing | 1.34Å | 1.44Å | |
| C04 | O05 | doub | 1.22Å | 1.22Å | |
| C04 | C03 | sing | 1.41Å | 1.49Å | |
| C02 | C03 | doub | 1.36Å | 1.46Å | |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | S13 | O16 | 108.9° | 123.2° |
| O15 | S13 | O14 | 110.5° | 106.4° |
| O15 | S13 | O12 | 111.1° | 106.4° |
| O16 | S13 | O14 | 107.5° | 106.4° |
| O16 | S13 | O12 | 112.1° | 106.4° |
| O14 | S13 | O12 | 106.7° | 107.2° |
| S13 | O14 | H14 | 109.5° | 114.0° |
| S13 | O12 | C11 | 119.3° | 114.0° |
| O12 | C11 | C10 | 122.1° | 119.7° |
| O12 | C11 | C17 | 117.3° | 119.7° |
| C10 | C11 | C17 | 120.6° | 120.5° |
| C11 | C10 | C09 | 119.9° | 120.5° |
| C11 | C10 | H10 | 120.0° | 119.7° |
| C11 | C17 | C07 | 119.9° | 119.8° |
| C11 | C17 | H17 | 120.1° | 120.1° |
| C10 | C09 | C08 | 119.6° | 119.8° |
| C09 | C10 | H10 | 120.1° | 119.8° |
| C10 | C09 | H09 | 120.2° | 120.1° |
| C17 | C07 | C08 | 119.7° | 119.4° |
| C17 | C07 | O06 | 119.5° | 120.7° |
| C07 | C17 | H17 | 120.0° | 120.1° |
| C09 | C08 | C07 | 120.3° | 120.1° |
| C09 | C08 | C02 | 121.1° | 121.0° |
| C08 | C09 | H09 | 120.2° | 120.1° |
| C08 | C07 | O06 | 120.8° | 119.9° |
| C07 | C08 | C02 | 118.6° | 119.0° |
| C07 | O06 | C04 | 119.7° | 121.5° |
| C08 | C02 | C03 | 120.4° | 118.2° |
| C08 | C02 | C01 | 118.8° | 120.9° |
| O06 | C04 | O05 | 120.0° | 119.2° |
| O06 | C04 | C03 | 118.4° | 121.7° |
| O05 | C04 | C03 | 121.6° | 119.2° |
| C04 | C03 | C02 | 119.5° | 119.8° |
| C04 | C03 | H03 | 120.2° | 120.0° |
| C03 | C02 | C01 | 120.8° | 120.9° |
| C02 | C03 | H03 | 120.3° | 120.2° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.4° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | S13 | O16 | O14 | 119.8° | 122.9° |
| O15 | S13 | O16 | O12 | 123.3° | 123.0° |
| O15 | S13 | O14 | O12 | 120.8° | 113.5° |
| O15 | S13 | O12 | C11 | 176.1° | 171.5° |
| O15 | S13 | O14 | H14 | 118.8° | 66.5° |
| O16 | S13 | O14 | O12 | 120.4° | 113.6° |
| O16 | S13 | O12 | C11 | 54.0° | 38.5° |
| O16 | S13 | O14 | H14 | 0.0° | 66.4° |
| O14 | S13 | O12 | C11 | 63.5° | 75.0° |
| S13 | O12 | C11 | C10 | 12.6° | 90.0° |
| S13 | O12 | C11 | C17 | 166.9° | 90.0° |
| O12 | S13 | O14 | H14 | 120.4° | 180.0° |
| O12 | C11 | C10 | C17 | 179.5° | 180.0° |
| O12 | C11 | C10 | C09 | 179.6° | 180.0° |
| O12 | C11 | C17 | C07 | 179.5° | 180.0° |
| O12 | C11 | C17 | H17 | 0.6° | 0.2° |
| O12 | C11 | C10 | H10 | 0.4° | 0.1° |
| C11 | C10 | C09 | H10 | 180.0° | 179.9° |
| C10 | C11 | C17 | C07 | 0.1° | 0.0° |
| C11 | C10 | C09 | C08 | 0.0° | 0.2° |
| C10 | C11 | C17 | H17 | 179.9° | 179.8° |
| C11 | C10 | C09 | H09 | 179.9° | 180.0° |
| C17 | C11 | C10 | C09 | 0.1° | 0.0° |
| C11 | C17 | C07 | H17 | 180.0° | 179.8° |
| C11 | C17 | C07 | C08 | 0.2° | 0.2° |
| C11 | C17 | C07 | O06 | 180.0° | 179.8° |
| C17 | C11 | C10 | H10 | 179.9° | 179.9° |
| C10 | C09 | C08 | H09 | 180.0° | 179.8° |
| C10 | C09 | C08 | C07 | 0.1° | 0.5° |
| C10 | C09 | C08 | C02 | 180.0° | 180.0° |
| C17 | C07 | C08 | C09 | 0.3° | 0.5° |
| C17 | C07 | C08 | O06 | 179.8° | 180.0° |
| C17 | C07 | C08 | C02 | 179.9° | 180.0° |
| C17 | C07 | O06 | C04 | 166.8° | 180.0° |
| C09 | C08 | C07 | C02 | 179.9° | 179.5° |
| C09 | C08 | C07 | O06 | 179.9° | 179.5° |
| C09 | C08 | C02 | C03 | 173.1° | 179.5° |
| C09 | C08 | C02 | C01 | 6.4° | 0.4° |
| C08 | C09 | C10 | H10 | 180.0° | 179.7° |
| C08 | C07 | O06 | C04 | 13.5° | 0.0° |
| C07 | C08 | C02 | C03 | 6.8° | 0.0° |
| C07 | C08 | C02 | C01 | 173.8° | 180.0° |
| C08 | C07 | C17 | H17 | 179.7° | 180.0° |
| C07 | C08 | C09 | H09 | 179.9° | 179.7° |
| O06 | C07 | C08 | C02 | 0.1° | 0.0° |
| C07 | O06 | C04 | O05 | 160.1° | 180.0° |
| C07 | O06 | C04 | C03 | 19.5° | 0.0° |
| O06 | C07 | C17 | H17 | 0.0° | 0.0° |
| C08 | C02 | C03 | C04 | 0.6° | 0.0° |
| C08 | C02 | C03 | C01 | 179.5° | 179.9° |
| C08 | C02 | C01 | H012 | 180.0° | 180.0° |
| C08 | C02 | C01 | H013 | 60.0° | 60.1° |
| C08 | C02 | C01 | H011 | 60.0° | 60.0° |
| C08 | C02 | C03 | H03 | 179.4° | 180.0° |
| C02 | C08 | C09 | H09 | 0.0° | 0.2° |
| O06 | C04 | O05 | C03 | 179.6° | 180.0° |
| O06 | C04 | C03 | C02 | 12.6° | 0.0° |
| O06 | C04 | C03 | H03 | 167.4° | 180.0° |
| O05 | C04 | C03 | C02 | 167.0° | 180.0° |
| O05 | C04 | C03 | H03 | 13.0° | 0.0° |
| C04 | C03 | C02 | H03 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 180.0° | 180.0° |
| C03 | C02 | C01 | H012 | 0.5° | 0.0° |
| C03 | C02 | C01 | H013 | 119.5° | 120.0° |
| C03 | C02 | C01 | H011 | 120.5° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.1° |
| C01 | C02 | C03 | H03 | 0.0° | 0.1° |
| H10 | C10 | C09 | H09 | 0.1° | 0.1° |
| H012 | C01 | H013 | H011 | 120.0° | 119.9° |
