GJM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | doub | 1.21Å | 1.26Å | |
| O03 | C06 | sing | 1.43Å | 1.40Å | |
| O03 | C02 | sing | 1.43Å | 1.41Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C01 | O01 | sing | 1.34Å | 1.26Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| O01 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C01 | C02 | 120.5° | 120.0° |
| O02 | C01 | O01 | 120.3° | 120.0° |
| C06 | O03 | C02 | 113.7° | 114.1° |
| O03 | C06 | C05 | 110.6° | 109.4° |
| O03 | C06 | H8 | 109.2° | 109.5° |
| O03 | C06 | H9 | 109.2° | 109.5° |
| O03 | C02 | C01 | 108.8° | 109.5° |
| O03 | C02 | C03 | 110.6° | 109.4° |
| O03 | C02 | H1 | 111.2° | 109.4° |
| C06 | C05 | C04 | 109.9° | 109.1° |
| C06 | C05 | H6 | 109.3° | 109.5° |
| C06 | C05 | H7 | 109.4° | 109.6° |
| C05 | C06 | H8 | 109.2° | 109.4° |
| C05 | C06 | H9 | 109.2° | 109.5° |
| C05 | C04 | C03 | 109.5° | 109.1° |
| C05 | C04 | H4 | 109.5° | 109.5° |
| C05 | C04 | H5 | 109.5° | 109.6° |
| C04 | C05 | H6 | 109.4° | 109.5° |
| C04 | C05 | H7 | 109.4° | 109.5° |
| C02 | C01 | O01 | 119.1° | 120.0° |
| C01 | C02 | C03 | 107.3° | 109.5° |
| C01 | C02 | H1 | 109.5° | 109.5° |
| C01 | O01 | H10 | 109.5° | 117.0° |
| C02 | C03 | C04 | 111.3° | 109.2° |
| C03 | C02 | H1 | 109.5° | 109.4° |
| C02 | C03 | H2 | 109.0° | 109.5° |
| C02 | C03 | H3 | 109.0° | 109.5° |
| C04 | C03 | H2 | 109.0° | 109.5° |
| C04 | C03 | H3 | 109.0° | 109.5° |
| C03 | C04 | H4 | 109.5° | 109.6° |
| C03 | C04 | H5 | 109.5° | 109.6° |
| H2 | C03 | H3 | 109.5° | 109.6° |
| H4 | C04 | H5 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 109.6° |
| H8 | C06 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C01 | C02 | O03 | 5.3° | 5.2° |
| O02 | C01 | C02 | O01 | 178.3° | 179.8° |
| O02 | C01 | C02 | C03 | 124.9° | 114.8° |
| O02 | C01 | C02 | H1 | 116.4° | 125.2° |
| O02 | C01 | O01 | H10 | 0.0° | 0.2° |
| O03 | C06 | C05 | H8 | 120.2° | 120.0° |
| O03 | C06 | C05 | H9 | 120.2° | 120.0° |
| O03 | C06 | C05 | C04 | 57.1° | 57.6° |
| C06 | O03 | C02 | C01 | 178.1° | 178.8° |
| C06 | O03 | C02 | C03 | 60.5° | 61.1° |
| C06 | O03 | C02 | H1 | 61.3° | 58.8° |
| O03 | C06 | C05 | H6 | 177.2° | 62.2° |
| O03 | C06 | C05 | H7 | 63.0° | 177.5° |
| O03 | C06 | H8 | H9 | 119.5° | 120.1° |
| C02 | O03 | C06 | C05 | 62.4° | 61.2° |
| O03 | C02 | C01 | C03 | 119.6° | 120.0° |
| O03 | C02 | C01 | H1 | 121.7° | 120.1° |
| O03 | C02 | C01 | O01 | 173.1° | 175.0° |
| O03 | C02 | C03 | H1 | 122.9° | 119.9° |
| O03 | C02 | C03 | C04 | 54.0° | 57.5° |
| O03 | C02 | C03 | H2 | 66.2° | 62.3° |
| O03 | C02 | C03 | H3 | 174.3° | 177.5° |
| C02 | O03 | C06 | H8 | 57.7° | 178.9° |
| C02 | O03 | C06 | H9 | 177.4° | 58.8° |
| C06 | C05 | C04 | H6 | 120.1° | 119.9° |
| C06 | C05 | C04 | H7 | 120.1° | 120.0° |
| C06 | C05 | C04 | C03 | 51.8° | 57.0° |
| C06 | C05 | C04 | H4 | 68.2° | 176.9° |
| C06 | C05 | C04 | H5 | 171.8° | 63.0° |
| C06 | C05 | H6 | H7 | 119.8° | 120.2° |
| C05 | C06 | H8 | H9 | 119.5° | 120.0° |
| C05 | C04 | C03 | C02 | 50.8° | 57.0° |
| C05 | C04 | C03 | H4 | 120.0° | 119.9° |
| C05 | C04 | C03 | H5 | 120.0° | 120.0° |
| C05 | C04 | C03 | H2 | 69.4° | 62.9° |
| C05 | C04 | C03 | H3 | 171.1° | 176.9° |
| C05 | C04 | H4 | H5 | 120.0° | 120.2° |
| C04 | C05 | H6 | H7 | 119.8° | 120.1° |
| C04 | C05 | C06 | H8 | 63.1° | 177.6° |
| C04 | C05 | C06 | H9 | 177.3° | 62.4° |
| C01 | C02 | C03 | H1 | 118.7° | 120.0° |
| C01 | C02 | C03 | C04 | 172.5° | 177.6° |
| C01 | C02 | C03 | H2 | 52.2° | 57.7° |
| C01 | C02 | C03 | H3 | 67.3° | 62.5° |
| C02 | C01 | O01 | H10 | 178.3° | 180.0° |
| O01 | C01 | C02 | C03 | 53.4° | 65.0° |
| O01 | C01 | C02 | H1 | 65.2° | 55.0° |
| C02 | C03 | C04 | H2 | 120.3° | 119.9° |
| C02 | C03 | C04 | H3 | 120.2° | 119.9° |
| C02 | C03 | H2 | H3 | 119.2° | 120.2° |
| C02 | C03 | C04 | H4 | 69.2° | 176.8° |
| C02 | C03 | C04 | H5 | 170.8° | 63.0° |
| C04 | C03 | C02 | H1 | 68.8° | 62.4° |
| C04 | C03 | H2 | H3 | 119.2° | 120.1° |
| C03 | C04 | H4 | H5 | 120.0° | 120.2° |
| C03 | C04 | C05 | H6 | 171.9° | 62.9° |
| C03 | C04 | C05 | H7 | 68.2° | 176.9° |
| H1 | C02 | C03 | H2 | 170.9° | 177.8° |
| H1 | C02 | C03 | H3 | 51.4° | 57.6° |
| H2 | C03 | C04 | H4 | 170.6° | 57.0° |
| H2 | C03 | C04 | H5 | 50.6° | 177.1° |
| H3 | C03 | C04 | H4 | 51.1° | 63.2° |
| H3 | C03 | C04 | H5 | 68.9° | 56.9° |
| H4 | C04 | C05 | H6 | 51.9° | 57.0° |
| H4 | C04 | C05 | H7 | 171.7° | 63.2° |
| H5 | C04 | C05 | H6 | 68.1° | 177.2° |
| H5 | C04 | C05 | H7 | 51.7° | 57.0° |
| H6 | C05 | C06 | H8 | 57.0° | 57.7° |
| H6 | C05 | C06 | H9 | 62.7° | 177.7° |
| H7 | C05 | C06 | H8 | 176.9° | 62.5° |
| H7 | C05 | C06 | H9 | 57.2° | 57.5° |
