G8I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C04 | doub | 1.21Å | 1.26Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C04 | O05 | sing | 1.34Å | 1.26Å | |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| C01 | C03 | sing | 1.53Å | 1.53Å | |
| C01 | C09 | sing | 1.53Å | 1.53Å | |
| C01 | C08 | sing | 1.53Å | 1.53Å | |
| C03 | O07 | sing | 1.43Å | 1.40Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| O05 | H11 | sing | 0.97Å | 0.95Å | |
| O07 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C04 | O05 | 119.3° | 120.0° |
| O06 | C04 | C03 | 120.2° | 120.0° |
| C02 | C01 | C03 | 110.7° | 109.4° |
| C02 | C01 | C09 | 110.0° | 109.4° |
| C02 | C01 | C08 | 108.0° | 109.5° |
| C01 | C02 | H1 | 109.5° | 109.5° |
| C01 | C02 | H2 | 109.5° | 109.4° |
| C01 | C02 | H3 | 109.4° | 109.5° |
| O05 | C04 | C03 | 120.5° | 120.0° |
| C04 | O05 | H11 | 109.5° | 117.0° |
| C04 | C03 | C01 | 112.8° | 109.4° |
| C04 | C03 | O07 | 108.5° | 109.4° |
| C04 | C03 | H4 | 108.3° | 109.4° |
| C03 | C01 | C09 | 109.8° | 109.5° |
| C03 | C01 | C08 | 108.8° | 109.5° |
| C01 | C03 | O07 | 108.9° | 109.5° |
| C01 | C03 | H4 | 108.3° | 109.5° |
| C09 | C01 | C08 | 109.4° | 109.5° |
| C01 | C09 | H8 | 109.5° | 109.5° |
| C01 | C09 | H9 | 109.5° | 109.4° |
| C01 | C09 | H10 | 109.5° | 109.5° |
| C01 | C08 | H5 | 109.5° | 109.5° |
| C01 | C08 | H6 | 109.5° | 109.5° |
| C01 | C08 | H7 | 109.5° | 109.5° |
| O07 | C03 | H4 | 110.1° | 109.5° |
| C03 | O07 | H12 | 109.5° | 114.0° |
| H1 | C02 | H2 | 109.4° | 109.4° |
| H1 | C02 | H3 | 109.5° | 109.4° |
| H2 | C02 | H3 | 109.5° | 109.5° |
| H5 | C08 | H6 | 109.5° | 109.4° |
| H5 | C08 | H7 | 109.4° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.5° |
| H8 | C09 | H9 | 109.5° | 109.4° |
| H8 | C09 | H10 | 109.4° | 109.5° |
| H9 | C09 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C04 | O05 | C03 | 178.2° | 180.0° |
| O06 | C04 | C03 | C01 | 81.5° | 115.0° |
| O06 | C04 | C03 | O07 | 157.9° | 5.0° |
| O06 | C04 | C03 | H4 | 38.4° | 125.0° |
| O06 | C04 | O05 | H11 | 0.0° | 0.0° |
| C02 | C01 | C03 | C04 | 56.3° | 180.0° |
| C02 | C01 | C03 | C09 | 121.6° | 119.9° |
| C02 | C01 | C03 | C08 | 118.6° | 120.0° |
| C02 | C01 | C09 | C08 | 118.5° | 120.0° |
| C02 | C01 | C03 | O07 | 176.8° | 60.0° |
| C01 | C02 | H1 | H2 | 120.0° | 120.0° |
| C01 | C02 | H1 | H3 | 120.0° | 120.0° |
| C01 | C02 | H2 | H3 | 120.0° | 120.1° |
| C02 | C01 | C03 | H4 | 63.5° | 60.1° |
| C02 | C01 | C08 | H5 | 180.0° | 60.0° |
| C02 | C01 | C08 | H6 | 60.0° | 60.0° |
| C02 | C01 | C08 | H7 | 60.0° | 180.0° |
| C02 | C01 | C09 | H8 | 180.0° | 180.0° |
| C02 | C01 | C09 | H9 | 60.0° | 60.1° |
| C02 | C01 | C09 | H10 | 60.0° | 60.0° |
| O05 | C04 | C03 | C01 | 100.4° | 65.0° |
| O05 | C04 | C03 | O07 | 20.3° | 175.0° |
| O05 | C04 | C03 | H4 | 139.8° | 55.0° |
| C04 | C03 | C01 | O07 | 120.4° | 120.0° |
| C04 | C03 | C01 | H4 | 119.9° | 120.0° |
| C04 | C03 | C01 | C09 | 65.3° | 60.0° |
| C04 | C03 | C01 | C08 | 174.9° | 60.0° |
| C04 | C03 | O07 | H4 | 118.4° | 120.0° |
| C03 | C04 | O05 | H11 | 178.2° | 180.0° |
| C04 | C03 | O07 | H12 | 180.0° | 60.0° |
| C03 | C01 | C09 | C08 | 119.4° | 120.0° |
| C01 | C03 | O07 | H4 | 118.6° | 120.1° |
| C03 | C01 | C02 | H1 | 180.0° | 60.0° |
| C03 | C01 | C02 | H2 | 60.0° | 179.9° |
| C03 | C01 | C02 | H3 | 60.0° | 60.0° |
| C03 | C01 | C08 | H5 | 59.7° | 60.0° |
| C03 | C01 | C08 | H6 | 179.7° | 180.0° |
| C03 | C01 | C08 | H7 | 60.3° | 60.0° |
| C03 | C01 | C09 | H8 | 57.9° | 60.0° |
| C03 | C01 | C09 | H9 | 62.1° | 180.0° |
| C03 | C01 | C09 | H10 | 177.9° | 60.0° |
| C01 | C03 | O07 | H12 | 56.9° | 60.0° |
| C09 | C01 | C03 | O07 | 55.1° | 59.9° |
| C09 | C01 | C02 | H1 | 58.5° | 60.0° |
| C09 | C01 | C02 | H2 | 61.5° | 60.0° |
| C09 | C01 | C02 | H3 | 178.5° | 180.0° |
| C09 | C01 | C03 | H4 | 174.8° | 180.0° |
| C09 | C01 | C08 | H5 | 60.2° | 180.0° |
| C09 | C01 | C08 | H6 | 59.8° | 60.0° |
| C09 | C01 | C08 | H7 | 179.8° | 60.0° |
| C01 | C09 | H8 | H9 | 120.0° | 120.0° |
| C01 | C09 | H8 | H10 | 120.0° | 120.0° |
| C01 | C09 | H9 | H10 | 120.0° | 120.1° |
| C08 | C01 | C03 | O07 | 64.6° | 180.0° |
| C08 | C01 | C02 | H1 | 60.9° | 180.0° |
| C08 | C01 | C02 | H2 | 179.1° | 60.0° |
| C08 | C01 | C02 | H3 | 59.1° | 60.0° |
| C08 | C01 | C03 | H4 | 55.1° | 60.0° |
| C01 | C08 | H5 | H6 | 120.0° | 120.0° |
| C01 | C08 | H5 | H7 | 120.0° | 120.0° |
| C01 | C08 | H6 | H7 | 120.0° | 120.0° |
| C08 | C01 | C09 | H8 | 61.5° | 60.0° |
| C08 | C01 | C09 | H9 | 178.5° | 59.9° |
| C08 | C01 | C09 | H10 | 58.5° | 180.0° |
| H1 | C02 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | O07 | H12 | 61.7° | 180.0° |
| H5 | C08 | H6 | H7 | 119.9° | 120.0° |
| H8 | C09 | H9 | H10 | 120.0° | 120.0° |
