83I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C10 | sing | 1.80Å | 1.81Å | |
| O03 | C08 | doub | 1.21Å | 1.21Å | |
| C10 | C08 | sing | 1.51Å | 1.50Å | |
| C08 | C05 | sing | 1.51Å | 1.51Å | |
| O04 | C07 | doub | 1.21Å | 1.22Å | |
| C05 | C07 | sing | 1.51Å | 1.50Å | |
| C07 | O02 | sing | 1.34Å | 1.35Å | |
| O02 | C06 | sing | 1.45Å | 1.42Å | |
| C06 | C09 | sing | 1.53Å | 1.52Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C10 | C08 | 109.9° | 109.5° |
| CL1 | C10 | H1 | 109.4° | 109.5° |
| CL1 | C10 | H2 | 109.4° | 109.5° |
| O03 | C08 | C10 | 124.8° | 120.0° |
| O03 | C08 | C05 | 122.4° | 120.0° |
| C10 | C08 | C05 | 112.9° | 120.0° |
| C08 | C10 | H1 | 109.3° | 109.5° |
| C08 | C10 | H2 | 109.4° | 109.5° |
| C08 | C05 | C07 | 108.4° | 109.5° |
| C08 | C05 | H3 | 109.7° | 109.5° |
| C08 | C05 | H4 | 109.7° | 109.5° |
| O04 | C07 | C05 | 126.4° | 120.0° |
| O04 | C07 | O02 | 121.8° | 120.0° |
| C05 | C07 | O02 | 111.7° | 120.0° |
| C07 | C05 | H3 | 109.7° | 109.5° |
| C07 | C05 | H4 | 109.7° | 109.5° |
| C07 | O02 | C06 | 116.4° | 117.0° |
| O02 | C06 | C09 | 104.3° | 109.5° |
| O02 | C06 | H5 | 110.7° | 109.5° |
| O02 | C06 | H6 | 110.8° | 109.5° |
| C09 | C06 | H5 | 110.7° | 109.5° |
| C09 | C06 | H6 | 110.7° | 109.5° |
| C06 | C09 | H7 | 109.5° | 109.5° |
| C06 | C09 | H8 | 109.5° | 109.5° |
| C06 | C09 | H9 | 109.5° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C05 | H4 | 109.5° | 109.5° |
| H5 | C06 | H6 | 109.4° | 109.5° |
| H7 | C09 | H8 | 109.4° | 109.5° |
| H7 | C09 | H9 | 109.5° | 109.4° |
| H8 | C09 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C10 | C08 | O03 | 11.0° | 0.0° |
| CL1 | C10 | C08 | H1 | 120.1° | 120.0° |
| CL1 | C10 | C08 | H2 | 120.1° | 120.0° |
| CL1 | C10 | C08 | C05 | 169.0° | 180.0° |
| CL1 | C10 | H1 | H2 | 119.8° | 120.0° |
| O03 | C08 | C10 | C05 | 179.9° | 180.0° |
| O03 | C08 | C05 | C07 | 29.6° | 0.0° |
| O03 | C08 | C10 | H1 | 131.1° | 120.0° |
| O03 | C08 | C10 | H2 | 109.1° | 120.0° |
| O03 | C08 | C05 | H3 | 149.4° | 120.0° |
| O03 | C08 | C05 | H4 | 90.2° | 120.0° |
| C10 | C08 | C05 | C07 | 150.5° | 180.0° |
| C08 | C10 | H1 | H2 | 119.8° | 120.0° |
| C10 | C08 | C05 | H3 | 30.6° | 60.0° |
| C10 | C08 | C05 | H4 | 89.7° | 60.0° |
| C08 | C05 | C07 | O04 | 22.7° | 0.0° |
| C08 | C05 | C07 | H3 | 119.8° | 120.0° |
| C08 | C05 | C07 | H4 | 119.8° | 120.0° |
| C08 | C05 | C07 | O02 | 157.3° | 180.0° |
| C05 | C08 | C10 | H1 | 49.0° | 60.0° |
| C05 | C08 | C10 | H2 | 70.9° | 60.0° |
| C08 | C05 | H3 | H4 | 120.5° | 120.0° |
| O04 | C07 | C05 | O02 | 179.9° | 180.0° |
| O04 | C07 | O02 | C06 | 45.8° | 0.0° |
| O04 | C07 | C05 | H3 | 97.1° | 120.0° |
| O04 | C07 | C05 | H4 | 142.5° | 120.0° |
| C05 | C07 | O02 | C06 | 134.1° | 180.0° |
| C07 | C05 | H3 | H4 | 120.5° | 120.0° |
| C07 | O02 | C06 | C09 | 142.0° | 180.0° |
| O02 | C07 | C05 | H3 | 82.9° | 60.0° |
| O02 | C07 | C05 | H4 | 37.5° | 60.0° |
| C07 | O02 | C06 | H5 | 98.8° | 60.0° |
| C07 | O02 | C06 | H6 | 22.8° | 60.0° |
| O02 | C06 | C09 | H5 | 119.2° | 120.0° |
| O02 | C06 | C09 | H6 | 119.2° | 120.0° |
| O02 | C06 | H5 | H6 | 122.4° | 120.0° |
| O02 | C06 | C09 | H7 | 180.0° | 60.1° |
| O02 | C06 | C09 | H8 | 60.0° | 60.0° |
| O02 | C06 | C09 | H9 | 60.0° | 180.0° |
| C09 | C06 | H5 | H6 | 122.4° | 120.0° |
| C06 | C09 | H7 | H8 | 120.0° | 120.1° |
| C06 | C09 | H7 | H9 | 120.0° | 120.0° |
| C06 | C09 | H8 | H9 | 120.0° | 120.0° |
| H5 | C06 | C09 | H7 | 60.8° | 59.9° |
| H5 | C06 | C09 | H8 | 179.2° | 180.0° |
| H5 | C06 | C09 | H9 | 59.2° | 60.0° |
| H6 | C06 | C09 | H7 | 60.8° | 179.9° |
| H6 | C06 | C09 | H8 | 59.2° | 60.0° |
| H6 | C06 | C09 | H9 | 179.2° | 60.0° |
| H7 | C09 | H8 | H9 | 120.0° | 119.9° |
