I8L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAH | sing | 1.43Å | 1.48Å | |
| OAA | CAF | sing | 1.44Å | 1.43Å | |
| CAH | CAI | sing | 1.51Å | 1.36Å | |
| OAC | CAF | sing | 1.43Å | 1.40Å | |
| CAF | CAE | sing | 1.51Å | 1.35Å | |
| CAI | CAG | doub | 1.34Å | 1.35Å | |
| CAE | CAG | sing | 1.48Å | 1.38Å | |
| CAE | CAJ | doub | 1.34Å | 1.34Å | |
| CAG | OAB | sing | 1.34Å | 1.33Å | |
| CAJ | CAK | sing | 1.42Å | 1.34Å | |
| OAB | CAK | sing | 1.35Å | 1.49Å | |
| CAK | OAD | doub | 1.22Å | 1.23Å | |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.09Å | 1.10Å | |
| OAC | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | OAA | CAF | 118.6° | 115.5° |
| OAA | CAH | CAI | 106.3° | 111.4° |
| OAA | CAH | H3 | 110.3° | 109.1° |
| OAA | CAH | H4 | 110.3° | 109.0° |
| OAA | CAF | OAC | 111.7° | 110.0° |
| OAA | CAF | CAE | 110.3° | 106.5° |
| OAA | CAF | H5 | 110.2° | 110.0° |
| CAH | CAI | CAG | 120.6° | 117.3° |
| CAH | CAI | H2 | 119.7° | 121.3° |
| CAI | CAH | H3 | 110.2° | 109.1° |
| CAI | CAH | H4 | 110.3° | 109.1° |
| OAC | CAF | CAE | 102.5° | 110.0° |
| OAC | CAF | H5 | 110.6° | 110.1° |
| CAF | OAC | H6 | 109.5° | 114.0° |
| CAF | CAE | CAG | 120.0° | 121.2° |
| CAF | CAE | CAJ | 126.7° | 132.0° |
| CAE | CAF | H5 | 111.5° | 110.1° |
| CAI | CAG | CAE | 123.3° | 120.4° |
| CAI | CAG | OAB | 128.7° | 132.4° |
| CAG | CAI | H2 | 119.7° | 121.4° |
| CAG | CAE | CAJ | 113.3° | 106.8° |
| CAE | CAG | OAB | 108.1° | 107.2° |
| CAE | CAJ | CAK | 104.5° | 107.5° |
| CAE | CAJ | H1 | 127.7° | 126.2° |
| CAG | OAB | CAK | 104.1° | 109.0° |
| CAJ | CAK | OAB | 110.0° | 109.5° |
| CAJ | CAK | OAD | 124.8° | 125.2° |
| CAK | CAJ | H1 | 127.7° | 126.3° |
| OAB | CAK | OAD | 125.1° | 125.2° |
| H3 | CAH | H4 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAH | CAI | H3 | 119.5° | 120.5° |
| OAA | CAH | CAI | H4 | 119.5° | 120.3° |
| CAH | OAA | CAF | OAC | 160.4° | 174.4° |
| CAH | OAA | CAF | CAE | 47.2° | 55.2° |
| OAA | CAH | CAI | CAG | 31.6° | 30.6° |
| OAA | CAH | CAI | H2 | 148.4° | 149.4° |
| OAA | CAH | H3 | H4 | 121.5° | 119.0° |
| CAH | OAA | CAF | H5 | 76.3° | 64.2° |
| CAF | OAA | CAH | CAI | 53.1° | 61.3° |
| OAA | CAF | OAC | CAE | 118.0° | 117.1° |
| OAA | CAF | OAC | H5 | 123.1° | 121.4° |
| OAA | CAF | CAE | H5 | 122.7° | 119.3° |
| OAA | CAF | CAE | CAG | 18.8° | 22.9° |
| OAA | CAF | CAE | CAJ | 160.8° | 156.4° |
| CAF | OAA | CAH | H3 | 66.3° | 178.2° |
| CAF | OAA | CAH | H4 | 172.7° | 59.1° |
| OAA | CAF | OAC | H6 | 180.0° | 60.0° |
| CAH | CAI | CAG | H2 | 180.0° | 179.9° |
| CAH | CAI | CAG | CAE | 8.6° | 1.1° |
| CAH | CAI | CAG | OAB | 172.6° | 177.9° |
| CAI | CAH | H3 | H4 | 121.5° | 119.1° |
| OAC | CAF | CAE | H5 | 118.3° | 121.5° |
| OAC | CAF | CAE | CAG | 137.8° | 142.2° |
| OAC | CAF | CAE | CAJ | 41.8° | 37.2° |
| CAF | CAE | CAG | CAI | 0.4° | 2.3° |
| CAF | CAE | CAG | CAJ | 179.6° | 179.5° |
| CAF | CAE | CAG | OAB | 179.4° | 178.4° |
| CAF | CAE | CAJ | CAK | 179.4° | 178.8° |
| CAF | CAE | CAJ | H1 | 0.6° | 1.1° |
| CAE | CAF | OAC | H6 | 62.0° | 177.0° |
| CAI | CAG | CAE | OAB | 179.0° | 179.3° |
| CAI | CAG | CAE | CAJ | 179.2° | 178.2° |
| CAI | CAG | OAB | CAK | 179.0° | 178.0° |
| CAG | CAI | CAH | H3 | 87.9° | 151.1° |
| CAG | CAI | CAH | H4 | 151.1° | 89.8° |
| CAG | CAE | CAJ | CAK | 0.2° | 0.6° |
| CAE | CAG | OAB | CAK | 0.1° | 1.1° |
| CAG | CAE | CAJ | H1 | 179.8° | 179.5° |
| CAE | CAG | CAI | H2 | 171.4° | 178.8° |
| CAG | CAE | CAF | H5 | 103.9° | 96.3° |
| CAJ | CAE | CAG | OAB | 0.2° | 1.1° |
| CAE | CAJ | CAK | H1 | 180.0° | 179.9° |
| CAE | CAJ | CAK | OAB | 0.1° | 0.1° |
| CAE | CAJ | CAK | OAD | 179.7° | 180.0° |
| CAJ | CAE | CAF | H5 | 76.5° | 84.3° |
| CAG | OAB | CAK | CAJ | 0.0° | 0.8° |
| CAG | OAB | CAK | OAD | 179.6° | 179.3° |
| OAB | CAG | CAI | H2 | 7.4° | 2.1° |
| CAJ | CAK | OAB | OAD | 179.6° | 180.0° |
| OAB | CAK | CAJ | H1 | 179.9° | 179.9° |
| OAD | CAK | CAJ | H1 | 0.3° | 0.1° |
| H2 | CAI | CAH | H3 | 92.1° | 28.9° |
| H2 | CAI | CAH | H4 | 28.9° | 90.3° |
| H5 | CAF | OAC | H6 | 56.9° | 61.4° |
