X9X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAH | sing | 1.43Å | 1.40Å | |
| CAH | CAJ | sing | 1.53Å | 1.50Å | |
| CAJ | OAD | sing | 1.43Å | 1.37Å | |
| CAJ | CAL | sing | 1.53Å | 1.53Å | |
| OAA | CAG | sing | 1.43Å | 1.39Å | |
| OAC | CAI | sing | 1.43Å | 1.38Å | |
| CAK | CAL | sing | 1.53Å | 1.49Å | |
| CAK | CAI | sing | 1.53Å | 1.51Å | |
| CAK | OAE | sing | 1.43Å | 1.41Å | |
| CAL | OAF | sing | 1.43Å | 1.39Å | |
| CAG | CAI | sing | 1.53Å | 1.49Å | |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| CAG | H2 | sing | 1.09Å | 1.10Å | |
| CAG | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| OAC | H5 | sing | 0.97Å | 0.95Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| OAE | H7 | sing | 0.97Å | 0.95Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| OAF | H9 | sing | 0.97Å | 0.95Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| OAD | H11 | sing | 0.97Å | 0.95Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.09Å | 1.10Å | |
| OAB | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAH | CAJ | 114.1° | 109.5° |
| OAB | CAH | H12 | 108.3° | 109.5° |
| OAB | CAH | H13 | 108.3° | 109.4° |
| CAH | OAB | H14 | 109.5° | 114.1° |
| CAH | CAJ | OAD | 103.4° | 109.5° |
| CAH | CAJ | CAL | 118.7° | 109.5° |
| CAH | CAJ | H10 | 106.9° | 109.5° |
| CAJ | CAH | H12 | 108.3° | 109.5° |
| CAJ | CAH | H13 | 108.3° | 109.5° |
| OAD | CAJ | CAL | 112.2° | 109.5° |
| OAD | CAJ | H10 | 108.5° | 109.5° |
| CAJ | OAD | H11 | 109.5° | 114.0° |
| CAJ | CAL | CAK | 117.9° | 109.5° |
| CAJ | CAL | OAF | 112.2° | 109.5° |
| CAJ | CAL | H8 | 106.1° | 109.5° |
| CAL | CAJ | H10 | 106.6° | 109.4° |
| OAA | CAG | CAI | 116.1° | 109.5° |
| CAG | OAA | H1 | 109.5° | 114.1° |
| OAA | CAG | H2 | 107.8° | 109.5° |
| OAA | CAG | H3 | 107.8° | 109.4° |
| OAC | CAI | CAK | 112.3° | 109.5° |
| OAC | CAI | CAG | 105.0° | 109.5° |
| OAC | CAI | H4 | 111.0° | 109.5° |
| CAI | OAC | H5 | 109.5° | 114.0° |
| CAL | CAK | CAI | 111.5° | 109.5° |
| CAL | CAK | OAE | 106.2° | 109.5° |
| CAK | CAL | OAF | 105.9° | 109.5° |
| CAL | CAK | H6 | 109.5° | 109.4° |
| CAK | CAL | H8 | 106.5° | 109.4° |
| CAI | CAK | OAE | 109.9° | 109.5° |
| CAK | CAI | CAG | 109.9° | 109.5° |
| CAK | CAI | H4 | 109.1° | 109.4° |
| CAI | CAK | H6 | 109.1° | 109.5° |
| OAE | CAK | H6 | 110.6° | 109.5° |
| CAK | OAE | H7 | 109.5° | 114.0° |
| OAF | CAL | H8 | 107.7° | 109.5° |
| CAL | OAF | H9 | 109.5° | 114.0° |
| CAI | CAG | H2 | 107.8° | 109.5° |
| CAI | CAG | H3 | 107.8° | 109.5° |
| CAG | CAI | H4 | 109.4° | 109.5° |
| H2 | CAG | H3 | 109.5° | 109.4° |
| H12 | CAH | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAH | CAJ | H12 | 120.7° | 120.1° |
| OAB | CAH | CAJ | H13 | 120.7° | 120.0° |
| OAB | CAH | CAJ | OAD | 73.8° | 65.0° |
| OAB | CAH | CAJ | CAL | 161.1° | 174.9° |
| OAB | CAH | CAJ | H10 | 40.7° | 55.0° |
| OAB | CAH | H12 | H13 | 117.9° | 119.9° |
| CAH | CAJ | OAD | CAL | 129.2° | 120.0° |
| CAH | CAJ | OAD | H10 | 113.3° | 120.0° |
| CAH | CAJ | CAL | H10 | 120.6° | 120.0° |
| CAH | CAJ | CAL | CAK | 38.2° | 179.9° |
| CAH | CAJ | CAL | OAF | 161.6° | 60.0° |
| CAH | CAJ | CAL | H8 | 81.0° | 60.0° |
| CAH | CAJ | OAD | H11 | 180.0° | 60.0° |
| CAJ | CAH | H12 | H13 | 117.9° | 120.0° |
| CAJ | CAH | OAB | H14 | 180.0° | 180.0° |
| OAD | CAJ | CAL | H10 | 118.6° | 120.0° |
| OAD | CAJ | CAL | CAK | 82.5° | 59.9° |
| OAD | CAJ | CAL | OAF | 40.9° | 180.0° |
| OAD | CAJ | CAL | H8 | 158.3° | 60.0° |
| OAD | CAJ | CAH | H12 | 165.6° | 55.0° |
| OAD | CAJ | CAH | H13 | 46.9° | 175.0° |
| CAJ | CAL | CAK | OAF | 126.5° | 120.1° |
| CAJ | CAL | CAK | H8 | 119.0° | 120.0° |
| CAJ | CAL | CAK | CAI | 78.3° | 180.0° |
| CAJ | CAL | CAK | OAE | 162.0° | 59.9° |
| CAJ | CAL | OAF | H8 | 116.4° | 120.1° |
| CAJ | CAL | CAK | H6 | 42.6° | 60.0° |
| CAJ | CAL | OAF | H9 | 180.0° | 60.0° |
| CAL | CAJ | OAD | H11 | 50.8° | 60.0° |
| CAL | CAJ | CAH | H12 | 40.5° | 65.0° |
| CAL | CAJ | CAH | H13 | 78.2° | 55.0° |
| OAA | CAG | CAI | OAC | 54.6° | 65.0° |
| OAA | CAG | CAI | CAK | 66.4° | 174.9° |
| OAA | CAG | CAI | H2 | 121.0° | 120.1° |
| OAA | CAG | CAI | H3 | 121.0° | 120.0° |
| OAA | CAG | H2 | H3 | 117.0° | 119.9° |
| OAA | CAG | CAI | H4 | 173.8° | 55.0° |
| OAC | CAI | CAK | CAL | 67.1° | 59.9° |
| OAC | CAI | CAK | CAG | 116.5° | 120.0° |
| OAC | CAI | CAK | H4 | 123.5° | 120.0° |
| OAC | CAI | CAK | OAE | 175.5° | 180.0° |
| OAC | CAI | CAG | H4 | 119.2° | 120.0° |
| OAC | CAI | CAG | H2 | 175.6° | 55.0° |
| OAC | CAI | CAG | H3 | 66.4° | 175.0° |
| OAC | CAI | CAK | H6 | 54.0° | 60.0° |
| CAL | CAK | CAI | OAE | 117.4° | 120.1° |
| CAL | CAK | CAI | H6 | 121.1° | 119.9° |
| CAL | CAK | OAE | H6 | 118.7° | 119.9° |
| CAK | CAL | OAF | H8 | 113.7° | 119.9° |
| CAL | CAK | CAI | CAG | 176.4° | 179.9° |
| CAL | CAK | CAI | H4 | 56.4° | 60.1° |
| CAL | CAK | OAE | H7 | 180.0° | 60.0° |
| CAK | CAL | OAF | H9 | 50.0° | 60.0° |
| CAK | CAL | CAJ | H10 | 158.9° | 60.1° |
| CAI | CAK | OAE | H6 | 120.6° | 120.1° |
| CAI | CAK | CAL | OAF | 48.2° | 59.9° |
| CAK | CAI | CAG | H4 | 119.8° | 120.0° |
| CAK | CAI | CAG | H2 | 54.5° | 65.0° |
| CAK | CAI | CAG | H3 | 172.6° | 55.0° |
| CAK | CAI | OAC | H5 | 180.0° | 60.0° |
| CAI | CAK | OAE | H7 | 59.3° | 60.0° |
| CAI | CAK | CAL | H8 | 162.7° | 60.0° |
| OAE | CAK | CAL | OAF | 71.5° | 180.0° |
| OAE | CAK | CAI | CAG | 58.9° | 60.0° |
| OAE | CAK | CAI | H4 | 61.0° | 60.0° |
| OAE | CAK | CAL | H8 | 43.0° | 60.0° |
| OAF | CAL | CAK | H6 | 169.1° | 60.0° |
| OAF | CAL | CAJ | H10 | 77.7° | 60.0° |
| CAI | CAG | OAA | H1 | 180.0° | 180.0° |
| CAI | CAG | H2 | H3 | 117.0° | 120.0° |
| CAG | CAI | OAC | H5 | 60.6° | 60.0° |
| CAG | CAI | CAK | H6 | 62.5° | 60.0° |
| H1 | OAA | CAG | H2 | 59.0° | 59.9° |
| H1 | OAA | CAG | H3 | 59.0° | 60.0° |
| H2 | CAG | CAI | H4 | 65.3° | 175.0° |
| H3 | CAG | CAI | H4 | 52.8° | 65.0° |
| H4 | CAI | OAC | H5 | 57.6° | 180.0° |
| H4 | CAI | CAK | H6 | 177.5° | 180.0° |
| H6 | CAK | OAE | H7 | 61.2° | 179.9° |
| H6 | CAK | CAL | H8 | 76.4° | 180.0° |
| H8 | CAL | OAF | H9 | 63.6° | 179.9° |
| H8 | CAL | CAJ | H10 | 39.6° | 180.0° |
| H10 | CAJ | OAD | H11 | 66.7° | 180.0° |
| H10 | CAJ | CAH | H12 | 80.0° | 175.0° |
| H10 | CAJ | CAH | H13 | 161.3° | 65.0° |
| H12 | CAH | OAB | H14 | 59.4° | 59.9° |
| H13 | CAH | OAB | H14 | 59.3° | 60.0° |
