2Q2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAH | sing | 1.43Å | 1.44Å | |
| CAH | CAJ | sing | 1.53Å | 1.56Å | |
| OAD | CAJ | sing | 1.43Å | 1.46Å | |
| CAJ | CAL | sing | 1.53Å | 1.54Å | |
| OAF | CAL | sing | 1.43Å | 1.43Å | |
| CAL | CAM | sing | 1.53Å | 1.54Å | |
| CAM | OAG | sing | 1.43Å | 1.43Å | |
| CAM | CAK | sing | 1.53Å | 1.55Å | |
| CAK | OAE | sing | 1.43Å | 1.43Å | |
| CAK | CAI | sing | 1.51Å | 1.54Å | |
| OAA | CAI | doub | 1.21Å | 1.24Å | |
| CAI | OAC | sing | 1.34Å | 1.25Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| OAE | H3 | sing | 0.97Å | 0.95Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| OAG | H5 | sing | 0.97Å | 0.95Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| OAF | H7 | sing | 0.97Å | 0.95Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| OAD | H9 | sing | 0.97Å | 0.95Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| OAB | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAH | CAJ | 105.9° | 109.4° |
| OAB | CAH | H10 | 110.4° | 109.5° |
| OAB | CAH | H11 | 110.4° | 109.5° |
| CAH | OAB | H12 | 109.5° | 114.0° |
| CAH | CAJ | OAD | 109.4° | 109.5° |
| CAH | CAJ | CAL | 110.0° | 109.4° |
| CAH | CAJ | H8 | 108.4° | 109.5° |
| CAJ | CAH | H10 | 110.4° | 109.5° |
| CAJ | CAH | H11 | 110.3° | 109.5° |
| OAD | CAJ | CAL | 110.6° | 109.5° |
| OAD | CAJ | H8 | 109.7° | 109.5° |
| CAJ | OAD | H9 | 109.5° | 114.0° |
| CAJ | CAL | OAF | 112.9° | 109.5° |
| CAJ | CAL | CAM | 108.6° | 109.4° |
| CAJ | CAL | H6 | 108.1° | 109.5° |
| CAL | CAJ | H8 | 108.7° | 109.4° |
| OAF | CAL | CAM | 109.6° | 109.5° |
| OAF | CAL | H6 | 109.5° | 109.5° |
| CAL | OAF | H7 | 109.5° | 114.0° |
| CAL | CAM | OAG | 109.1° | 109.5° |
| CAL | CAM | CAK | 109.9° | 109.5° |
| CAL | CAM | H4 | 109.4° | 109.4° |
| CAM | CAL | H6 | 108.1° | 109.4° |
| OAG | CAM | CAK | 108.5° | 109.5° |
| OAG | CAM | H4 | 110.8° | 109.5° |
| CAM | OAG | H5 | 109.5° | 114.0° |
| CAM | CAK | OAE | 110.5° | 109.5° |
| CAM | CAK | CAI | 109.6° | 109.5° |
| CAM | CAK | H2 | 108.9° | 109.5° |
| CAK | CAM | H4 | 109.2° | 109.5° |
| OAE | CAK | CAI | 108.1° | 109.5° |
| OAE | CAK | H2 | 110.6° | 109.5° |
| CAK | OAE | H3 | 109.5° | 114.0° |
| CAK | CAI | OAA | 116.0° | 120.0° |
| CAK | CAI | OAC | 117.3° | 120.0° |
| CAI | CAK | H2 | 109.0° | 109.5° |
| OAA | CAI | OAC | 126.7° | 120.0° |
| CAI | OAC | H1 | 109.5° | 117.0° |
| H10 | CAH | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAH | CAJ | H10 | 119.5° | 120.0° |
| OAB | CAH | CAJ | H11 | 119.5° | 120.0° |
| OAB | CAH | CAJ | OAD | 72.5° | 65.0° |
| OAB | CAH | CAJ | CAL | 165.9° | 175.0° |
| OAB | CAH | CAJ | H8 | 47.2° | 55.0° |
| OAB | CAH | H10 | H11 | 121.7° | 120.0° |
| CAH | CAJ | OAD | CAL | 121.3° | 120.0° |
| CAH | CAJ | OAD | H8 | 118.8° | 120.0° |
| CAH | CAJ | CAL | H8 | 118.6° | 120.0° |
| CAH | CAJ | CAL | OAF | 53.2° | 55.0° |
| CAH | CAJ | CAL | CAM | 175.0° | 175.0° |
| CAH | CAJ | CAL | H6 | 68.0° | 65.0° |
| CAH | CAJ | OAD | H9 | 180.0° | 60.0° |
| CAJ | CAH | H10 | H11 | 121.6° | 120.0° |
| CAJ | CAH | OAB | H12 | 180.0° | 180.0° |
| OAD | CAJ | CAL | H8 | 120.5° | 120.0° |
| OAD | CAJ | CAL | OAF | 67.7° | 65.0° |
| OAD | CAJ | CAL | CAM | 54.1° | 55.0° |
| OAD | CAJ | CAL | H6 | 171.1° | 175.0° |
| OAD | CAJ | CAH | H10 | 168.1° | 55.0° |
| OAD | CAJ | CAH | H11 | 47.0° | 175.0° |
| CAJ | CAL | OAF | CAM | 121.2° | 120.0° |
| CAJ | CAL | OAF | H6 | 120.4° | 120.1° |
| CAJ | CAL | CAM | H6 | 117.0° | 120.0° |
| CAJ | CAL | CAM | OAG | 55.1° | 60.0° |
| CAJ | CAL | CAM | CAK | 173.9° | 180.0° |
| CAJ | CAL | CAM | H4 | 66.3° | 60.0° |
| CAJ | CAL | OAF | H7 | 180.0° | 60.0° |
| CAL | CAJ | OAD | H9 | 58.7° | 60.0° |
| CAL | CAJ | CAH | H10 | 46.4° | 65.0° |
| CAL | CAJ | CAH | H11 | 74.7° | 55.0° |
| OAF | CAL | CAM | H6 | 119.2° | 120.0° |
| OAF | CAL | CAM | OAG | 178.8° | NaN° |
| OAF | CAL | CAM | CAK | 62.4° | 60.0° |
| OAF | CAL | CAM | H4 | 57.5° | 60.0° |
| OAF | CAL | CAJ | H8 | 171.8° | 175.0° |
| CAL | CAM | OAG | CAK | 119.7° | 120.0° |
| CAL | CAM | OAG | H4 | 120.5° | 120.0° |
| CAL | CAM | CAK | H4 | 120.0° | 120.0° |
| CAL | CAM | CAK | OAE | 68.6° | 55.0° |
| CAL | CAM | CAK | CAI | 172.3° | 175.0° |
| CAL | CAM | CAK | H2 | 53.1° | 65.0° |
| CAL | CAM | OAG | H5 | 180.0° | 60.0° |
| CAM | CAL | OAF | H7 | 58.8° | 60.0° |
| CAM | CAL | CAJ | H8 | 66.4° | 65.0° |
| OAG | CAM | CAK | H4 | 120.8° | 120.0° |
| OAG | CAM | CAK | OAE | 50.5° | 65.0° |
| OAG | CAM | CAK | CAI | 68.5° | 55.0° |
| OAG | CAM | CAK | H2 | 172.2° | 175.0° |
| OAG | CAM | CAL | H6 | 61.9° | 60.0° |
| CAM | CAK | OAE | CAI | 120.0° | 120.0° |
| CAM | CAK | OAE | H2 | 120.7° | 120.0° |
| CAM | CAK | CAI | H2 | 119.2° | 120.0° |
| CAM | CAK | CAI | OAA | 73.8° | 115.0° |
| CAM | CAK | CAI | OAC | 107.9° | 65.3° |
| CAM | CAK | OAE | H3 | 180.0° | 60.0° |
| CAK | CAM | OAG | H5 | 60.3° | 60.0° |
| CAK | CAM | CAL | H6 | 56.8° | 60.0° |
| OAE | CAK | CAI | H2 | 120.3° | 120.0° |
| OAE | CAK | CAI | OAA | 165.6° | 5.0° |
| OAE | CAK | CAI | OAC | 12.6° | 174.7° |
| OAE | CAK | CAM | H4 | 171.3° | 174.9° |
| CAK | CAI | OAA | OAC | 178.1° | 179.8° |
| CAK | CAI | OAC | H1 | 178.1° | 179.7° |
| CAI | CAK | OAE | H3 | 60.0° | 60.0° |
| CAI | CAK | CAM | H4 | 52.3° | 65.0° |
| OAA | CAI | OAC | H1 | 0.0° | 0.0° |
| OAA | CAI | CAK | H2 | 45.4° | 125.0° |
| OAC | CAI | CAK | H2 | 132.9° | 54.7° |
| H2 | CAK | OAE | H3 | 59.3° | 180.0° |
| H2 | CAK | CAM | H4 | 67.0° | 55.0° |
| H4 | CAM | OAG | H5 | 59.5° | 180.0° |
| H4 | CAM | CAL | H6 | 176.7° | 180.0° |
| H6 | CAL | OAF | H7 | 59.6° | 180.0° |
| H6 | CAL | CAJ | H8 | 50.6° | 55.0° |
| H8 | CAJ | OAD | H9 | 61.1° | 180.0° |
| H8 | CAJ | CAH | H10 | 72.3° | 175.0° |
| H8 | CAJ | CAH | H11 | 166.6° | 65.0° |
| H10 | CAH | OAB | H12 | 60.6° | 60.1° |
| H11 | CAH | OAB | H12 | 60.6° | 60.0° |
