028
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAI | sing | 1.53Å | 1.53Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAI | CAJ | sing | 1.53Å | 1.53Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAJ | CAK | sing | 1.53Å | 1.53Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAK | CAL | sing | 1.53Å | 1.53Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAL | CAM | sing | 1.53Å | 1.53Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAN | PAP | sing | 1.82Å | 1.86Å | |
| CAN | PAO | sing | 1.82Å | 1.87Å | |
| CAN | OAD | sing | 1.43Å | 1.43Å | |
| PAO | OAE | doub | 1.48Å | 1.61Å | |
| PAO | OAF | sing | 1.61Å | 1.61Å | |
| PAO | OAB | sing | 1.61Å | 1.48Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| PAP | OAC | doub | 1.48Å | 1.48Å | |
| PAP | OAH | sing | 1.61Å | 1.61Å | |
| PAP | OAG | sing | 1.61Å | 1.61Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAA | HAA1 | 109.5° | 109.4° |
| CAI | CAA | HAA2 | 109.5° | 109.5° |
| CAI | CAA | HAA3 | 109.5° | 109.5° |
| CAA | CAI | CAJ | 110.3° | 109.5° |
| CAA | CAI | HAI1 | 109.2° | 109.5° |
| CAA | CAI | HAI2 | 109.0° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| CAJ | CAI | HAI1 | 109.2° | 109.4° |
| CAJ | CAI | HAI2 | 109.0° | 109.4° |
| CAI | CAJ | CAK | 110.9° | 109.5° |
| CAI | CAJ | HAJ1 | 109.0° | 109.4° |
| CAI | CAJ | HAJ2 | 108.7° | 109.4° |
| HAI1 | CAI | HAI2 | 110.1° | 109.5° |
| CAK | CAJ | HAJ1 | 109.0° | 109.5° |
| CAK | CAJ | HAJ2 | 108.7° | 109.5° |
| CAJ | CAK | CAL | 109.7° | 109.5° |
| CAJ | CAK | HAK1 | 109.4° | 109.5° |
| CAJ | CAK | HAK2 | 109.3° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 110.6° | 109.5° |
| CAL | CAK | HAK1 | 109.4° | 109.5° |
| CAL | CAK | HAK2 | 109.3° | 109.5° |
| CAK | CAL | CAM | 112.2° | 109.5° |
| CAK | CAL | HAL1 | 108.6° | 109.5° |
| CAK | CAL | HAL2 | 108.0° | 109.5° |
| HAK1 | CAK | HAK2 | 109.6° | 109.5° |
| CAM | CAL | HAL1 | 108.6° | 109.5° |
| CAM | CAL | HAL2 | 108.0° | 109.5° |
| CAL | CAM | CAN | 107.0° | 109.5° |
| CAL | CAM | HAM1 | 110.3° | 109.5° |
| CAL | CAM | HAM2 | 110.9° | 109.5° |
| HAL1 | CAL | HAL2 | 111.6° | 109.5° |
| CAN | CAM | HAM1 | 110.3° | 109.4° |
| CAN | CAM | HAM2 | 110.8° | 109.5° |
| CAM | CAN | PAP | 111.2° | 109.4° |
| CAM | CAN | PAO | 113.4° | 109.5° |
| CAM | CAN | OAD | 108.0° | 109.5° |
| HAM1 | CAM | HAM2 | 107.6° | 109.5° |
| PAP | CAN | PAO | 111.8° | 109.5° |
| PAP | CAN | OAD | 102.8° | 109.5° |
| CAN | PAP | OAC | 114.1° | 109.5° |
| CAN | PAP | OAH | 99.5° | 109.4° |
| CAN | PAP | OAG | 108.5° | 109.5° |
| PAO | CAN | OAD | 109.1° | 109.5° |
| CAN | PAO | OAE | 109.5° | 109.5° |
| CAN | PAO | OAF | 102.4° | 109.5° |
| CAN | PAO | OAB | 113.9° | 109.5° |
| CAN | OAD | HOAD | 109.5° | 114.0° |
| OAE | PAO | OAF | 106.2° | 109.5° |
| OAE | PAO | OAB | 111.9° | 109.5° |
| OAF | PAO | OAB | 112.3° | 109.5° |
| PAO | OAF | HOAF | 109.5° | 114.0° |
| PAO | OAB | HOAB | 109.5° | 114.0° |
| OAC | PAP | OAH | 113.8° | 109.5° |
| OAC | PAP | OAG | 112.7° | 109.5° |
| OAH | PAP | OAG | 107.3° | 109.5° |
| PAP | OAH | HOAH | 109.5° | 114.0° |
| PAP | OAG | HOAG | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAI | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAI | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAI | CAJ | HAI1 | 120.0° | 120.0° |
| CAA | CAI | CAJ | HAI2 | 119.7° | 120.0° |
| CAA | CAI | HAI1 | HAI2 | 119.6° | 120.1° |
| CAA | CAI | CAJ | CAK | 177.0° | 180.0° |
| CAA | CAI | CAJ | HAJ1 | 63.0° | 60.0° |
| CAA | CAI | CAJ | HAJ2 | 57.7° | 60.0° |
| HAA1 | CAA | HAA2 | HAA3 | 119.9° | 120.1° |
| HAA1 | CAA | CAI | CAJ | 59.8° | 180.0° |
| HAA1 | CAA | CAI | HAI1 | 60.2° | 60.0° |
| HAA1 | CAA | CAI | HAI2 | 179.5° | 60.0° |
| HAA2 | CAA | CAI | CAJ | 60.2° | 60.0° |
| HAA2 | CAA | CAI | HAI1 | 179.8° | 60.0° |
| HAA2 | CAA | CAI | HAI2 | 59.5° | 180.0° |
| HAA3 | CAA | CAI | CAJ | 179.8° | 60.0° |
| HAA3 | CAA | CAI | HAI1 | 59.8° | 180.0° |
| HAA3 | CAA | CAI | HAI2 | 60.5° | 60.0° |
| CAJ | CAI | HAI1 | HAI2 | 119.7° | 119.9° |
| CAI | CAJ | CAK | HAJ1 | 120.0° | 120.0° |
| CAI | CAJ | CAK | HAJ2 | 119.4° | 120.0° |
| CAI | CAJ | HAJ1 | HAJ2 | 119.4° | 119.9° |
| CAI | CAJ | CAK | CAL | 55.7° | 180.0° |
| CAI | CAJ | CAK | HAK1 | 175.8° | 60.0° |
| CAI | CAJ | CAK | HAK2 | 64.1° | 60.0° |
| HAI1 | CAI | CAJ | CAK | 57.0° | 60.0° |
| HAI1 | CAI | CAJ | HAJ1 | 177.0° | 180.0° |
| HAI1 | CAI | CAJ | HAJ2 | 62.4° | 60.1° |
| HAI2 | CAI | CAJ | CAK | 63.3° | 60.0° |
| HAI2 | CAI | CAJ | HAJ1 | 56.7° | 60.1° |
| HAI2 | CAI | CAJ | HAJ2 | 177.3° | 180.0° |
| CAK | CAJ | HAJ1 | HAJ2 | 119.4° | 120.1° |
| CAJ | CAK | CAL | HAK1 | 120.0° | 120.0° |
| CAJ | CAK | CAL | HAK2 | 119.9° | 120.0° |
| CAJ | CAK | HAK1 | HAK2 | 119.9° | 120.0° |
| CAJ | CAK | CAL | CAM | 176.7° | 180.0° |
| CAJ | CAK | CAL | HAL1 | 63.3° | 60.0° |
| CAJ | CAK | CAL | HAL2 | 57.8° | 60.0° |
| HAJ1 | CAJ | CAK | CAL | 64.3° | 60.0° |
| HAJ1 | CAJ | CAK | HAK1 | 55.8° | 180.0° |
| HAJ1 | CAJ | CAK | HAK2 | 175.9° | 60.0° |
| HAJ2 | CAJ | CAK | CAL | 175.1° | 60.0° |
| HAJ2 | CAJ | CAK | HAK1 | 64.8° | 60.0° |
| HAJ2 | CAJ | CAK | HAK2 | 55.2° | 180.0° |
| CAL | CAK | HAK1 | HAK2 | 119.9° | 120.0° |
| CAK | CAL | CAM | HAL1 | 120.0° | 120.0° |
| CAK | CAL | CAM | HAL2 | 118.9° | 120.0° |
| CAK | CAL | HAL1 | HAL2 | 118.9° | 120.0° |
| CAK | CAL | CAM | CAN | 165.8° | 180.0° |
| CAK | CAL | CAM | HAM1 | 74.2° | 60.0° |
| CAK | CAL | CAM | HAM2 | 44.8° | 60.0° |
| HAK1 | CAK | CAL | CAM | 56.7° | 60.0° |
| HAK1 | CAK | CAL | HAL1 | 176.7° | 180.0° |
| HAK1 | CAK | CAL | HAL2 | 62.2° | 60.0° |
| HAK2 | CAK | CAL | CAM | 63.4° | 60.0° |
| HAK2 | CAK | CAL | HAL1 | 56.6° | 60.0° |
| HAK2 | CAK | CAL | HAL2 | 177.7° | 180.0° |
| CAM | CAL | HAL1 | HAL2 | 118.9° | 120.0° |
| CAL | CAM | CAN | HAM1 | 120.0° | 120.0° |
| CAL | CAM | CAN | HAM2 | 121.0° | 120.0° |
| CAL | CAM | HAM1 | HAM2 | 121.0° | 120.1° |
| CAL | CAM | CAN | PAP | 148.7° | 60.0° |
| CAL | CAM | CAN | PAO | 84.4° | 180.0° |
| CAL | CAM | CAN | OAD | 36.6° | 60.0° |
| HAL1 | CAL | CAM | CAN | 45.8° | 60.0° |
| HAL1 | CAL | CAM | HAM1 | 165.8° | 180.0° |
| HAL1 | CAL | CAM | HAM2 | 75.2° | 60.0° |
| HAL2 | CAL | CAM | CAN | 75.4° | 60.0° |
| HAL2 | CAL | CAM | HAM1 | 44.7° | 60.0° |
| HAL2 | CAL | CAM | HAM2 | 163.7° | 180.0° |
| CAN | CAM | HAM1 | HAM2 | 121.0° | 119.9° |
| CAM | CAN | PAP | PAO | 127.8° | 120.0° |
| CAM | CAN | PAP | OAD | 115.3° | 120.0° |
| CAM | CAN | PAO | OAD | 120.4° | 120.0° |
| CAM | CAN | PAO | OAE | 109.5° | 65.0° |
| CAM | CAN | PAO | OAF | 138.1° | 175.0° |
| CAM | CAN | PAO | OAB | 16.6° | 55.0° |
| CAM | CAN | PAP | OAC | 104.5° | 60.0° |
| CAM | CAN | PAP | OAH | 134.0° | 180.0° |
| CAM | CAN | PAP | OAG | 22.0° | 60.0° |
| CAM | CAN | OAD | HOAD | 141.8° | 60.0° |
| HAM1 | CAM | CAN | PAP | 91.3° | 180.0° |
| HAM1 | CAM | CAN | PAO | 35.6° | 60.0° |
| HAM1 | CAM | CAN | OAD | 156.6° | 60.0° |
| HAM2 | CAM | CAN | PAP | 27.7° | 60.0° |
| HAM2 | CAM | CAN | PAO | 154.6° | 60.0° |
| HAM2 | CAM | CAN | OAD | 84.4° | 180.0° |
| PAP | CAN | PAO | OAD | 113.0° | 120.0° |
| PAP | CAN | PAO | OAE | 17.1° | 55.0° |
| PAP | CAN | PAO | OAF | 95.3° | 65.0° |
| PAP | CAN | PAO | OAB | 143.2° | 175.0° |
| CAN | PAP | OAC | OAH | 113.2° | 120.0° |
| CAN | PAP | OAC | OAG | 124.3° | 120.0° |
| CAN | PAP | OAH | OAG | 112.9° | 120.0° |
| CAN | PAP | OAG | HOAG | 154.8° | 60.0° |
| CAN | PAP | OAH | HOAH | 136.1° | 180.0° |
| PAP | CAN | OAD | HOAD | 24.2° | 180.0° |
| CAN | PAO | OAE | OAF | 109.9° | 120.0° |
| CAN | PAO | OAE | OAB | 127.2° | 120.0° |
| CAN | PAO | OAF | OAB | 122.5° | 120.0° |
| CAN | PAO | OAF | HOAF | 70.6° | 180.0° |
| CAN | PAO | OAB | HOAB | 41.7° | 60.0° |
| PAO | CAN | PAP | OAC | 23.3° | 60.0° |
| PAO | CAN | PAP | OAH | 98.2° | 60.0° |
| PAO | CAN | PAP | OAG | 149.8° | 180.0° |
| PAO | CAN | OAD | HOAD | 94.6° | 60.0° |
| OAD | CAN | PAO | OAE | 130.2° | 175.0° |
| OAD | CAN | PAO | OAF | 17.7° | 55.0° |
| OAD | CAN | PAO | OAB | 103.8° | 65.0° |
| OAD | CAN | PAP | OAC | 140.1° | 180.0° |
| OAD | CAN | PAP | OAH | 18.6° | 60.0° |
| OAD | CAN | PAP | OAG | 93.4° | 60.0° |
| OAE | PAO | OAF | OAB | 122.6° | 120.0° |
| OAE | PAO | OAF | HOAF | 174.6° | 60.0° |
| OAE | PAO | OAB | HOAB | 166.5° | 180.0° |
| OAF | PAO | OAB | HOAB | 74.2° | 60.0° |
| OAB | PAO | OAF | HOAF | 52.0° | 60.0° |
| OAC | PAP | OAH | OAG | 125.4° | 120.0° |
| OAC | PAP | OAG | HOAG | 27.5° | 180.0° |
| OAC | PAP | OAH | HOAH | 14.3° | 60.0° |
| OAH | PAP | OAG | HOAG | 98.6° | 60.0° |
| OAG | PAP | OAH | HOAH | 111.0° | 60.0° |
