252
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 | CAO | sing | 1.53Å | 1.53Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAO | CAP | sing | 1.53Å | 1.53Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAP | P1P | sing | 1.82Å | 1.86Å | |
| CAP | OAD | sing | 1.43Å | 1.43Å | |
| CAP | P1R | sing | 1.82Å | 1.87Å | |
| P1P | OAB | doub | 1.48Å | 1.48Å | |
| P1P | OAE | sing | 1.61Å | 1.61Å | |
| P1P | OAF | sing | 1.61Å | 1.61Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| P1R | OAH | doub | 1.48Å | 1.61Å | |
| P1R | OAC | sing | 1.61Å | 1.48Å | |
| P1R | OAG | sing | 1.61Å | 1.61Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| OAC | HOAC | 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° | 109.5° |
| CAI | CAA | HAA2 | 109.5° | 109.5° |
| CAI | CAA | HAA3 | 109.5° | 109.5° |
| CAA | CAI | CAJ | 109.9° | 109.5° |
| CAA | CAI | HAI1 | 109.3° | 109.5° |
| CAA | CAI | HAI2 | 109.2° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
| CAJ | CAI | HAI1 | 109.3° | 109.5° |
| CAJ | CAI | HAI2 | 109.2° | 109.4° |
| CAI | CAJ | CAK | 111.2° | 109.5° |
| CAI | CAJ | HAJ1 | 108.9° | 109.5° |
| CAI | CAJ | HAJ2 | 108.5° | 109.4° |
| HAI1 | CAI | HAI2 | 109.8° | 109.5° |
| CAK | CAJ | HAJ1 | 108.9° | 109.5° |
| CAK | CAJ | HAJ2 | 108.5° | 109.5° |
| CAJ | CAK | CAL | 110.4° | 109.5° |
| CAJ | CAK | HAK1 | 109.2° | 109.5° |
| CAJ | CAK | HAK2 | 108.9° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 110.9° | 109.5° |
| CAL | CAK | HAK1 | 109.1° | 109.4° |
| CAL | CAK | HAK2 | 109.0° | 109.5° |
| CAK | CAL | CAM | 109.4° | 109.5° |
| CAK | CAL | HAL1 | 109.5° | 109.4° |
| CAK | CAL | HAL2 | 109.5° | 109.5° |
| HAK1 | CAK | HAK2 | 110.2° | 109.4° |
| CAM | CAL | HAL1 | 109.5° | 109.5° |
| CAM | CAL | HAL2 | 109.5° | 109.5° |
| CAL | CAM | CAN | 112.3° | 109.5° |
| CAL | CAM | HAM1 | 108.6° | 109.4° |
| CAL | CAM | HAM2 | 107.9° | 109.5° |
| HAL1 | CAL | HAL2 | 109.4° | 109.4° |
| CAN | CAM | HAM1 | 108.5° | 109.5° |
| CAN | CAM | HAM2 | 107.9° | 109.5° |
| CAM | CAN | CAO | 107.2° | 109.5° |
| CAM | CAN | HAN1 | 110.2° | 109.4° |
| CAM | CAN | HAN2 | 110.8° | 109.5° |
| HAM1 | CAM | HAM2 | 111.7° | 109.5° |
| CAO | CAN | HAN1 | 110.2° | 109.4° |
| CAO | CAN | HAN2 | 110.7° | 109.5° |
| CAN | CAO | CAP | 116.5° | 109.5° |
| CAN | CAO | HAO1 | 107.2° | 109.5° |
| CAN | CAO | HAO2 | 105.6° | 109.5° |
| HAN1 | CAN | HAN2 | 107.8° | 109.5° |
| CAP | CAO | HAO1 | 107.2° | 109.5° |
| CAP | CAO | HAO2 | 105.6° | 109.5° |
| CAO | CAP | P1P | 103.5° | 109.5° |
| CAO | CAP | OAD | 111.0° | 109.5° |
| CAO | CAP | P1R | 114.9° | 109.5° |
| HAO1 | CAO | HAO2 | 115.1° | 109.4° |
| P1P | CAP | OAD | 110.8° | 109.5° |
| P1P | CAP | P1R | 108.0° | 109.4° |
| CAP | P1P | OAB | 112.0° | 109.5° |
| CAP | P1P | OAE | 104.5° | 109.5° |
| CAP | P1P | OAF | 103.1° | 109.5° |
| OAD | CAP | P1R | 108.5° | 109.5° |
| CAP | OAD | HOAD | 109.5° | 114.0° |
| CAP | P1R | OAH | 104.2° | 109.5° |
| CAP | P1R | OAC | 114.8° | 109.5° |
| CAP | P1R | OAG | 107.7° | 109.5° |
| OAB | P1P | OAE | 114.4° | 109.5° |
| OAB | P1P | OAF | 113.5° | 109.4° |
| OAE | P1P | OAF | 108.3° | 109.5° |
| P1P | OAE | HOAE | 109.5° | 114.0° |
| P1P | OAF | HOAF | 109.5° | 114.0° |
| OAH | P1R | OAC | 112.3° | 109.5° |
| OAH | P1R | OAG | 105.6° | 109.5° |
| OAC | P1R | OAG | 111.6° | 109.5° |
| P1R | OAC | HOAC | 109.5° | 114.0° |
| P1R | 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° | 120.1° |
| CAA | CAI | CAJ | HAI1 | 120.0° | 120.0° |
| CAA | CAI | CAJ | HAI2 | 119.8° | 120.0° |
| CAA | CAI | HAI1 | HAI2 | 119.8° | 120.1° |
| CAA | CAI | CAJ | CAK | 177.2° | 180.0° |
| CAA | CAI | CAJ | HAJ1 | 62.8° | 60.0° |
| CAA | CAI | CAJ | HAJ2 | 57.9° | 60.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| HAA1 | CAA | CAI | CAJ | 115.4° | 180.0° |
| HAA1 | CAA | CAI | HAI1 | 4.6° | 60.0° |
| HAA1 | CAA | CAI | HAI2 | 124.8° | 60.0° |
| HAA2 | CAA | CAI | CAJ | 4.6° | 60.0° |
| HAA2 | CAA | CAI | HAI1 | 124.6° | 60.0° |
| HAA2 | CAA | CAI | HAI2 | 115.2° | 180.0° |
| HAA3 | CAA | CAI | CAJ | 124.6° | 60.0° |
| HAA3 | CAA | CAI | HAI1 | 115.4° | 180.0° |
| HAA3 | CAA | CAI | HAI2 | 4.8° | 60.0° |
| CAJ | CAI | HAI1 | HAI2 | 119.8° | 120.0° |
| CAI | CAJ | CAK | HAJ1 | 120.0° | 120.0° |
| CAI | CAJ | CAK | HAJ2 | 119.2° | 119.9° |
| CAI | CAJ | HAJ1 | HAJ2 | 119.3° | 120.0° |
| CAI | CAJ | CAK | CAL | 179.5° | 180.0° |
| CAI | CAJ | CAK | HAK1 | 60.5° | 60.0° |
| CAI | CAJ | CAK | HAK2 | 59.9° | 60.0° |
| HAI1 | CAI | CAJ | CAK | 57.2° | 60.0° |
| HAI1 | CAI | CAJ | HAJ1 | 177.2° | NaN° |
| HAI1 | CAI | CAJ | HAJ2 | 62.1° | 60.0° |
| HAI2 | CAI | CAJ | CAK | 63.0° | 60.0° |
| HAI2 | CAI | CAJ | HAJ1 | 57.0° | 60.0° |
| HAI2 | CAI | CAJ | HAJ2 | 177.8° | NaN° |
| CAK | CAJ | HAJ1 | HAJ2 | 119.3° | 120.1° |
| CAJ | CAK | CAL | HAK1 | 120.0° | 120.0° |
| CAJ | CAK | CAL | HAK2 | 119.6° | 120.1° |
| CAJ | CAK | HAK1 | HAK2 | 119.6° | 120.0° |
| CAJ | CAK | CAL | CAM | 176.4° | 180.0° |
| CAJ | CAK | CAL | HAL1 | 63.6° | 60.0° |
| CAJ | CAK | CAL | HAL2 | 56.3° | 59.9° |
| HAJ1 | CAJ | CAK | CAL | 59.5° | 60.0° |
| HAJ1 | CAJ | CAK | HAK1 | 179.5° | 180.0° |
| HAJ1 | CAJ | CAK | HAK2 | 60.1° | 60.0° |
| HAJ2 | CAJ | CAK | CAL | 61.3° | 60.0° |
| HAJ2 | CAJ | CAK | HAK1 | 58.7° | 60.0° |
| HAJ2 | CAJ | CAK | HAK2 | 179.1° | 179.9° |
| CAL | CAK | HAK1 | HAK2 | 119.6° | 119.9° |
| CAK | CAL | CAM | HAL1 | 120.0° | 120.0° |
| CAK | CAL | CAM | HAL2 | 120.0° | 120.1° |
| CAK | CAL | HAL1 | HAL2 | 120.0° | 119.9° |
| CAK | CAL | CAM | CAN | 169.2° | 180.0° |
| CAK | CAL | CAM | HAM1 | 70.8° | 60.0° |
| CAK | CAL | CAM | HAM2 | 50.4° | 59.9° |
| HAK1 | CAK | CAL | CAM | 56.4° | 60.0° |
| HAK1 | CAK | CAL | HAL1 | 176.4° | 180.0° |
| HAK1 | CAK | CAL | HAL2 | 63.7° | 60.1° |
| HAK2 | CAK | CAL | CAM | 64.0° | 59.9° |
| HAK2 | CAK | CAL | HAL1 | 56.0° | 60.1° |
| HAK2 | CAK | CAL | HAL2 | 175.9° | 180.0° |
| CAM | CAL | HAL1 | HAL2 | 120.0° | 120.0° |
| CAL | CAM | CAN | HAM1 | 120.0° | 119.9° |
| CAL | CAM | CAN | HAM2 | 118.8° | 120.0° |
| CAL | CAM | HAM1 | HAM2 | 118.8° | 120.0° |
| CAL | CAM | CAN | CAO | 167.8° | 180.0° |
| CAL | CAM | CAN | HAN1 | 47.8° | 60.1° |
| CAL | CAM | CAN | HAN2 | 71.3° | 59.9° |
| HAL1 | CAL | CAM | CAN | 49.2° | 60.0° |
| HAL1 | CAL | CAM | HAM1 | 169.2° | 180.0° |
| HAL1 | CAL | CAM | HAM2 | 69.6° | 60.0° |
| HAL2 | CAL | CAM | CAN | 70.8° | 59.9° |
| HAL2 | CAL | CAM | HAM1 | 49.3° | 60.0° |
| HAL2 | CAL | CAM | HAM2 | 170.5° | 180.0° |
| CAN | CAM | HAM1 | HAM2 | 118.8° | 120.1° |
| CAM | CAN | CAO | HAN1 | 120.0° | 119.9° |
| CAM | CAN | CAO | HAN2 | 120.9° | 120.0° |
| CAM | CAN | HAN1 | HAN2 | 121.0° | 120.0° |
| CAM | CAN | CAO | CAP | 168.7° | 174.6° |
| CAM | CAN | CAO | HAO1 | 71.3° | 54.6° |
| CAM | CAN | CAO | HAO2 | 52.0° | 65.4° |
| HAM1 | CAM | CAN | CAO | 72.1° | 60.1° |
| HAM1 | CAM | CAN | HAN1 | 167.9° | 180.0° |
| HAM1 | CAM | CAN | HAN2 | 48.7° | 60.0° |
| HAM2 | CAM | CAN | CAO | 49.1° | 60.0° |
| HAM2 | CAM | CAN | HAN1 | 70.9° | 60.0° |
| HAM2 | CAM | CAN | HAN2 | 169.9° | 180.0° |
| CAO | CAN | HAN1 | HAN2 | 120.9° | 120.0° |
| CAN | CAO | CAP | HAO1 | 120.0° | 120.0° |
| CAN | CAO | CAP | HAO2 | 116.8° | 120.1° |
| CAN | CAO | HAO1 | HAO2 | 117.1° | 120.0° |
| CAN | CAO | CAP | P1P | 157.6° | 53.7° |
| CAN | CAO | CAP | OAD | 83.5° | 173.7° |
| CAN | CAO | CAP | P1R | 40.0° | 66.3° |
| HAN1 | CAN | CAO | CAP | 48.7° | 65.5° |
| HAN1 | CAN | CAO | HAO1 | 168.8° | 174.5° |
| HAN1 | CAN | CAO | HAO2 | 68.0° | 54.6° |
| HAN2 | CAN | CAO | CAP | 70.4° | 54.6° |
| HAN2 | CAN | CAO | HAO1 | 49.6° | 65.5° |
| HAN2 | CAN | CAO | HAO2 | 172.9° | 174.6° |
| CAP | CAO | HAO1 | HAO2 | 117.1° | 120.0° |
| CAO | CAP | P1P | OAD | 119.0° | 120.1° |
| CAO | CAP | P1P | P1R | 122.3° | 120.0° |
| CAO | CAP | OAD | P1R | 127.2° | 120.0° |
| CAO | CAP | P1P | OAB | 176.4° | 64.9° |
| CAO | CAP | P1P | OAE | 52.0° | 175.0° |
| CAO | CAP | P1P | OAF | 61.1° | 55.0° |
| CAO | CAP | P1R | OAH | 177.9° | 173.8° |
| CAO | CAP | P1R | OAC | 54.7° | 66.2° |
| CAO | CAP | P1R | OAG | 70.2° | 53.8° |
| CAO | CAP | OAD | HOAD | 33.8° | 60.0° |
| HAO1 | CAO | CAP | P1P | 82.4° | 173.7° |
| HAO1 | CAO | CAP | OAD | 36.5° | 66.3° |
| HAO1 | CAO | CAP | P1R | 160.1° | 53.7° |
| HAO2 | CAO | CAP | P1P | 40.8° | 66.4° |
| HAO2 | CAO | CAP | OAD | 159.7° | 53.6° |
| HAO2 | CAO | CAP | P1R | 76.7° | 173.7° |
| P1P | CAP | OAD | P1R | 118.4° | 120.0° |
| CAP | P1P | OAB | OAE | 118.8° | 120.0° |
| CAP | P1P | OAB | OAF | 116.2° | 120.0° |
| CAP | P1P | OAE | OAF | 109.4° | 120.0° |
| CAP | P1P | OAE | HOAE | 132.6° | 179.9° |
| CAP | P1P | OAF | HOAF | 153.1° | 60.0° |
| P1P | CAP | P1R | OAH | 63.0° | 66.2° |
| P1P | CAP | P1R | OAC | 60.2° | 53.8° |
| P1P | CAP | P1R | OAG | 174.8° | 173.7° |
| P1P | CAP | OAD | HOAD | 148.3° | 60.1° |
| OAD | CAP | P1P | OAB | 57.4° | 175.0° |
| OAD | CAP | P1P | OAE | 67.0° | 55.0° |
| OAD | CAP | P1P | OAF | 179.8° | 65.0° |
| OAD | CAP | P1R | OAH | 57.2° | 53.7° |
| OAD | CAP | P1R | OAC | 179.6° | 173.7° |
| OAD | CAP | P1R | OAG | 54.6° | 66.3° |
| P1R | CAP | P1P | OAB | 61.3° | 55.0° |
| P1R | CAP | P1P | OAE | 174.3° | 65.0° |
| P1R | CAP | P1P | OAF | 61.1° | 175.0° |
| CAP | P1R | OAH | OAC | 124.8° | 120.0° |
| CAP | P1R | OAH | OAG | 113.3° | 120.0° |
| CAP | P1R | OAC | OAG | 122.9° | 120.0° |
| CAP | P1R | OAG | HOAG | 75.2° | 65.1° |
| CAP | P1R | OAC | HOAC | 93.4° | 179.9° |
| P1R | CAP | OAD | HOAD | 93.3° | 180.0° |
| OAB | P1P | OAE | OAF | 127.7° | 120.0° |
| OAB | P1P | OAE | HOAE | 9.7° | 60.0° |
| OAB | P1P | OAF | HOAF | 31.7° | 180.0° |
| OAE | P1P | OAF | HOAF | 96.5° | 60.1° |
| OAF | P1P | OAE | HOAE | 118.0° | 59.9° |
| OAH | P1R | OAC | OAG | 118.4° | 120.0° |
| OAH | P1R | OAG | HOAG | 173.9° | 174.8° |
| OAH | P1R | OAC | HOAC | 25.3° | 60.1° |
| OAC | P1R | OAG | HOAG | 51.6° | 54.9° |
| OAG | P1R | OAC | HOAC | 143.7° | 59.9° |
