DRE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAB | sing | 1.47Å | 1.47Å | |
| NAA | HAA1 | sing | 1.01Å | 1.02Å | |
| NAA | HAA2 | sing | 1.01Å | 1.02Å | |
| CAB | CAC | sing | 1.53Å | 1.53Å | |
| CAB | HAB1 | sing | 1.09Å | 1.11Å | |
| CAB | HAB2 | sing | 1.09Å | 1.12Å | |
| CAC | CAD | sing | 1.53Å | 1.53Å | |
| CAC | HAC1 | sing | 1.09Å | 1.11Å | |
| CAC | HAC2 | sing | 1.09Å | 1.12Å | |
| CAD | CAE | sing | 1.53Å | 1.53Å | |
| CAD | HAD1 | sing | 1.09Å | 1.12Å | |
| CAD | HAD2 | sing | 1.09Å | 1.11Å | |
| CAE | CAF | sing | 1.53Å | 1.53Å | |
| CAE | HAE1 | sing | 1.09Å | 1.11Å | |
| CAE | HAE2 | sing | 1.09Å | 1.11Å | |
| CAF | CAG | sing | 1.53Å | 1.53Å | |
| CAF | HAF1 | sing | 1.09Å | 1.11Å | |
| CAF | HAF2 | sing | 1.09Å | 1.11Å | |
| CAG | NAH | sing | 1.47Å | 1.47Å | |
| CAG | HAG1 | sing | 1.09Å | 1.11Å | |
| CAG | HAG2 | sing | 1.09Å | 1.11Å | |
| NAH | CAI | sing | 1.47Å | 1.47Å | |
| NAH | HAH | sing | 1.01Å | 1.02Å | |
| CAI | CAJ | sing | 1.53Å | 1.53Å | |
| CAI | HAI1 | sing | 1.09Å | 1.11Å | |
| CAI | HAI2 | sing | 1.09Å | 1.11Å | |
| CAJ | CAK | sing | 1.53Å | 1.53Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.11Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.11Å | |
| CAK | CAL | sing | 1.53Å | 1.53Å | |
| CAK | HAK1 | sing | 1.09Å | 1.12Å | |
| CAK | HAK2 | sing | 1.09Å | 1.11Å | |
| CAL | CAM | sing | 1.53Å | 1.53Å | |
| CAL | HAL1 | sing | 1.09Å | 1.11Å | |
| CAL | HAL2 | sing | 1.09Å | 1.11Å | |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAM | HAM1 | sing | 1.09Å | 1.11Å | |
| CAM | HAM2 | sing | 1.09Å | 1.12Å | |
| CAN | NAO | sing | 1.47Å | 1.47Å | |
| CAN | HAN1 | sing | 1.09Å | 1.12Å | |
| CAN | HAN2 | sing | 1.09Å | 1.11Å | |
| NAO | HAO1 | sing | 1.01Å | 1.02Å | |
| NAO | HAO2 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | NAA | HAA1 | 109.9° | 106.7° |
| CAB | NAA | HAA2 | 112.1° | 106.7° |
| NAA | CAB | CAC | 109.9° | 109.5° |
| NAA | CAB | HAB1 | 112.0° | 109.5° |
| NAA | CAB | HAB2 | 112.0° | 109.4° |
| HAA1 | NAA | HAA2 | 111.9° | 106.7° |
| CAC | CAB | HAB1 | 112.1° | 109.5° |
| CAC | CAB | HAB2 | 112.0° | 109.5° |
| CAB | CAC | CAD | 111.2° | 109.4° |
| CAB | CAC | HAC1 | 111.6° | 109.4° |
| CAB | CAC | HAC2 | 111.5° | 109.5° |
| HAB1 | CAB | HAB2 | 98.4° | 109.4° |
| CAD | CAC | HAC1 | 111.6° | 109.5° |
| CAD | CAC | HAC2 | 111.6° | 109.5° |
| CAC | CAD | CAE | 110.9° | 109.4° |
| CAC | CAD | HAD1 | 111.6° | 109.5° |
| CAC | CAD | HAD2 | 111.7° | 109.5° |
| HAC1 | CAC | HAC2 | 98.8° | 109.5° |
| CAE | CAD | HAD1 | 111.7° | 109.5° |
| CAE | CAD | HAD2 | 111.7° | 109.4° |
| CAD | CAE | CAF | 110.9° | 109.5° |
| CAD | CAE | HAE1 | 111.7° | 109.5° |
| CAD | CAE | HAE2 | 111.6° | 109.4° |
| HAD1 | CAD | HAD2 | 98.7° | 109.5° |
| CAF | CAE | HAE1 | 111.7° | 109.5° |
| CAF | CAE | HAE2 | 111.7° | 109.5° |
| CAE | CAF | CAG | 110.6° | 109.5° |
| CAE | CAF | HAF1 | 111.8° | 109.5° |
| CAE | CAF | HAF2 | 111.8° | 109.5° |
| HAE1 | CAE | HAE2 | 98.7° | 109.4° |
| CAG | CAF | HAF1 | 111.8° | 109.4° |
| CAG | CAF | HAF2 | 111.8° | 109.5° |
| CAF | CAG | NAH | 109.7° | 109.5° |
| CAF | CAG | HAG1 | 112.1° | 109.5° |
| CAF | CAG | HAG2 | 112.1° | 109.5° |
| HAF1 | CAF | HAF2 | 98.6° | 109.5° |
| NAH | CAG | HAG1 | 112.2° | 109.4° |
| NAH | CAG | HAG2 | 112.2° | 109.4° |
| CAG | NAH | CAI | 111.0° | 106.7° |
| CAG | NAH | HAH | 111.6° | 106.7° |
| HAG1 | CAG | HAG2 | 98.3° | 109.5° |
| CAI | NAH | HAH | 111.6° | 106.7° |
| NAH | CAI | CAJ | 110.9° | 109.5° |
| NAH | CAI | HAI1 | 111.6° | 109.4° |
| NAH | CAI | HAI2 | 111.6° | 109.4° |
| CAJ | CAI | HAI1 | 111.7° | 109.5° |
| CAJ | CAI | HAI2 | 111.7° | 109.5° |
| CAI | CAJ | CAK | 111.8° | 109.5° |
| CAI | CAJ | HAJ1 | 111.3° | 109.4° |
| CAI | CAJ | HAJ2 | 111.3° | 109.5° |
| HAI1 | CAI | HAI2 | 98.7° | 109.5° |
| CAK | CAJ | HAJ1 | 111.4° | 109.5° |
| CAK | CAJ | HAJ2 | 111.4° | 109.5° |
| CAJ | CAK | CAL | 111.5° | 109.5° |
| CAJ | CAK | HAK1 | 111.4° | 109.5° |
| CAJ | CAK | HAK2 | 111.5° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 99.0° | 109.5° |
| CAL | CAK | HAK1 | 111.5° | 109.5° |
| CAL | CAK | HAK2 | 111.5° | 109.4° |
| CAK | CAL | CAM | 111.6° | 109.4° |
| CAK | CAL | HAL1 | 111.4° | 109.5° |
| CAK | CAL | HAL2 | 111.4° | 109.4° |
| HAK1 | CAK | HAK2 | 98.9° | 109.4° |
| CAM | CAL | HAL1 | 111.4° | 109.5° |
| CAM | CAL | HAL2 | 111.4° | 109.5° |
| CAL | CAM | CAN | 111.6° | 109.4° |
| CAL | CAM | HAM1 | 111.4° | 109.5° |
| CAL | CAM | HAM2 | 111.4° | 109.5° |
| HAL1 | CAL | HAL2 | 99.0° | 109.5° |
| CAN | CAM | HAM1 | 111.4° | 109.4° |
| CAN | CAM | HAM2 | 111.4° | 109.5° |
| CAM | CAN | NAO | 109.6° | 109.5° |
| CAM | CAN | HAN1 | 112.1° | 109.5° |
| CAM | CAN | HAN2 | 112.2° | 109.5° |
| HAM1 | CAM | HAM2 | 99.0° | 109.5° |
| NAO | CAN | HAN1 | 112.1° | 109.5° |
| NAO | CAN | HAN2 | 112.2° | 109.4° |
| CAN | NAO | HAO1 | 109.6° | 106.7° |
| CAN | NAO | HAO2 | 112.1° | 106.7° |
| HAN1 | CAN | HAN2 | 98.3° | 109.4° |
| HAO1 | NAO | HAO2 | 112.2° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | NAA | HAA1 | HAA2 | 125.3° | 113.7° |
| NAA | CAB | CAC | HAB1 | 125.2° | 120.0° |
| NAA | CAB | CAC | HAB2 | 125.2° | 120.0° |
| NAA | CAB | HAB1 | HAB2 | 118.0° | 119.9° |
| NAA | CAB | CAC | CAD | 60.6° | 180.0° |
| NAA | CAB | CAC | HAC1 | 174.1° | 60.0° |
| NAA | CAB | CAC | HAC2 | 64.7° | 60.0° |
| HAA1 | NAA | CAB | CAC | 180.0° | 180.0° |
| HAA1 | NAA | CAB | HAB1 | 54.8° | 59.9° |
| HAA1 | NAA | CAB | HAB2 | 54.7° | 60.0° |
| HAA2 | NAA | CAB | CAC | 54.8° | 66.2° |
| HAA2 | NAA | CAB | HAB1 | 180.0° | 53.8° |
| HAA2 | NAA | CAB | HAB2 | 70.5° | 173.7° |
| CAC | CAB | HAB1 | HAB2 | 118.0° | 120.1° |
| CAB | CAC | CAD | HAC1 | 125.3° | 120.0° |
| CAB | CAC | CAD | HAC2 | 125.2° | 120.0° |
| CAB | CAC | HAC1 | HAC2 | 117.4° | 120.0° |
| CAB | CAC | CAD | CAE | 179.8° | 180.0° |
| CAB | CAC | CAD | HAD1 | 54.5° | 60.0° |
| CAB | CAC | CAD | HAD2 | 54.9° | 60.0° |
| HAB1 | CAB | CAC | CAD | 64.7° | 60.0° |
| HAB1 | CAB | CAC | HAC1 | 60.6° | 180.0° |
| HAB1 | CAB | CAC | HAC2 | 170.0° | 60.0° |
| HAB2 | CAB | CAC | CAD | 174.2° | 60.0° |
| HAB2 | CAB | CAC | HAC1 | 48.9° | 60.0° |
| HAB2 | CAB | CAC | HAC2 | 60.5° | 180.0° |
| CAD | CAC | HAC1 | HAC2 | 117.5° | 120.1° |
| CAC | CAD | CAE | HAD1 | 125.2° | 120.0° |
| CAC | CAD | CAE | HAD2 | 125.3° | 120.0° |
| CAC | CAD | HAD1 | HAD2 | 117.6° | 120.0° |
| CAC | CAD | CAE | CAF | 174.9° | 180.0° |
| CAC | CAD | CAE | HAE1 | 59.7° | 59.9° |
| CAC | CAD | CAE | HAE2 | 49.7° | 60.0° |
| HAC1 | CAC | CAD | CAE | 54.9° | 60.0° |
| HAC1 | CAC | CAD | HAD1 | 179.8° | 180.0° |
| HAC1 | CAC | CAD | HAD2 | 70.4° | 59.9° |
| HAC2 | CAC | CAD | CAE | 54.6° | 60.1° |
| HAC2 | CAC | CAD | HAD1 | 70.7° | 59.9° |
| HAC2 | CAC | CAD | HAD2 | 179.9° | 180.0° |
| CAE | CAD | HAD1 | HAD2 | 117.6° | 120.0° |
| CAD | CAE | CAF | HAE1 | 125.3° | 120.1° |
| CAD | CAE | CAF | HAE2 | 125.2° | 120.0° |
| CAD | CAE | HAE1 | HAE2 | 117.5° | 119.9° |
| CAD | CAE | CAF | CAG | 178.6° | 180.0° |
| CAD | CAE | CAF | HAF1 | 53.3° | 60.0° |
| CAD | CAE | CAF | HAF2 | 56.1° | 60.0° |
| HAD1 | CAD | CAE | CAF | 49.7° | 60.0° |
| HAD1 | CAD | CAE | HAE1 | 175.0° | 180.0° |
| HAD1 | CAD | CAE | HAE2 | 75.5° | 60.0° |
| HAD2 | CAD | CAE | CAF | 59.8° | 60.0° |
| HAD2 | CAD | CAE | HAE1 | 65.5° | 60.0° |
| HAD2 | CAD | CAE | HAE2 | 175.0° | 180.0° |
| CAF | CAE | HAE1 | HAE2 | 117.6° | 120.0° |
| CAE | CAF | CAG | HAF1 | 125.3° | 120.0° |
| CAE | CAF | CAG | HAF2 | 125.3° | 120.0° |
| CAE | CAF | HAF1 | HAF2 | 117.7° | 120.0° |
| CAE | CAF | CAG | NAH | 179.0° | 180.0° |
| CAE | CAF | CAG | HAG1 | 55.7° | 60.0° |
| CAE | CAF | CAG | HAG2 | 53.7° | 60.0° |
| HAE1 | CAE | CAF | CAG | 56.1° | 60.0° |
| HAE1 | CAE | CAF | HAF1 | 178.6° | 179.9° |
| HAE1 | CAE | CAF | HAF2 | 69.2° | 60.0° |
| HAE2 | CAE | CAF | CAG | 53.4° | 60.0° |
| HAE2 | CAE | CAF | HAF1 | 71.9° | 60.0° |
| HAE2 | CAE | CAF | HAF2 | 178.7° | NaN° |
| CAG | CAF | HAF1 | HAF2 | 117.7° | 120.0° |
| CAF | CAG | NAH | HAG1 | 125.3° | 120.0° |
| CAF | CAG | NAH | HAG2 | 125.2° | 120.0° |
| CAF | CAG | HAG1 | HAG2 | 118.0° | 120.1° |
| CAF | CAG | NAH | CAI | 174.4° | 180.0° |
| CAF | CAG | NAH | HAH | 49.2° | 66.2° |
| HAF1 | CAF | CAG | NAH | 53.7° | 60.0° |
| HAF1 | CAF | CAG | HAG1 | 179.0° | 180.0° |
| HAF1 | CAF | CAG | HAG2 | 71.6° | 60.0° |
| HAF2 | CAF | CAG | NAH | 55.8° | 60.0° |
| HAF2 | CAF | CAG | HAG1 | 69.5° | 60.0° |
| HAF2 | CAF | CAG | HAG2 | 179.0° | 180.0° |
| NAH | CAG | HAG1 | HAG2 | 118.1° | 119.9° |
| CAG | NAH | CAI | HAH | 125.3° | 113.8° |
| CAG | NAH | CAI | CAJ | 85.3° | 180.0° |
| CAG | NAH | CAI | HAI1 | 40.0° | 60.0° |
| CAG | NAH | CAI | HAI2 | 149.4° | 60.0° |
| HAG1 | CAG | NAH | CAI | 49.2° | 60.0° |
| HAG1 | CAG | NAH | HAH | 76.1° | 173.8° |
| HAG2 | CAG | NAH | CAI | 60.4° | 60.0° |
| HAG2 | CAG | NAH | HAH | 174.4° | 53.8° |
| NAH | CAI | CAJ | HAI1 | 125.2° | 120.0° |
| NAH | CAI | CAJ | HAI2 | 125.2° | 120.0° |
| NAH | CAI | HAI1 | HAI2 | 117.5° | 119.9° |
| NAH | CAI | CAJ | CAK | 66.8° | 180.0° |
| NAH | CAI | CAJ | HAJ1 | 167.9° | 60.0° |
| NAH | CAI | CAJ | HAJ2 | 58.5° | 60.0° |
| HAH | NAH | CAI | CAJ | 40.0° | 66.2° |
| HAH | NAH | CAI | HAI1 | 165.2° | 173.8° |
| HAH | NAH | CAI | HAI2 | 85.3° | 53.8° |
| CAJ | CAI | HAI1 | HAI2 | 117.6° | 120.1° |
| CAI | CAJ | CAK | HAJ1 | 125.3° | 120.0° |
| CAI | CAJ | CAK | HAJ2 | 125.2° | 120.0° |
| CAI | CAJ | HAJ1 | HAJ2 | 117.2° | 120.0° |
| CAI | CAJ | CAK | CAL | 179.4° | 180.0° |
| CAI | CAJ | CAK | HAK1 | 55.3° | 60.0° |
| CAI | CAJ | CAK | HAK2 | 54.1° | 60.0° |
| HAI1 | CAI | CAJ | CAK | 58.5° | 60.0° |
| HAI1 | CAI | CAJ | HAJ1 | 66.8° | 180.0° |
| HAI1 | CAI | CAJ | HAJ2 | 176.3° | 60.0° |
| HAI2 | CAI | CAJ | CAK | 168.0° | 60.0° |
| HAI2 | CAI | CAJ | HAJ1 | 42.7° | 60.0° |
| HAI2 | CAI | CAJ | HAJ2 | 66.8° | 180.0° |
| CAK | CAJ | HAJ1 | HAJ2 | 117.3° | 120.0° |
| CAJ | CAK | CAL | HAK1 | 125.2° | 120.1° |
| CAJ | CAK | CAL | HAK2 | 125.3° | 120.0° |
| CAJ | CAK | HAK1 | HAK2 | 117.3° | 120.0° |
| CAJ | CAK | CAL | CAM | 175.1° | 180.0° |
| CAJ | CAK | CAL | HAL1 | 49.8° | 60.0° |
| CAJ | CAK | CAL | HAL2 | 59.6° | 60.0° |
| HAJ1 | CAJ | CAK | CAL | 54.1° | 60.0° |
| HAJ1 | CAJ | CAK | HAK1 | 179.4° | 179.9° |
| HAJ1 | CAJ | CAK | HAK2 | 71.2° | 60.0° |
| HAJ2 | CAJ | CAK | CAL | 55.4° | 60.0° |
| HAJ2 | CAJ | CAK | HAK1 | 69.8° | 60.0° |
| HAJ2 | CAJ | CAK | HAK2 | 179.3° | NaN° |
| CAL | CAK | HAK1 | HAK2 | 117.4° | 119.9° |
| CAK | CAL | CAM | HAL1 | 125.2° | 120.0° |
| CAK | CAL | CAM | HAL2 | 125.2° | 119.9° |
| CAK | CAL | HAL1 | HAL2 | 117.3° | 120.0° |
| CAK | CAL | CAM | CAN | 65.3° | 180.0° |
| CAK | CAL | CAM | HAM1 | 169.4° | 60.0° |
| CAK | CAL | CAM | HAM2 | 59.9° | 60.1° |
| HAK1 | CAK | CAL | CAM | 59.7° | 59.9° |
| HAK1 | CAK | CAL | HAL1 | 175.1° | 180.0° |
| HAK1 | CAK | CAL | HAL2 | 65.6° | 60.0° |
| HAK2 | CAK | CAL | CAM | 49.8° | 60.0° |
| HAK2 | CAK | CAL | HAL1 | 75.4° | 60.0° |
| HAK2 | CAK | CAL | HAL2 | 175.1° | 180.0° |
| CAM | CAL | HAL1 | HAL2 | 117.4° | 120.0° |
| CAL | CAM | CAN | HAM1 | 125.3° | 120.0° |
| CAL | CAM | CAN | HAM2 | 125.2° | 120.0° |
| CAL | CAM | HAM1 | HAM2 | 117.3° | 120.1° |
| CAL | CAM | CAN | NAO | 177.7° | 180.0° |
| CAL | CAM | CAN | HAN1 | 52.5° | 60.0° |
| CAL | CAM | CAN | HAN2 | 57.0° | 60.0° |
| HAL1 | CAL | CAM | CAN | 59.9° | 60.0° |
| HAL1 | CAL | CAM | HAM1 | 65.3° | 180.0° |
| HAL1 | CAL | CAM | HAM2 | 174.8° | 59.9° |
| HAL2 | CAL | CAM | CAN | 169.4° | 60.0° |
| HAL2 | CAL | CAM | HAM1 | 44.2° | 59.9° |
| HAL2 | CAL | CAM | HAM2 | 65.3° | 180.0° |
| CAN | CAM | HAM1 | HAM2 | 117.3° | 120.0° |
| CAM | CAN | NAO | HAN1 | 125.2° | 120.0° |
| CAM | CAN | NAO | HAN2 | 125.3° | 120.0° |
| CAM | CAN | HAN1 | HAN2 | 118.1° | 120.1° |
| CAM | CAN | NAO | HAO1 | 180.0° | 66.2° |
| CAM | CAN | NAO | HAO2 | 54.8° | 180.0° |
| HAM1 | CAM | CAN | NAO | 57.0° | 60.0° |
| HAM1 | CAM | CAN | HAN1 | 177.8° | 180.0° |
| HAM1 | CAM | CAN | HAN2 | 68.3° | 60.0° |
| HAM2 | CAM | CAN | NAO | 52.5° | 60.0° |
| HAM2 | CAM | CAN | HAN1 | 72.8° | 60.0° |
| HAM2 | CAM | CAN | HAN2 | 177.8° | 180.0° |
| NAO | CAN | HAN1 | HAN2 | 118.1° | 119.9° |
| CAN | NAO | HAO1 | HAO2 | 125.2° | 113.7° |
| HAN1 | CAN | NAO | HAO1 | 54.7° | 53.8° |
| HAN1 | CAN | NAO | HAO2 | 70.5° | 59.9° |
| HAN2 | CAN | NAO | HAO1 | 54.7° | 173.7° |
| HAN2 | CAN | NAO | HAO2 | 179.9° | 60.0° |
