OCB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.53Å | 1.53Å | |
| CAA | HAA1 | sing | 1.09Å | 1.11Å | |
| CAA | HAA2 | sing | 1.09Å | 1.12Å | |
| CAA | HAA3 | sing | 1.09Å | 1.12Å | |
| CAB | CAC | sing | 1.53Å | 1.53Å | |
| CAB | HAB1 | sing | 1.09Å | 1.12Å | |
| CAB | HAB2 | sing | 1.09Å | 1.11Å | |
| CAC | CAD | sing | 1.53Å | 1.53Å | |
| CAC | HAC1 | sing | 1.09Å | 1.12Å | |
| 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 | 1.12Å | |
| 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 | 1.12Å | |
| CAG | CAH | sing | 1.51Å | 1.53Å | |
| CAG | HAG1 | sing | 1.09Å | 1.12Å | |
| CAG | HAG2 | sing | 1.09Å | 1.11Å | |
| CAH | OAI | doub | 1.21Å | 1.23Å | |
| CAH | OAK | sing | 1.34Å | 1.36Å | |
| OAK | CAP | sing | 1.45Å | 1.44Å | |
| CAP | CAQ | sing | 1.53Å | 1.53Å | |
| CAP | CAO | sing | 1.53Å | 1.53Å | |
| CAP | HAP | sing | 1.09Å | 1.11Å | |
| CAQ | CAR | sing | 1.51Å | 1.53Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.11Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.12Å | |
| CAR | OAL | sing | 1.34Å | 1.23Å | |
| CAR | OAS | doub | 1.21Å | 1.23Å | |
| OAL | HAL | sing | 0.97Å | 0.95Å | |
| CAO | NAN | sing | 1.47Å | 1.47Å | |
| CAO | HAO1 | sing | 1.09Å | 1.12Å | |
| CAO | HAO2 | sing | 1.09Å | 1.11Å | |
| NAN | CAT | sing | 1.47Å | 1.47Å | |
| NAN | CAJ | sing | 1.47Å | 1.47Å | |
| NAN | CAM | sing | 1.47Å | 1.47Å | |
| CAT | HAT1 | sing | 1.09Å | 1.12Å | |
| CAT | HAT2 | sing | 1.09Å | 1.12Å | |
| CAT | HAT3 | sing | 1.09Å | 1.11Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.12Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.12Å | |
| CAJ | HAJ3 | sing | 1.09Å | 1.12Å | |
| CAM | HAM1 | sing | 1.09Å | 1.12Å | |
| CAM | HAM2 | sing | 1.09Å | 1.12Å | |
| CAM | HAM3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | HAA1 | 111.6° | 109.5° |
| CAB | CAA | HAA2 | 111.2° | 109.5° |
| CAB | CAA | HAA3 | 111.6° | 109.4° |
| CAA | CAB | CAC | 111.2° | 109.5° |
| CAA | CAB | HAB1 | 111.6° | 109.4° |
| CAA | CAB | HAB2 | 111.6° | 109.5° |
| HAA1 | CAA | HAA2 | 111.6° | 109.5° |
| HAA1 | CAA | HAA3 | 98.8° | 109.5° |
| HAA2 | CAA | HAA3 | 111.6° | 109.4° |
| CAC | CAB | HAB1 | 111.6° | 109.5° |
| CAC | CAB | HAB2 | 111.6° | 109.5° |
| CAB | CAC | CAD | 110.3° | 109.5° |
| CAB | CAC | HAC1 | 111.9° | 109.5° |
| CAB | CAC | HAC2 | 111.9° | 109.5° |
| HAB1 | CAB | HAB2 | 98.8° | 109.5° |
| CAD | CAC | HAC1 | 111.9° | 109.5° |
| CAD | CAC | HAC2 | 111.9° | 109.5° |
| CAC | CAD | CAE | 111.1° | 109.5° |
| CAC | CAD | HAD1 | 111.6° | 109.5° |
| CAC | CAD | HAD2 | 111.6° | 109.5° |
| HAC1 | CAC | HAC2 | 98.5° | 109.5° |
| CAE | CAD | HAD1 | 111.6° | 109.4° |
| CAE | CAD | HAD2 | 111.6° | 109.5° |
| CAD | CAE | CAF | 110.6° | 109.5° |
| CAD | CAE | HAE1 | 111.8° | 109.4° |
| CAD | CAE | HAE2 | 111.8° | 109.4° |
| HAD1 | CAD | HAD2 | 98.8° | 109.4° |
| CAF | CAE | HAE1 | 111.8° | 109.5° |
| CAF | CAE | HAE2 | 111.8° | 109.5° |
| CAE | CAF | CAG | 110.7° | 109.4° |
| CAE | CAF | HAF1 | 111.8° | 109.5° |
| CAE | CAF | HAF2 | 111.7° | 109.4° |
| HAE1 | CAE | HAE2 | 98.6° | 109.5° |
| CAG | CAF | HAF1 | 111.7° | 109.5° |
| CAG | CAF | HAF2 | 111.7° | 109.5° |
| CAF | CAG | CAH | 111.4° | 109.4° |
| CAF | CAG | HAG1 | 111.5° | 109.5° |
| CAF | CAG | HAG2 | 111.5° | 109.5° |
| HAF1 | CAF | HAF2 | 98.7° | 109.6° |
| CAH | CAG | HAG1 | 111.5° | 109.4° |
| CAH | CAG | HAG2 | 111.5° | 109.5° |
| CAG | CAH | OAI | 120.7° | 120.0° |
| CAG | CAH | OAK | 118.4° | 120.0° |
| HAG1 | CAG | HAG2 | 98.9° | 109.5° |
| OAI | CAH | OAK | 120.9° | 120.0° |
| CAH | OAK | CAP | 114.1° | 120.0° |
| OAK | CAP | CAQ | 107.0° | 109.5° |
| OAK | CAP | CAO | 109.9° | 109.5° |
| OAK | CAP | HAP | 110.9° | 109.5° |
| CAQ | CAP | CAO | 109.6° | 109.5° |
| CAQ | CAP | HAP | 111.1° | 109.4° |
| CAP | CAQ | CAR | 113.3° | 109.5° |
| CAP | CAQ | HAQ1 | 110.8° | 109.5° |
| CAP | CAQ | HAQ2 | 110.8° | 109.4° |
| CAO | CAP | HAP | 108.3° | 109.5° |
| CAP | CAO | NAN | 114.5° | 109.4° |
| CAP | CAO | HAO1 | 110.3° | 109.5° |
| CAP | CAO | HAO2 | 110.4° | 109.5° |
| CAR | CAQ | HAQ1 | 110.8° | 109.5° |
| CAR | CAQ | HAQ2 | 110.8° | 109.5° |
| CAQ | CAR | OAL | 120.1° | 120.0° |
| CAQ | CAR | OAS | 120.9° | 120.0° |
| HAQ1 | CAQ | HAQ2 | 99.5° | 109.5° |
| OAL | CAR | OAS | 119.1° | 120.0° |
| CAR | OAL | HAL | 120.1° | 120.0° |
| NAN | CAO | HAO1 | 110.4° | 109.5° |
| NAN | CAO | HAO2 | 110.3° | 109.5° |
| CAO | NAN | CAT | 107.3° | 109.5° |
| CAO | NAN | CAJ | 111.1° | 109.4° |
| CAO | NAN | CAM | 111.9° | 109.5° |
| HAO1 | CAO | HAO2 | 99.9° | 109.5° |
| CAT | NAN | CAJ | 108.4° | 109.4° |
| CAT | NAN | CAM | 108.1° | 109.5° |
| NAN | CAT | HAT1 | 113.0° | 109.5° |
| NAN | CAT | HAT2 | 107.3° | 109.5° |
| NAN | CAT | HAT3 | 113.0° | 109.5° |
| CAJ | NAN | CAM | 109.8° | 109.5° |
| NAN | CAJ | HAJ1 | 111.6° | 109.5° |
| NAN | CAJ | HAJ2 | 111.1° | 109.4° |
| NAN | CAJ | HAJ3 | 111.6° | 109.5° |
| NAN | CAM | HAM1 | 111.3° | 109.5° |
| NAN | CAM | HAM2 | 111.9° | 109.5° |
| NAN | CAM | HAM3 | 111.3° | 109.5° |
| HAT1 | CAT | HAT2 | 113.0° | 109.4° |
| HAT1 | CAT | HAT3 | 97.4° | 109.4° |
| HAT2 | CAT | HAT3 | 113.0° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 111.6° | 109.4° |
| HAJ1 | CAJ | HAJ3 | 98.8° | 109.5° |
| HAJ2 | CAJ | HAJ3 | 111.6° | 109.4° |
| HAM1 | CAM | HAM2 | 111.3° | 109.4° |
| HAM1 | CAM | HAM3 | 99.1° | 109.4° |
| HAM2 | CAM | HAM3 | 111.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | HAA1 | HAA2 | 125.0° | 120.0° |
| CAB | CAA | HAA1 | HAA3 | 117.5° | 120.0° |
| CAB | CAA | HAA2 | HAA3 | 125.3° | 119.9° |
| CAA | CAB | CAC | HAB1 | 125.3° | 120.0° |
| CAA | CAB | CAC | HAB2 | 125.2° | 120.0° |
| CAA | CAB | HAB1 | HAB2 | 117.5° | 120.0° |
| CAA | CAB | CAC | CAD | 179.4° | 180.0° |
| CAA | CAB | CAC | HAC1 | 54.2° | 60.0° |
| CAA | CAB | CAC | HAC2 | 55.3° | 60.0° |
| HAA1 | CAA | HAA2 | HAA3 | 109.5° | 120.1° |
| HAA1 | CAA | CAB | CAC | 54.7° | 180.0° |
| HAA1 | CAA | CAB | HAB1 | 70.5° | 60.0° |
| HAA1 | CAA | CAB | HAB2 | 180.0° | 60.0° |
| HAA2 | CAA | CAB | CAC | 180.0° | 59.9° |
| HAA2 | CAA | CAB | HAB1 | 54.7° | 60.1° |
| HAA2 | CAA | CAB | HAB2 | 54.8° | 180.0° |
| HAA3 | CAA | CAB | CAC | 54.8° | 60.0° |
| HAA3 | CAA | CAB | HAB1 | 180.0° | 180.0° |
| HAA3 | CAA | CAB | HAB2 | 70.5° | 60.0° |
| CAC | CAB | HAB1 | HAB2 | 117.5° | 120.0° |
| CAB | CAC | CAD | HAC1 | 125.3° | 120.0° |
| CAB | CAC | CAD | HAC2 | 125.3° | 120.0° |
| CAB | CAC | HAC1 | HAC2 | 117.8° | 120.0° |
| CAB | CAC | CAD | CAE | 173.0° | 180.0° |
| CAB | CAC | CAD | HAD1 | 61.7° | 60.0° |
| CAB | CAC | CAD | HAD2 | 47.7° | 60.0° |
| HAB1 | CAB | CAC | CAD | 55.3° | 60.0° |
| HAB1 | CAB | CAC | HAC1 | 179.4° | 180.0° |
| HAB1 | CAB | CAC | HAC2 | 70.0° | 60.0° |
| HAB2 | CAB | CAC | CAD | 54.2° | 60.0° |
| HAB2 | CAB | CAC | HAC1 | 71.1° | 60.0° |
| HAB2 | CAB | CAC | HAC2 | 179.5° | 180.0° |
| CAD | CAC | HAC1 | HAC2 | 117.8° | 120.0° |
| CAC | CAD | CAE | HAD1 | 125.3° | 120.0° |
| CAC | CAD | CAE | HAD2 | 125.2° | 120.1° |
| CAC | CAD | HAD1 | HAD2 | 117.5° | 120.0° |
| CAC | CAD | CAE | CAF | 170.3° | 180.0° |
| CAC | CAD | CAE | HAE1 | 45.0° | 60.0° |
| CAC | CAD | CAE | HAE2 | 64.4° | 60.0° |
| HAC1 | CAC | CAD | CAE | 47.7° | 60.0° |
| HAC1 | CAC | CAD | HAD1 | 173.0° | 180.0° |
| HAC1 | CAC | CAD | HAD2 | 77.5° | 60.0° |
| HAC2 | CAC | CAD | CAE | 61.7° | 60.0° |
| HAC2 | CAC | CAD | HAD1 | 63.6° | 60.0° |
| HAC2 | CAC | CAD | HAD2 | 173.0° | 180.0° |
| CAE | CAD | HAD1 | HAD2 | 117.5° | 119.9° |
| CAD | CAE | CAF | HAE1 | 125.3° | 120.0° |
| CAD | CAE | CAF | HAE2 | 125.3° | 120.0° |
| CAD | CAE | HAE1 | HAE2 | 117.7° | 119.9° |
| CAD | CAE | CAF | CAG | 170.0° | 180.0° |
| CAD | CAE | CAF | HAF1 | 64.7° | 60.0° |
| CAD | CAE | CAF | HAF2 | 44.8° | 60.0° |
| HAD1 | CAD | CAE | CAF | 64.4° | 60.0° |
| HAD1 | CAD | CAE | HAE1 | 170.3° | 180.0° |
| HAD1 | CAD | CAE | HAE2 | 60.8° | 60.0° |
| HAD2 | CAD | CAE | CAF | 45.0° | 60.0° |
| HAD2 | CAD | CAE | HAE1 | 80.2° | 60.1° |
| HAD2 | CAD | CAE | HAE2 | 170.3° | 180.0° |
| CAF | CAE | HAE1 | HAE2 | 117.7° | 120.0° |
| CAE | CAF | CAG | HAF1 | 125.3° | 120.0° |
| CAE | CAF | CAG | HAF2 | 125.2° | 119.9° |
| CAE | CAF | HAF1 | HAF2 | 117.7° | 120.0° |
| CAE | CAF | CAG | CAH | 170.8° | 180.0° |
| CAE | CAF | CAG | HAG1 | 45.6° | 60.0° |
| CAE | CAF | CAG | HAG2 | 63.9° | 60.0° |
| HAE1 | CAE | CAF | CAG | 44.8° | 60.0° |
| HAE1 | CAE | CAF | HAF1 | 170.0° | 180.0° |
| HAE1 | CAE | CAF | HAF2 | 80.5° | 60.0° |
| HAE2 | CAE | CAF | CAG | 64.7° | 60.0° |
| HAE2 | CAE | CAF | HAF1 | 60.5° | 60.0° |
| HAE2 | CAE | CAF | HAF2 | 170.0° | 180.0° |
| CAG | CAF | HAF1 | HAF2 | 117.7° | 120.1° |
| CAF | CAG | CAH | HAG1 | 125.3° | 120.0° |
| CAF | CAG | CAH | HAG2 | 125.3° | 120.0° |
| CAF | CAG | HAG1 | HAG2 | 117.4° | 120.1° |
| CAF | CAG | CAH | OAI | 17.1° | 0.1° |
| CAF | CAG | CAH | OAK | 164.1° | 180.0° |
| HAF1 | CAF | CAG | CAH | 63.9° | 60.1° |
| HAF1 | CAF | CAG | HAG1 | 170.8° | 180.0° |
| HAF1 | CAF | CAG | HAG2 | 61.3° | 59.9° |
| HAF2 | CAF | CAG | CAH | 45.6° | 60.0° |
| HAF2 | CAF | CAG | HAG1 | 79.7° | 59.9° |
| HAF2 | CAF | CAG | HAG2 | 170.8° | 180.0° |
| CAH | CAG | HAG1 | HAG2 | 117.4° | 120.0° |
| CAG | CAH | OAI | OAK | 178.8° | 180.0° |
| CAG | CAH | OAK | CAP | 178.2° | 173.8° |
| HAG1 | CAG | CAH | OAI | 142.3° | 120.0° |
| HAG1 | CAG | CAH | OAK | 38.9° | 60.0° |
| HAG2 | CAG | CAH | OAI | 108.2° | 120.0° |
| HAG2 | CAG | CAH | OAK | 70.6° | 60.0° |
| OAI | CAH | OAK | CAP | 3.0° | 6.2° |
| CAH | OAK | CAP | CAQ | 111.1° | 104.1° |
| CAH | OAK | CAP | CAO | 130.0° | 135.9° |
| CAH | OAK | CAP | HAP | 10.2° | 15.9° |
| OAK | CAP | CAQ | CAO | 119.1° | 120.0° |
| OAK | CAP | CAQ | HAP | 121.2° | 120.0° |
| OAK | CAP | CAO | HAP | 121.3° | 120.0° |
| OAK | CAP | CAQ | CAR | 173.9° | 65.0° |
| OAK | CAP | CAQ | HAQ1 | 60.8° | 175.0° |
| OAK | CAP | CAQ | HAQ2 | 48.7° | 55.0° |
| OAK | CAP | CAO | NAN | 60.7° | 62.7° |
| OAK | CAP | CAO | HAO1 | 174.0° | 57.3° |
| OAK | CAP | CAO | HAO2 | 64.6° | 177.3° |
| CAQ | CAP | CAO | HAP | 121.4° | 119.9° |
| CAP | CAQ | CAR | HAQ1 | 125.3° | 120.0° |
| CAP | CAQ | CAR | HAQ2 | 125.3° | 120.0° |
| CAP | CAQ | HAQ1 | HAQ2 | 116.7° | 120.0° |
| CAP | CAQ | CAR | OAL | 139.4° | 180.0° |
| CAP | CAQ | CAR | OAS | 40.0° | 0.0° |
| CAQ | CAP | CAO | NAN | 178.0° | 177.2° |
| CAQ | CAP | CAO | HAO1 | 56.7° | 62.8° |
| CAQ | CAP | CAO | HAO2 | 52.8° | 57.3° |
| CAO | CAP | CAQ | CAR | 54.8° | 175.0° |
| CAO | CAP | CAQ | HAQ1 | 179.9° | 55.0° |
| CAO | CAP | CAQ | HAQ2 | 70.4° | 65.0° |
| CAP | CAO | NAN | HAO1 | 125.2° | 120.0° |
| CAP | CAO | NAN | HAO2 | 125.3° | 120.0° |
| CAP | CAO | HAO1 | HAO2 | 116.2° | 120.0° |
| CAP | CAO | NAN | CAT | 173.8° | 76.3° |
| CAP | CAO | NAN | CAJ | 67.9° | 163.7° |
| CAP | CAO | NAN | CAM | 55.3° | 43.8° |
| HAP | CAP | CAQ | CAR | 64.9° | 55.0° |
| HAP | CAP | CAQ | HAQ1 | 60.4° | 65.0° |
| HAP | CAP | CAQ | HAQ2 | 169.9° | 175.0° |
| HAP | CAP | CAO | NAN | 60.6° | 57.3° |
| HAP | CAP | CAO | HAO1 | 64.7° | 177.3° |
| HAP | CAP | CAO | HAO2 | 174.2° | 62.7° |
| CAR | CAQ | HAQ1 | HAQ2 | 116.7° | 120.0° |
| CAQ | CAR | OAL | OAS | 179.4° | 180.0° |
| CAQ | CAR | OAL | HAL | 180.0° | 180.0° |
| HAQ1 | CAQ | CAR | OAL | 95.3° | 60.0° |
| HAQ1 | CAQ | CAR | OAS | 85.3° | 120.0° |
| HAQ2 | CAQ | CAR | OAL | 14.2° | 60.0° |
| HAQ2 | CAQ | CAR | OAS | 165.2° | 120.0° |
| OAS | CAR | OAL | HAL | 0.6° | 0.0° |
| NAN | CAO | HAO1 | HAO2 | 116.2° | 120.0° |
| CAO | NAN | CAT | CAJ | 120.1° | 119.9° |
| CAO | NAN | CAT | CAM | 120.9° | 120.1° |
| CAO | NAN | CAJ | CAM | 124.4° | 120.0° |
| CAO | NAN | CAT | HAT1 | 54.7° | 52.8° |
| CAO | NAN | CAT | HAT2 | 180.0° | 172.8° |
| CAO | NAN | CAT | HAT3 | 54.7° | 67.2° |
| CAO | NAN | CAJ | HAJ1 | 54.7° | 60.1° |
| CAO | NAN | CAJ | HAJ2 | 180.0° | 180.0° |
| CAO | NAN | CAJ | HAJ3 | 54.8° | 60.0° |
| CAO | NAN | CAM | HAM1 | 54.8° | 64.0° |
| CAO | NAN | CAM | HAM2 | 180.0° | 176.1° |
| CAO | NAN | CAM | HAM3 | 54.7° | 56.0° |
| HAO1 | CAO | NAN | CAT | 48.5° | 43.7° |
| HAO1 | CAO | NAN | CAJ | 166.9° | 76.3° |
| HAO1 | CAO | NAN | CAM | 69.9° | 163.8° |
| HAO2 | CAO | NAN | CAT | 60.9° | 163.7° |
| HAO2 | CAO | NAN | CAJ | 57.4° | 43.8° |
| HAO2 | CAO | NAN | CAM | 179.4° | 76.2° |
| CAT | NAN | CAJ | CAM | 117.9° | 120.0° |
| NAN | CAT | HAT1 | HAT2 | 122.1° | 120.0° |
| NAN | CAT | HAT1 | HAT3 | 118.9° | 120.0° |
| NAN | CAT | HAT2 | HAT3 | 125.2° | 120.0° |
| CAT | NAN | CAJ | HAJ1 | 63.0° | 180.0° |
| CAT | NAN | CAJ | HAJ2 | 62.3° | 60.0° |
| CAT | NAN | CAJ | HAJ3 | 172.4° | 59.9° |
| CAT | NAN | CAM | HAM1 | 172.7° | 56.1° |
| CAT | NAN | CAM | HAM2 | 62.0° | 63.9° |
| CAT | NAN | CAM | HAM3 | 63.2° | 176.1° |
| CAJ | NAN | CAT | HAT1 | 174.8° | 67.1° |
| CAJ | NAN | CAT | HAT2 | 59.9° | 52.9° |
| CAJ | NAN | CAT | HAT3 | 65.4° | 172.9° |
| NAN | CAJ | HAJ1 | HAJ2 | 125.0° | 119.9° |
| NAN | CAJ | HAJ1 | HAJ3 | 117.5° | 120.1° |
| NAN | CAJ | HAJ2 | HAJ3 | 125.3° | 120.0° |
| CAJ | NAN | CAM | HAM1 | 69.1° | 176.1° |
| CAJ | NAN | CAM | HAM2 | 56.1° | 56.1° |
| CAJ | NAN | CAM | HAM3 | 178.6° | 63.9° |
| CAM | NAN | CAT | HAT1 | 66.2° | 172.9° |
| CAM | NAN | CAT | HAT2 | 59.1° | 67.1° |
| CAM | NAN | CAT | HAT3 | 175.6° | 52.9° |
| CAM | NAN | CAJ | HAJ1 | 179.1° | 59.9° |
| CAM | NAN | CAJ | HAJ2 | 55.6° | 60.0° |
| CAM | NAN | CAJ | HAJ3 | 69.6° | 180.0° |
| NAN | CAM | HAM1 | HAM2 | 125.6° | 120.0° |
| NAN | CAM | HAM1 | HAM3 | 117.2° | 120.1° |
| NAN | CAM | HAM2 | HAM3 | 125.3° | 120.1° |
| HAT1 | CAT | HAT2 | HAT3 | 109.5° | 120.0° |
| HAJ1 | CAJ | HAJ2 | HAJ3 | 109.5° | 120.0° |
| HAM1 | CAM | HAM2 | HAM3 | 109.5° | 119.9° |
