TOR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | CAU | sing | 1.53Å | 1.54Å | |
| CAU | CAV | sing | 1.53Å | 1.54Å | |
| CAU | OAR | sing | 1.44Å | 1.48Å | |
| CAU | OAQ | sing | 1.44Å | 1.43Å | |
| OAR | CAL | sing | 1.43Å | 1.40Å | |
| OAQ | CAK | sing | 1.46Å | 1.47Å | |
| CAK | CAG | sing | 1.53Å | 1.56Å | |
| CAK | CAL | sing | 1.53Å | 1.55Å | |
| CAG | OAF | sing | 1.46Å | 1.42Å | |
| CAG | CAB | sing | 1.54Å | 1.53Å | |
| OAF | CAE | sing | 1.44Å | 1.44Å | |
| CAE | CAD | sing | 1.53Å | 1.55Å | |
| CAE | CAJ | sing | 1.53Å | 1.53Å | |
| CAE | OAA | sing | 1.44Å | 1.45Å | |
| OAA | CAB | sing | 1.43Å | 1.45Å | |
| CAB | CAC | sing | 1.51Å | 1.53Å | |
| CAC | OAH | sing | 1.43Å | 1.46Å | |
| OAH | CAL | sing | 1.41Å | 1.42Å | |
| CAL | CAM | sing | 1.53Å | 1.55Å | |
| CAM | OAN | sing | 1.43Å | 1.42Å | |
| OAN | SAO | sing | 1.52Å | 1.50Å | |
| SAO | OAS | doub | 1.42Å | 1.49Å | |
| SAO | OAI | doub | 1.42Å | 1.48Å | |
| SAO | NAP | sing | 1.66Å | 1.60Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HATA | sing | 1.09Å | 1.10Å | |
| CAT | HATB | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAV | HAVA | sing | 1.09Å | 1.10Å | |
| CAV | HAVB | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAD | HADB | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAJ | HAJB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| NAP | HNAA | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | CAU | CAV | 111.3° | 109.7° |
| CAT | CAU | OAR | 108.2° | 109.6° |
| CAT | CAU | OAQ | 109.0° | 109.7° |
| CAU | CAT | HAT | 109.5° | 109.5° |
| CAU | CAT | HATA | 109.4° | 109.5° |
| CAU | CAT | HATB | 109.5° | 109.4° |
| CAV | CAU | OAR | 111.8° | 109.6° |
| CAV | CAU | OAQ | 109.8° | 109.7° |
| CAU | CAV | HAV | 109.5° | 109.5° |
| CAU | CAV | HAVA | 109.5° | 109.5° |
| CAU | CAV | HAVB | 109.5° | 109.4° |
| OAR | CAU | OAQ | 106.7° | 108.5° |
| CAU | OAR | CAL | 108.0° | 106.4° |
| CAU | OAQ | CAK | 104.4° | 104.3° |
| OAR | CAL | CAK | 105.9° | 103.9° |
| OAR | CAL | OAH | 108.4° | 113.0° |
| OAR | CAL | CAM | 109.0° | 109.2° |
| OAQ | CAK | CAG | 108.7° | 106.3° |
| OAQ | CAK | CAL | 102.9° | 100.5° |
| OAQ | CAK | HAK | 115.7° | 112.5° |
| CAG | CAK | CAL | 113.7° | 111.8° |
| CAK | CAG | OAF | 107.0° | 106.1° |
| CAK | CAG | CAB | 113.7° | 111.7° |
| CAG | CAK | HAK | 105.3° | 112.2° |
| CAK | CAG | HAG | 106.7° | 112.3° |
| CAK | CAL | OAH | 112.7° | 112.6° |
| CAK | CAL | CAM | 114.2° | 109.3° |
| CAL | CAK | HAK | 110.8° | 112.8° |
| OAF | CAG | CAB | 103.9° | 100.3° |
| CAG | OAF | CAE | 106.5° | 104.3° |
| OAF | CAG | HAG | 116.0° | 112.6° |
| CAG | CAB | OAA | 105.7° | 103.8° |
| CAG | CAB | CAC | 112.9° | 111.9° |
| CAB | CAG | HAG | 109.6° | 113.0° |
| CAG | CAB | HAB | 108.9° | 109.6° |
| OAF | CAE | CAD | 112.2° | 109.7° |
| OAF | CAE | CAJ | 108.5° | 109.6° |
| OAF | CAE | OAA | 105.4° | 108.6° |
| CAD | CAE | CAJ | 111.6° | 109.7° |
| CAD | CAE | OAA | 110.2° | 109.7° |
| CAE | CAD | HAD | 109.5° | 109.4° |
| CAE | CAD | HADA | 109.5° | 109.5° |
| CAE | CAD | HADB | 109.5° | 109.4° |
| CAJ | CAE | OAA | 108.7° | 109.6° |
| CAE | CAJ | HAJ | 109.5° | 109.5° |
| CAE | CAJ | HAJA | 109.5° | 109.5° |
| CAE | CAJ | HAJB | 109.4° | 109.5° |
| CAE | OAA | CAB | 106.8° | 106.4° |
| OAA | CAB | CAC | 106.8° | 112.8° |
| OAA | CAB | HAB | 114.8° | 109.6° |
| CAB | CAC | OAH | 109.8° | 110.1° |
| CAC | CAB | HAB | 107.8° | 109.0° |
| CAB | CAC | HAC | 109.4° | 109.4° |
| CAB | CAC | HACA | 109.3° | 109.3° |
| CAC | OAH | CAL | 115.8° | 114.9° |
| OAH | CAC | HAC | 109.3° | 109.3° |
| OAH | CAC | HACA | 109.3° | 109.4° |
| OAH | CAL | CAM | 106.5° | 108.7° |
| CAL | CAM | OAN | 112.8° | 109.5° |
| CAL | CAM | HAM | 108.4° | 109.5° |
| CAL | CAM | HAMA | 107.6° | 109.5° |
| CAM | OAN | SAO | 121.9° | 114.0° |
| OAN | CAM | HAM | 108.4° | 109.5° |
| OAN | CAM | HAMA | 107.6° | 109.5° |
| OAN | SAO | OAS | 106.5° | 106.4° |
| OAN | SAO | OAI | 104.1° | 106.4° |
| OAN | SAO | NAP | 107.0° | 107.3° |
| OAS | SAO | OAI | 115.5° | 123.2° |
| OAS | SAO | NAP | 110.2° | 106.4° |
| OAI | SAO | NAP | 112.7° | 106.4° |
| SAO | NAP | HNAP | 109.5° | 120.0° |
| SAO | NAP | HNAA | 109.4° | 120.0° |
| HAT | CAT | HATA | 109.4° | 109.5° |
| HAT | CAT | HATB | 109.5° | 109.4° |
| HATA | CAT | HATB | 109.5° | 109.5° |
| HAV | CAV | HAVA | 109.5° | 109.5° |
| HAV | CAV | HAVB | 109.4° | 109.4° |
| HAVA | CAV | HAVB | 109.5° | 109.5° |
| HAD | CAD | HADA | 109.5° | 109.5° |
| HAD | CAD | HADB | 109.4° | 109.5° |
| HADA | CAD | HADB | 109.5° | 109.5° |
| HAJ | CAJ | HAJA | 109.4° | 109.4° |
| HAJ | CAJ | HAJB | 109.5° | 109.5° |
| HAJA | CAJ | HAJB | 109.5° | 109.5° |
| HAC | CAC | HACA | 109.7° | 109.3° |
| HAM | CAM | HAMA | 112.1° | 109.5° |
| HNAP | NAP | HNAA | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | CAU | CAV | OAR | 121.1° | 120.4° |
| CAT | CAU | CAV | OAQ | 120.7° | 120.5° |
| CAT | CAU | OAR | OAQ | 117.1° | 119.8° |
| CAT | CAU | OAR | CAL | 135.5° | 119.7° |
| CAT | CAU | OAQ | CAK | 149.7° | 94.6° |
| CAU | CAT | HAT | HATA | 119.9° | 120.1° |
| CAU | CAT | HAT | HATB | 120.0° | 119.9° |
| CAU | CAT | HATA | HATB | 120.0° | 120.0° |
| CAT | CAU | CAV | HAV | 82.0° | 59.3° |
| CAT | CAU | CAV | HAVA | 38.0° | 179.3° |
| CAT | CAU | CAV | HAVB | 158.0° | 60.6° |
| CAV | CAU | OAR | OAQ | 120.0° | 119.7° |
| CAV | CAU | OAR | CAL | 101.6° | 119.8° |
| CAV | CAU | OAQ | CAK | 88.2° | 144.9° |
| CAV | CAU | CAT | HAT | 48.2° | 35.3° |
| CAV | CAU | CAT | HATA | 168.2° | 155.4° |
| CAV | CAU | CAT | HATB | 71.8° | 84.6° |
| CAU | CAV | HAV | HAVA | 120.0° | 120.0° |
| CAU | CAV | HAV | HAVB | 120.0° | 119.9° |
| CAU | CAV | HAVA | HAVB | 120.0° | 120.0° |
| OAR | CAU | OAQ | CAK | 33.1° | 25.2° |
| CAU | OAR | CAL | CAK | 3.3° | 23.7° |
| CAU | OAR | CAL | OAH | 117.9° | 146.1° |
| CAU | OAR | CAL | CAM | 126.5° | 92.8° |
| OAR | CAU | CAT | HAT | 74.9° | 85.1° |
| OAR | CAU | CAT | HATA | 45.0° | 35.0° |
| OAR | CAU | CAT | HATB | 165.1° | 155.0° |
| OAR | CAU | CAV | HAV | 39.1° | 179.7° |
| OAR | CAU | CAV | HAVA | 159.1° | 60.3° |
| OAR | CAU | CAV | HAVB | 80.9° | 59.8° |
| OAQ | CAU | OAR | CAL | 18.5° | 0.1° |
| CAU | OAQ | CAK | CAG | 154.8° | 78.7° |
| CAU | OAQ | CAK | CAL | 34.0° | 37.9° |
| OAQ | CAU | CAT | HAT | 169.5° | 155.8° |
| OAQ | CAU | CAT | HATA | 70.6° | 84.1° |
| OAQ | CAU | CAT | HATB | 49.5° | 35.9° |
| OAQ | CAU | CAV | HAV | 157.3° | 61.2° |
| OAQ | CAU | CAV | HAVA | 82.7° | 58.8° |
| OAQ | CAU | CAV | HAVB | 37.3° | 178.8° |
| CAU | OAQ | CAK | HAK | 87.0° | 158.2° |
| OAR | CAL | CAK | OAQ | 22.9° | 38.2° |
| OAR | CAL | CAK | CAG | 140.3° | 74.2° |
| OAR | CAL | CAK | OAH | 118.3° | 122.7° |
| OAR | CAL | CAK | CAM | 120.0° | 116.4° |
| OAR | CAL | OAH | CAC | 82.2° | 60.0° |
| OAR | CAL | OAH | CAM | 117.2° | 121.4° |
| OAR | CAL | CAM | OAN | 67.6° | 61.5° |
| OAR | CAL | CAK | HAK | 101.3° | 158.3° |
| OAR | CAL | CAM | HAM | 172.4° | 58.6° |
| OAR | CAL | CAM | HAMA | 51.0° | 178.6° |
| OAQ | CAK | CAG | CAL | 113.9° | 108.7° |
| OAQ | CAK | CAG | HAK | 124.5° | 123.4° |
| OAQ | CAK | CAL | HAK | 124.3° | 120.0° |
| OAQ | CAK | CAG | OAF | 178.1° | 98.2° |
| OAQ | CAK | CAG | CAB | 67.7° | 153.4° |
| OAQ | CAK | CAL | OAH | 95.4° | 160.9° |
| OAQ | CAK | CAL | CAM | 142.9° | 78.2° |
| OAQ | CAK | CAG | HAG | 53.3° | 25.3° |
| CAG | CAK | CAL | HAK | 118.4° | 127.6° |
| CAK | CAG | OAF | CAB | 120.6° | 116.4° |
| CAK | CAG | OAF | HAG | 118.9° | 123.2° |
| CAK | CAG | CAB | HAG | 119.3° | 127.8° |
| CAK | CAG | OAF | CAE | 151.3° | 78.2° |
| CAK | CAG | CAB | OAA | 131.0° | 73.5° |
| CAK | CAG | CAB | CAC | 14.6° | 48.5° |
| CAG | CAK | CAL | OAH | 21.9° | 48.5° |
| CAG | CAK | CAL | CAM | 99.8° | 169.4° |
| CAK | CAG | CAB | HAB | 105.1° | 169.5° |
| CAL | CAK | CAG | OAF | 68.0° | 153.1° |
| CAL | CAK | CAG | CAB | 46.3° | 44.7° |
| CAK | CAL | OAH | CAC | 34.7° | 57.5° |
| CAK | CAL | OAH | CAM | 126.0° | 121.2° |
| CAK | CAL | CAM | OAN | 50.6° | 174.5° |
| CAL | CAK | CAG | HAG | 167.2° | 83.4° |
| CAK | CAL | CAM | HAM | 69.4° | 54.5° |
| CAK | CAL | CAM | HAMA | 169.2° | 65.5° |
| OAF | CAG | CAB | HAG | 124.6° | 120.2° |
| CAG | OAF | CAE | CAD | 84.6° | 145.1° |
| CAG | OAF | CAE | CAJ | 151.7° | 94.4° |
| CAG | OAF | CAE | OAA | 35.4° | 25.3° |
| OAF | CAG | CAB | OAA | 15.0° | 38.6° |
| OAF | CAG | CAB | CAC | 101.4° | 160.6° |
| OAF | CAG | CAK | HAK | 53.6° | 25.2° |
| OAF | CAG | CAB | HAB | 138.9° | 78.4° |
| CAB | CAG | OAF | CAE | 30.7° | 38.2° |
| CAG | CAB | OAA | CAE | 6.1° | 24.0° |
| CAG | CAB | OAA | CAC | 120.5° | 121.4° |
| CAG | CAB | OAA | HAB | 120.0° | 117.0° |
| CAG | CAB | CAC | HAB | 120.3° | 121.4° |
| CAG | CAB | CAC | OAH | 38.4° | 54.5° |
| CAB | CAG | CAK | HAK | 167.8° | 83.2° |
| CAG | CAB | CAC | HAC | 158.4° | 174.7° |
| CAG | CAB | CAC | HACA | 81.5° | 65.7° |
| OAF | CAE | CAD | CAJ | 122.0° | 120.4° |
| OAF | CAE | CAD | OAA | 117.1° | 119.2° |
| OAF | CAE | CAJ | OAA | 114.2° | 119.1° |
| OAF | CAE | OAA | CAB | 24.9° | 0.1° |
| CAE | OAF | CAG | HAG | 89.8° | 158.6° |
| OAF | CAE | CAD | HAD | 25.7° | 60.0° |
| OAF | CAE | CAD | HADA | 94.3° | 180.0° |
| OAF | CAE | CAD | HADB | 145.7° | 59.9° |
| OAF | CAE | CAJ | HAJ | 150.7° | 34.6° |
| OAF | CAE | CAJ | HAJA | 89.4° | 154.6° |
| OAF | CAE | CAJ | HAJB | 30.7° | 85.4° |
| CAD | CAE | CAJ | OAA | 121.7° | 120.5° |
| CAD | CAE | OAA | CAB | 96.4° | 119.7° |
| CAE | CAD | HAD | HADA | 120.0° | 120.0° |
| CAE | CAD | HAD | HADB | 120.0° | 119.9° |
| CAE | CAD | HADA | HADB | 120.0° | 120.0° |
| CAD | CAE | CAJ | HAJ | 26.5° | 85.8° |
| CAD | CAE | CAJ | HAJA | 146.5° | 34.1° |
| CAD | CAE | CAJ | HAJB | 93.5° | 154.1° |
| CAJ | CAE | OAA | CAB | 141.0° | 119.8° |
| CAJ | CAE | CAD | HAD | 96.3° | 179.6° |
| CAJ | CAE | CAD | HADA | 143.7° | 59.5° |
| CAJ | CAE | CAD | HADB | 23.7° | 60.5° |
| CAE | CAJ | HAJ | HAJA | 120.0° | 120.0° |
| CAE | CAJ | HAJ | HAJB | 120.0° | 120.0° |
| CAE | CAJ | HAJA | HAJB | 120.0° | 120.0° |
| CAE | OAA | CAB | CAC | 126.5° | 145.4° |
| OAA | CAE | CAD | HAD | 142.8° | 59.2° |
| OAA | CAE | CAD | HADA | 22.8° | 60.9° |
| OAA | CAE | CAD | HADB | 97.2° | 179.1° |
| OAA | CAE | CAJ | HAJ | 95.2° | 153.7° |
| OAA | CAE | CAJ | HAJA | 24.8° | 86.3° |
| OAA | CAE | CAJ | HAJB | 144.8° | 33.7° |
| CAE | OAA | CAB | HAB | 114.0° | 93.0° |
| OAA | CAB | CAC | HAB | 123.9° | 122.0° |
| OAA | CAB | CAC | OAH | 77.3° | 62.2° |
| OAA | CAB | CAG | HAG | 109.6° | 158.8° |
| OAA | CAB | CAC | HAC | 42.7° | 58.0° |
| OAA | CAB | CAC | HACA | 162.8° | 177.7° |
| CAB | CAC | OAH | HAC | 120.0° | 120.2° |
| CAB | CAC | OAH | HACA | 119.9° | 120.2° |
| CAB | CAC | OAH | CAL | 68.0° | 60.1° |
| CAC | CAB | CAG | HAG | 133.9° | 79.3° |
| CAB | CAC | HAC | HACA | 119.9° | 119.7° |
| CAC | OAH | CAL | CAM | 160.7° | 178.7° |
| OAH | CAC | CAB | HAB | 158.8° | 175.9° |
| OAH | CAC | HAC | HACA | 119.9° | 119.6° |
| OAH | CAL | CAM | OAN | 175.7° | 62.2° |
| OAH | CAL | CAK | HAK | 140.3° | 79.1° |
| CAL | OAH | CAC | HAC | 172.0° | 179.6° |
| CAL | OAH | CAC | HACA | 51.9° | 60.1° |
| OAH | CAL | CAM | HAM | 55.7° | 177.7° |
| OAH | CAL | CAM | HAMA | 65.8° | 57.7° |
| CAL | CAM | OAN | HAM | 120.0° | 120.0° |
| CAL | CAM | OAN | HAMA | 118.6° | 120.0° |
| CAL | CAM | OAN | SAO | 174.0° | 180.0° |
| CAM | CAL | CAK | HAK | 18.6° | 41.8° |
| CAL | CAM | HAM | HAMA | 118.6° | 120.0° |
| CAM | OAN | SAO | OAS | 73.9° | 171.4° |
| CAM | OAN | SAO | OAI | 163.6° | 38.6° |
| CAM | OAN | SAO | NAP | 44.1° | 75.0° |
| OAN | CAM | HAM | HAMA | 118.6° | 120.0° |
| OAN | SAO | OAS | OAI | 115.0° | 122.9° |
| OAN | SAO | OAS | NAP | 115.8° | 114.1° |
| OAN | SAO | OAI | NAP | 115.6° | 114.2° |
| SAO | OAN | CAM | HAM | 66.0° | 60.0° |
| SAO | OAN | CAM | HAMA | 55.4° | 60.0° |
| OAN | SAO | NAP | HNAP | 19.4° | 150.0° |
| OAN | SAO | NAP | HNAA | 100.6° | 30.0° |
| OAS | SAO | OAI | NAP | 128.0° | 123.0° |
| OAS | SAO | NAP | HNAP | 134.8° | 36.5° |
| OAS | SAO | NAP | HNAA | 14.8° | 143.6° |
| OAI | SAO | NAP | HNAP | 94.5° | 96.4° |
| OAI | SAO | NAP | HNAA | 145.5° | 83.5° |
| SAO | NAP | HNAP | HNAA | 120.0° | 179.9° |
| HAT | CAT | HATA | HATB | 120.0° | 120.0° |
| HAV | CAV | HAVA | HAVB | 120.0° | 120.0° |
| HAK | CAK | CAG | HAG | 71.2° | 148.6° |
| HAG | CAG | CAB | HAB | 14.2° | 41.7° |
| HAD | CAD | HADA | HADB | 120.0° | 120.1° |
| HAJ | CAJ | HAJA | HAJB | 120.0° | 120.0° |
| HAB | CAB | CAC | HAC | 81.3° | 63.9° |
| HAB | CAB | CAC | HACA | 38.9° | 55.7° |
