C1K
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAI | CAF | sing | 1.53Å | 1.57Å | |
CAI | CAL | sing | 1.53Å | 1.50Å | |
CAF | CAE | sing | 1.53Å | 1.55Å | |
CAE | CAG | sing | 1.53Å | 1.55Å | |
CAJ | CAG | sing | 1.53Å | 1.64Å | |
CAJ | CAL | sing | 1.53Å | 1.53Å | |
CAL | NAK | sing | 1.47Å | 1.49Å | |
NAK | CAQ | sing | 1.47Å | 1.46Å | |
CAQ | CAO | sing | 1.54Å | 1.56Å | |
CAQ | CAP | sing | 1.54Å | 1.56Å | |
CAO | OAD | sing | 1.43Å | 1.45Å | |
CAO | CAM | sing | 1.55Å | 1.53Å | |
CAM | OAB | sing | 1.43Å | 1.41Å | |
CAM | CAN | sing | 1.55Å | 1.49Å | |
CAN | OAC | sing | 1.43Å | 1.42Å | |
CAN | CAP | sing | 1.54Å | 1.48Å | |
CAP | CAH | sing | 1.53Å | 1.53Å | |
CAH | OAA | sing | 1.43Å | 1.44Å | |
CAI | HAI1 | sing | 1.09Å | 1.10Å | |
CAI | HAI2 | sing | 1.09Å | 1.10Å | |
CAF | HAF1 | sing | 1.09Å | 1.10Å | |
CAF | HAF2 | sing | 1.09Å | 1.10Å | |
CAL | HAL | sing | 1.09Å | 1.10Å | |
CAE | HAE1 | sing | 1.09Å | 1.10Å | |
CAE | HAE2 | sing | 1.09Å | 1.10Å | |
CAG | HAG1 | sing | 1.09Å | 1.10Å | |
CAG | HAG2 | sing | 1.09Å | 1.10Å | |
CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
NAK | HAK | sing | 1.01Å | 1.00Å | |
CAQ | HAQ | sing | 1.09Å | 1.10Å | |
CAO | HAO | sing | 1.09Å | 1.10Å | |
CAP | HAP | sing | 1.09Å | 1.10Å | |
OAD | HAD | sing | 0.97Å | 0.95Å | |
CAM | HAM | sing | 1.09Å | 1.10Å | |
OAB | HAB | sing | 0.97Å | 0.95Å | |
CAN | HAN | sing | 1.09Å | 1.10Å | |
OAC | HAC | sing | 0.97Å | 0.95Å | |
CAH | HAH1 | sing | 1.09Å | 1.10Å | |
CAH | HAH2 | sing | 1.09Å | 1.10Å | |
OAA | HAA | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAF | CAI | CAL | 111.3° | 109.5° |
CAI | CAF | CAE | 110.0° | 109.4° |
CAF | CAI | HAI1 | 109.0° | 109.5° |
CAF | CAI | HAI2 | 109.0° | 109.4° |
CAI | CAF | HAF1 | 109.4° | 109.5° |
CAI | CAF | HAF2 | 109.3° | 109.4° |
CAI | CAL | CAJ | 102.7° | 109.5° |
CAI | CAL | NAK | 108.5° | 109.5° |
CAL | CAI | HAI1 | 109.0° | 109.5° |
CAL | CAI | HAI2 | 109.0° | 109.5° |
CAI | CAL | HAL | 112.0° | 109.5° |
CAF | CAE | CAG | 104.5° | 109.4° |
CAE | CAF | HAF1 | 109.3° | 109.4° |
CAE | CAF | HAF2 | 109.3° | 109.5° |
CAF | CAE | HAE1 | 110.7° | 109.5° |
CAF | CAE | HAE2 | 110.7° | 109.5° |
CAE | CAG | CAJ | 106.2° | 109.5° |
CAG | CAE | HAE1 | 110.7° | 109.5° |
CAG | CAE | HAE2 | 110.7° | 109.5° |
CAE | CAG | HAG1 | 110.3° | 109.4° |
CAE | CAG | HAG2 | 110.3° | 109.5° |
CAG | CAJ | CAL | 107.5° | 109.4° |
CAJ | CAG | HAG1 | 110.3° | 109.5° |
CAJ | CAG | HAG2 | 110.3° | 109.5° |
CAG | CAJ | HAJ1 | 110.0° | 109.4° |
CAG | CAJ | HAJ2 | 109.9° | 109.5° |
CAJ | CAL | NAK | 109.3° | 109.4° |
CAJ | CAL | HAL | 111.6° | 109.5° |
CAL | CAJ | HAJ1 | 110.0° | 109.5° |
CAL | CAJ | HAJ2 | 109.9° | 109.5° |
CAL | NAK | CAQ | 124.7° | 111.0° |
NAK | CAL | HAL | 112.2° | 109.4° |
CAL | NAK | HAK | 105.5° | 111.0° |
NAK | CAQ | CAO | 107.0° | 110.0° |
NAK | CAQ | CAP | 110.1° | 110.1° |
CAQ | NAK | HAK | 105.5° | 111.0° |
NAK | CAQ | HAQ | 113.3° | 110.0° |
CAO | CAQ | CAP | 102.5° | 106.6° |
CAQ | CAO | OAD | 113.3° | 110.5° |
CAQ | CAO | CAM | 100.3° | 104.2° |
CAO | CAQ | HAQ | 111.7° | 110.0° |
CAQ | CAO | HAO | 110.4° | 110.4° |
CAQ | CAP | CAN | 103.7° | 106.6° |
CAQ | CAP | CAH | 114.1° | 110.0° |
CAP | CAQ | HAQ | 111.7° | 110.1° |
CAQ | CAP | HAP | 111.2° | 110.0° |
OAD | CAO | CAM | 109.2° | 110.5° |
OAD | CAO | HAO | 112.1° | 110.5° |
CAO | OAD | HAD | 109.5° | 114.0° |
CAO | CAM | OAB | 110.6° | 110.8° |
CAO | CAM | CAN | 100.8° | 102.8° |
CAM | CAO | HAO | 110.9° | 110.6° |
CAO | CAM | HAM | 110.7° | 110.8° |
OAB | CAM | CAN | 110.3° | 110.7° |
OAB | CAM | HAM | 112.6° | 110.7° |
CAM | OAB | HAB | 109.5° | 114.0° |
CAM | CAN | OAC | 111.4° | 110.5° |
CAM | CAN | CAP | 95.7° | 104.2° |
CAN | CAM | HAM | 111.2° | 110.9° |
CAM | CAN | HAN | 113.7° | 110.5° |
OAC | CAN | CAP | 105.1° | 110.5° |
OAC | CAN | HAN | 115.1° | 110.5° |
CAN | OAC | HAC | 109.5° | 114.0° |
CAN | CAP | CAH | 103.2° | 110.0° |
CAN | CAP | HAP | 112.4° | 110.0° |
CAP | CAN | HAN | 114.0° | 110.6° |
CAP | CAH | OAA | 104.3° | 109.5° |
CAH | CAP | HAP | 111.6° | 110.0° |
CAP | CAH | HAH1 | 110.8° | 109.5° |
CAP | CAH | HAH2 | 110.7° | 109.5° |
OAA | CAH | HAH1 | 110.7° | 109.4° |
OAA | CAH | HAH2 | 110.7° | 109.5° |
CAH | OAA | HAA | 109.5° | 114.0° |
HAI1 | CAI | HAI2 | 109.5° | 109.5° |
HAF1 | CAF | HAF2 | 109.5° | 109.5° |
HAE1 | CAE | HAE2 | 109.4° | 109.5° |
HAG1 | CAG | HAG2 | 109.5° | 109.5° |
HAJ1 | CAJ | HAJ2 | 109.5° | 109.5° |
HAH1 | CAH | HAH2 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAF | CAI | CAL | HAI1 | 120.3° | 120.0° |
CAF | CAI | CAL | HAI2 | 120.3° | 120.0° |
CAI | CAF | CAE | HAF1 | 120.1° | 120.0° |
CAI | CAF | CAE | HAF2 | 120.1° | 120.0° |
CAI | CAF | CAE | CAG | 55.5° | 60.0° |
CAF | CAI | CAL | CAJ | 4.0° | 60.0° |
CAF | CAI | CAL | NAK | 119.7° | 180.0° |
CAF | CAI | HAI1 | HAI2 | 119.1° | 120.0° |
CAI | CAF | HAF1 | HAF2 | 119.8° | 120.0° |
CAF | CAI | CAL | HAL | 115.9° | 60.0° |
CAI | CAF | CAE | HAE1 | 63.7° | 60.0° |
CAI | CAF | CAE | HAE2 | 174.8° | 180.0° |
CAL | CAI | CAF | CAE | 69.2° | 60.0° |
CAI | CAL | CAJ | CAG | 63.0° | 60.0° |
CAI | CAL | CAJ | NAK | 115.1° | 120.0° |
CAI | CAL | CAJ | HAL | 120.2° | 120.0° |
CAI | CAL | NAK | HAL | 124.3° | 120.0° |
CAI | CAL | NAK | CAQ | 121.8° | 155.0° |
CAL | CAI | HAI1 | HAI2 | 119.2° | 120.0° |
CAL | CAI | CAF | HAF1 | 170.7° | 180.0° |
CAL | CAI | CAF | HAF2 | 50.8° | 60.0° |
CAI | CAL | CAJ | HAJ1 | 177.3° | 60.0° |
CAI | CAL | CAJ | HAJ2 | 56.7° | 180.0° |
CAI | CAL | NAK | HAK | 0.3° | 31.0° |
CAF | CAE | CAG | HAE1 | 119.2° | 120.0° |
CAF | CAE | CAG | HAE2 | 119.2° | 120.0° |
CAF | CAE | CAG | CAJ | 9.5° | 60.0° |
CAE | CAF | CAI | HAI1 | 170.5° | 180.0° |
CAE | CAF | CAI | HAI2 | 51.1° | 60.0° |
CAE | CAF | HAF1 | HAF2 | 119.8° | 120.0° |
CAF | CAE | HAE1 | HAE2 | 122.2° | 120.0° |
CAF | CAE | CAG | HAG1 | 110.0° | 180.0° |
CAF | CAE | CAG | HAG2 | 129.1° | 60.0° |
CAE | CAG | CAJ | HAG1 | 119.5° | 119.9° |
CAE | CAG | CAJ | HAG2 | 119.5° | 120.1° |
CAE | CAG | CAJ | CAL | 74.9° | 60.0° |
CAG | CAE | CAF | HAF1 | 175.6° | 180.0° |
CAG | CAE | CAF | HAF2 | 64.5° | 59.9° |
CAG | CAE | HAE1 | HAE2 | 122.3° | 120.0° |
CAE | CAG | HAG1 | HAG2 | 121.5° | 120.0° |
CAE | CAG | CAJ | HAJ1 | 165.4° | 59.9° |
CAE | CAG | CAJ | HAJ2 | 44.7° | 180.0° |
CAG | CAJ | CAL | HAJ1 | 119.7° | 119.9° |
CAG | CAJ | CAL | HAJ2 | 119.7° | 120.0° |
CAG | CAJ | CAL | NAK | 52.1° | 180.0° |
CAG | CAJ | CAL | HAL | 176.9° | 60.1° |
CAJ | CAG | CAE | HAE1 | 128.8° | 59.9° |
CAJ | CAG | CAE | HAE2 | 109.7° | 180.0° |
CAJ | CAG | HAG1 | HAG2 | 121.6° | 120.0° |
CAG | CAJ | HAJ1 | HAJ2 | 120.9° | 120.0° |
CAJ | CAL | NAK | HAL | 124.4° | 119.9° |
CAJ | CAL | NAK | CAQ | 126.9° | 85.0° |
CAJ | CAL | CAI | HAI1 | 124.3° | 180.0° |
CAJ | CAL | CAI | HAI2 | 116.3° | 60.0° |
CAL | CAJ | CAG | HAG1 | 44.5° | 179.9° |
CAL | CAJ | CAG | HAG2 | 165.6° | 60.1° |
CAL | CAJ | HAJ1 | HAJ2 | 120.9° | 120.1° |
CAJ | CAL | NAK | HAK | 111.0° | 151.1° |
CAL | NAK | CAQ | HAK | 122.1° | 124.0° |
CAL | NAK | CAQ | CAO | 156.5° | 86.4° |
CAL | NAK | CAQ | CAP | 92.9° | 156.4° |
NAK | CAL | CAI | HAI1 | 120.1° | 60.0° |
NAK | CAL | CAI | HAI2 | 0.6° | 60.0° |
NAK | CAL | CAJ | HAJ1 | 67.6° | 60.1° |
NAK | CAL | CAJ | HAJ2 | 171.8° | 60.0° |
CAL | NAK | CAQ | HAQ | 33.0° | 35.0° |
NAK | CAQ | CAO | CAP | 115.9° | 119.3° |
NAK | CAQ | CAO | HAQ | 124.5° | 121.3° |
NAK | CAQ | CAP | HAQ | 126.8° | 121.4° |
NAK | CAQ | CAO | OAD | 114.1° | 98.4° |
NAK | CAQ | CAO | CAM | 129.6° | 142.9° |
NAK | CAQ | CAP | CAN | 90.8° | 119.3° |
NAK | CAQ | CAP | CAH | 20.8° | 0.0° |
CAQ | NAK | CAL | HAL | 2.6° | 35.0° |
NAK | CAQ | CAO | HAO | 12.5° | 24.1° |
NAK | CAQ | CAP | HAP | 148.1° | 121.4° |
CAO | CAQ | CAP | HAQ | 119.6° | 119.3° |
CAQ | CAO | OAD | CAM | 110.9° | 114.8° |
CAQ | CAO | OAD | HAO | 125.8° | 122.5° |
CAQ | CAO | CAM | HAO | 116.7° | 118.7° |
CAQ | CAO | CAM | OAB | 162.4° | 156.2° |
CAQ | CAO | CAM | CAN | 45.7° | 37.9° |
CAO | CAQ | CAP | CAN | 22.8° | 0.0° |
CAO | CAQ | CAP | CAH | 134.4° | 119.3° |
CAO | CAQ | NAK | HAK | 34.4° | 37.6° |
CAO | CAQ | CAP | HAP | 98.3° | 119.3° |
CAQ | CAO | OAD | HAD | 180.0° | 180.0° |
CAQ | CAO | CAM | HAM | 72.1° | 80.5° |
CAP | CAQ | CAO | OAD | 130.0° | 142.3° |
CAP | CAQ | CAO | CAM | 13.7° | 23.6° |
CAQ | CAP | CAN | CAM | 50.3° | 23.6° |
CAQ | CAP | CAN | OAC | 164.3° | 142.2° |
CAQ | CAP | CAN | CAH | 119.3° | 119.3° |
CAQ | CAP | CAN | HAP | 120.2° | 119.3° |
CAQ | CAP | CAH | HAP | 127.1° | 121.4° |
CAQ | CAP | CAH | OAA | 142.6° | 175.0° |
CAP | CAQ | NAK | HAK | 145.1° | 79.6° |
CAP | CAQ | CAO | HAO | 103.4° | 95.2° |
CAQ | CAP | CAN | HAN | 68.8° | 95.1° |
CAQ | CAP | CAH | HAH1 | 98.2° | 65.0° |
CAQ | CAP | CAH | HAH2 | 23.4° | 55.0° |
OAD | CAO | CAM | HAO | 124.0° | 122.6° |
OAD | CAO | CAM | OAB | 78.3° | 85.1° |
OAD | CAO | CAM | CAN | 165.0° | 156.6° |
OAD | CAO | CAQ | HAQ | 10.3° | 22.9° |
OAD | CAO | CAM | HAM | 47.2° | 38.2° |
CAO | CAM | OAB | CAN | 110.7° | 113.3° |
CAO | CAM | OAB | HAM | 124.4° | 123.3° |
CAO | CAM | CAN | HAM | 117.4° | 118.4° |
CAO | CAM | CAN | OAC | 168.9° | 156.6° |
CAO | CAM | CAN | CAP | 60.2° | 37.9° |
CAM | CAO | CAQ | HAQ | 105.9° | 95.7° |
CAM | CAO | OAD | HAD | 69.1° | 65.2° |
CAO | CAM | OAB | HAB | 180.0° | 180.0° |
CAO | CAM | CAN | HAN | 59.1° | 80.8° |
OAB | CAM | CAN | HAM | 125.7° | 123.3° |
OAB | CAM | CAN | OAC | 74.2° | 85.1° |
OAB | CAM | CAN | CAP | 177.1° | 156.2° |
OAB | CAM | CAO | HAO | 45.7° | 37.6° |
OAB | CAM | CAN | HAN | 57.8° | 37.5° |
CAM | CAN | OAC | CAP | 102.5° | 114.7° |
CAM | CAN | OAC | HAN | 131.3° | 122.6° |
CAM | CAN | CAP | HAN | 119.1° | 118.7° |
CAM | CAN | CAP | CAH | 169.7° | 142.9° |
CAN | CAM | CAO | HAO | 71.0° | 80.7° |
CAM | CAN | CAP | HAP | 69.9° | 95.7° |
CAN | CAM | OAB | HAB | 69.3° | 66.6° |
CAM | CAN | OAC | HAC | 180.0° | 61.5° |
OAC | CAN | CAP | HAN | 126.9° | 122.6° |
OAC | CAN | CAP | CAH | 76.3° | 98.4° |
OAC | CAN | CAP | HAP | 44.1° | 23.0° |
OAC | CAN | CAM | HAM | 51.5° | 38.2° |
CAN | CAP | CAH | HAP | 121.0° | 121.4° |
CAN | CAP | CAH | OAA | 105.5° | 67.8° |
CAN | CAP | CAQ | HAQ | 142.4° | 119.3° |
CAP | CAN | CAM | HAM | 57.2° | 80.5° |
CAP | CAN | OAC | HAC | 77.5° | 176.3° |
CAN | CAP | CAH | HAH1 | 13.7° | 52.2° |
CAN | CAP | CAH | HAH2 | 135.3° | 172.2° |
CAP | CAH | OAA | HAH1 | 119.2° | 120.0° |
CAP | CAH | OAA | HAH2 | 119.2° | 120.0° |
CAH | CAP | CAQ | HAQ | 106.0° | 121.4° |
CAH | CAP | CAN | HAN | 50.6° | 24.2° |
CAP | CAH | HAH1 | HAH2 | 122.4° | 120.0° |
CAP | CAH | OAA | HAA | 180.0° | 179.9° |
OAA | CAH | CAP | HAP | 15.5° | 53.6° |
OAA | CAH | HAH1 | HAH2 | 122.4° | 120.0° |
HAI1 | CAI | CAF | HAF1 | 50.4° | 60.0° |
HAI1 | CAI | CAF | HAF2 | 69.5° | 60.0° |
HAI1 | CAI | CAL | HAL | 4.4° | 60.0° |
HAI2 | CAI | CAF | HAF1 | 69.0° | 60.0° |
HAI2 | CAI | CAF | HAF2 | 171.1° | 180.0° |
HAI2 | CAI | CAL | HAL | 123.9° | 180.0° |
HAF1 | CAF | CAE | HAE1 | 56.4° | 60.0° |
HAF1 | CAF | CAE | HAE2 | 65.1° | 60.0° |
HAF2 | CAF | CAE | HAE1 | 176.2° | 179.9° |
HAF2 | CAF | CAE | HAE2 | 54.7° | 60.0° |
HAL | CAL | CAJ | HAJ1 | 57.2° | 180.0° |
HAL | CAL | CAJ | HAJ2 | 63.4° | 59.9° |
HAL | CAL | NAK | HAK | 124.6° | 89.0° |
HAE1 | CAE | CAG | HAG1 | 9.3° | 60.0° |
HAE1 | CAE | CAG | HAG2 | 111.7° | 180.0° |
HAE2 | CAE | CAG | HAG1 | 130.8° | 60.0° |
HAE2 | CAE | CAG | HAG2 | 9.9° | 59.9° |
HAG1 | CAG | CAJ | HAJ1 | 75.2° | 60.0° |
HAG1 | CAG | CAJ | HAJ2 | 164.2° | 60.0° |
HAG2 | CAG | CAJ | HAJ1 | 45.9° | 180.0° |
HAG2 | CAG | CAJ | HAJ2 | 74.7° | 60.0° |
HAK | NAK | CAQ | HAQ | 89.1° | 158.9° |
HAQ | CAQ | CAO | HAO | 137.0° | 145.5° |
HAQ | CAQ | CAP | HAP | 21.3° | 0.1° |
HAO | CAO | OAD | HAD | 54.2° | 57.5° |
HAO | CAO | CAM | HAM | 171.2° | 160.8° |
HAP | CAP | CAN | HAN | 171.0° | 145.6° |
HAP | CAP | CAH | HAH1 | 134.7° | 173.6° |
HAP | CAP | CAH | HAH2 | 103.7° | 66.5° |
HAM | CAM | OAB | HAB | 55.5° | 56.7° |
HAM | CAM | CAN | HAN | 176.6° | 160.7° |
HAN | CAN | OAC | HAC | 48.7° | 61.0° |
HAH1 | CAH | OAA | HAA | 60.8° | 59.9° |
HAH2 | CAH | OAA | HAA | 60.8° | 60.0° |