CCL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAR | sing | 1.54Å | 1.53Å | |
| CAK | CAG | sing | 1.54Å | 1.54Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAG | CAH | sing | 1.55Å | 1.53Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAH | CAL | sing | 1.55Å | 1.52Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAL | CAR | sing | 1.54Å | 1.54Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAR | OAN | sing | 1.45Å | 1.45Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| OAN | CAP | sing | 1.35Å | 1.38Å | |
| CAP | OAC | doub | 1.22Å | 1.24Å | |
| CAP | NAM | sing | 1.35Å | 1.33Å | |
| NAM | CAI | sing | 1.46Å | 1.47Å | |
| NAM | HNAM | sing | 0.97Å | 1.00Å | |
| CAI | CAE | sing | 1.53Å | 1.53Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAE | CAF | sing | 1.53Å | 1.53Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| CAF | CB | sing | 1.53Å | 1.54Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | CAK | CAG | 106.7° | 106.6° |
| CAR | CAK | HAK1 | 110.4° | 110.0° |
| CAR | CAK | HAK2 | 111.0° | 110.1° |
| CAK | CAR | CAL | 106.3° | 106.6° |
| CAK | CAR | OAN | 106.5° | 110.0° |
| CAK | CAR | HAR | 114.3° | 110.0° |
| CAG | CAK | HAK1 | 110.4° | 110.1° |
| CAG | CAK | HAK2 | 111.0° | 110.0° |
| CAK | CAG | CAH | 106.5° | 104.2° |
| CAK | CAG | HAG1 | 110.5° | 110.5° |
| CAK | CAG | HAG2 | 111.1° | 110.5° |
| HAK1 | CAK | HAK2 | 107.3° | 110.0° |
| CAH | CAG | HAG1 | 110.5° | 110.5° |
| CAH | CAG | HAG2 | 111.1° | 110.5° |
| CAG | CAH | CAL | 104.8° | 102.7° |
| CAG | CAH | HAH1 | 111.1° | 110.7° |
| CAG | CAH | HAH2 | 112.1° | 110.7° |
| HAG1 | CAG | HAG2 | 107.2° | 110.5° |
| CAL | CAH | HAH1 | 111.0° | 110.8° |
| CAL | CAH | HAH2 | 112.1° | 110.8° |
| CAH | CAL | CAR | 105.0° | 104.2° |
| CAH | CAL | HAL1 | 111.0° | 110.4° |
| CAH | CAL | HAL2 | 112.0° | 110.5° |
| HAH1 | CAH | HAH2 | 105.9° | 110.9° |
| CAR | CAL | HAL1 | 111.0° | 110.5° |
| CAR | CAL | HAL2 | 111.9° | 110.5° |
| CAL | CAR | OAN | 112.0° | 110.0° |
| CAL | CAR | HAR | 109.0° | 110.0° |
| HAL1 | CAL | HAL2 | 106.1° | 110.6° |
| OAN | CAR | HAR | 108.9° | 110.1° |
| CAR | OAN | CAP | 111.3° | 117.0° |
| OAN | CAP | OAC | 120.1° | 120.0° |
| OAN | CAP | NAM | 116.8° | 120.0° |
| OAC | CAP | NAM | 123.1° | 120.0° |
| CAP | NAM | CAI | 123.9° | 120.0° |
| CAP | NAM | HNAM | 118.0° | 120.0° |
| CAI | NAM | HNAM | 118.1° | 120.0° |
| NAM | CAI | CAE | 107.2° | 109.4° |
| NAM | CAI | HAI1 | 110.2° | 109.5° |
| NAM | CAI | HAI2 | 110.7° | 109.5° |
| CAE | CAI | HAI1 | 110.2° | 109.5° |
| CAE | CAI | HAI2 | 110.7° | 109.4° |
| CAI | CAE | CAF | 111.7° | 109.5° |
| CAI | CAE | HAE1 | 108.8° | 109.5° |
| CAI | CAE | HAE2 | 108.3° | 109.5° |
| HAI1 | CAI | HAI2 | 107.7° | 109.5° |
| CAF | CAE | HAE1 | 108.7° | 109.5° |
| CAF | CAE | HAE2 | 108.2° | 109.4° |
| CAE | CAF | CB | 112.0° | 109.5° |
| CAE | CAF | HAF1 | 108.6° | 109.5° |
| CAE | CAF | HAF2 | 108.1° | 109.4° |
| HAE1 | CAE | HAE2 | 111.2° | 109.5° |
| CB | CAF | HAF1 | 108.6° | 109.5° |
| CB | CAF | HAF2 | 108.0° | 109.5° |
| CAF | CB | CA | 112.6° | 109.4° |
| CAF | CB | HB1 | 108.5° | 109.5° |
| CAF | CB | HB2 | 107.7° | 109.5° |
| HAF1 | CAF | HAF2 | 111.5° | 109.5° |
| CA | CB | HB1 | 108.4° | 109.4° |
| CA | CB | HB2 | 107.7° | 109.4° |
| CB | CA | N | 110.5° | 109.5° |
| CB | CA | C | 112.7° | 109.5° |
| CB | CA | HA | 106.3° | 109.5° |
| HB1 | CB | HB2 | 111.9° | 109.5° |
| N | CA | C | 108.8° | 109.5° |
| N | CA | HA | 110.4° | 109.5° |
| CA | N | HN1 | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.0° |
| C | CA | HA | 108.1° | 109.5° |
| CA | C | OXT | 118.4° | 120.0° |
| CA | C | O | 116.3° | 120.0° |
| OXT | C | O | 125.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HN1 | N | HN2 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | CAK | CAG | HAK1 | 120.0° | 119.3° |
| CAR | CAK | CAG | HAK2 | 121.1° | 119.3° |
| CAR | CAK | HAK1 | HAK2 | 121.2° | 121.4° |
| CAR | CAK | CAG | CAH | 13.3° | 23.6° |
| CAR | CAK | CAG | HAG1 | 133.3° | 95.1° |
| CAR | CAK | CAG | HAG2 | 107.9° | 142.3° |
| CAK | CAR | CAL | CAH | 25.1° | 23.6° |
| CAK | CAR | CAL | OAN | 115.9° | 119.3° |
| CAK | CAR | CAL | HAR | 123.6° | 119.3° |
| CAK | CAR | CAL | HAL1 | 145.1° | 95.0° |
| CAK | CAR | CAL | HAL2 | 96.6° | 142.3° |
| CAK | CAR | OAN | HAR | 123.6° | 121.4° |
| CAK | CAR | OAN | CAP | 98.1° | 150.0° |
| CAG | CAK | HAK1 | HAK2 | 121.1° | 121.4° |
| CAK | CAG | CAH | HAG1 | 120.0° | 118.7° |
| CAK | CAG | CAH | HAG2 | 121.2° | 118.7° |
| CAK | CAG | HAG1 | HAG2 | 121.2° | 122.6° |
| CAK | CAG | CAH | CAL | 28.9° | 38.0° |
| CAK | CAG | CAH | HAH1 | 91.1° | 156.3° |
| CAK | CAG | CAH | HAH2 | 150.6° | 80.3° |
| CAG | CAK | CAR | CAL | 7.3° | 0.0° |
| CAG | CAK | CAR | OAN | 112.3° | 119.3° |
| CAG | CAK | CAR | HAR | 127.5° | 119.3° |
| HAK1 | CAK | CAG | CAH | 106.8° | 95.7° |
| HAK1 | CAK | CAG | HAG1 | 13.2° | 145.6° |
| HAK1 | CAK | CAG | HAG2 | 132.1° | 23.0° |
| HAK1 | CAK | CAR | CAL | 127.3° | 119.3° |
| HAK1 | CAK | CAR | OAN | 7.8° | 121.4° |
| HAK1 | CAK | CAR | HAR | 112.4° | 0.0° |
| HAK2 | CAK | CAG | CAH | 134.4° | 142.9° |
| HAK2 | CAK | CAG | HAG1 | 105.6° | 24.2° |
| HAK2 | CAK | CAG | HAG2 | 13.2° | 98.4° |
| HAK2 | CAK | CAR | CAL | 113.8° | 119.3° |
| HAK2 | CAK | CAR | OAN | 126.7° | 0.0° |
| HAK2 | CAK | CAR | HAR | 6.5° | 121.4° |
| CAH | CAG | HAG1 | HAG2 | 121.2° | 122.6° |
| CAG | CAH | CAL | HAH1 | 120.0° | 118.3° |
| CAG | CAH | CAL | HAH2 | 121.8° | 118.3° |
| CAG | CAH | HAH1 | HAH2 | 121.9° | 123.3° |
| CAG | CAH | CAL | CAR | 33.2° | 38.0° |
| CAG | CAH | CAL | HAL1 | 153.2° | 80.7° |
| CAG | CAH | CAL | HAL2 | 88.5° | 156.6° |
| HAG1 | CAG | CAH | CAL | 148.9° | 80.7° |
| HAG1 | CAG | CAH | HAH1 | 28.9° | 37.6° |
| HAG1 | CAG | CAH | HAH2 | 89.4° | 161.0° |
| HAG2 | CAG | CAH | CAL | 92.3° | 156.6° |
| HAG2 | CAG | CAH | HAH1 | 147.8° | 85.1° |
| HAG2 | CAG | CAH | HAH2 | 29.5° | 38.3° |
| CAL | CAH | HAH1 | HAH2 | 121.9° | 123.4° |
| CAH | CAL | CAR | HAL1 | 120.0° | 118.6° |
| CAH | CAL | CAR | HAL2 | 121.7° | 118.6° |
| CAH | CAL | HAL1 | HAL2 | 121.9° | 122.6° |
| CAH | CAL | CAR | OAN | 90.8° | 142.9° |
| CAH | CAL | CAR | HAR | 148.7° | 95.7° |
| HAH1 | CAH | CAL | CAR | 86.8° | 156.3° |
| HAH1 | CAH | CAL | HAL1 | 33.2° | 37.6° |
| HAH1 | CAH | CAL | HAL2 | 151.5° | 85.1° |
| HAH2 | CAH | CAL | CAR | 155.0° | 80.3° |
| HAH2 | CAH | CAL | HAL1 | 85.0° | 161.0° |
| HAH2 | CAH | CAL | HAL2 | 33.3° | 38.4° |
| CAR | CAL | HAL1 | HAL2 | 121.8° | 122.7° |
| CAL | CAR | OAN | HAR | 120.6° | 121.4° |
| CAL | CAR | OAN | CAP | 146.1° | 92.8° |
| HAL1 | CAL | CAR | OAN | 29.2° | 24.3° |
| HAL1 | CAL | CAR | HAR | 91.3° | 145.7° |
| HAL2 | CAL | CAR | OAN | 147.5° | 98.5° |
| HAL2 | CAL | CAR | HAR | 27.0° | 23.0° |
| CAR | OAN | CAP | OAC | 11.6° | 0.1° |
| CAR | OAN | CAP | NAM | 168.1° | 180.0° |
| HAR | CAR | OAN | CAP | 25.5° | 28.6° |
| OAN | CAP | OAC | NAM | 179.6° | 179.9° |
| OAN | CAP | NAM | CAI | 179.6° | 180.0° |
| OAN | CAP | NAM | HNAM | 0.4° | 0.0° |
| OAC | CAP | NAM | CAI | 0.7° | 0.1° |
| OAC | CAP | NAM | HNAM | 179.3° | 180.0° |
| CAP | NAM | CAI | HNAM | 180.0° | 180.0° |
| CAP | NAM | CAI | CAE | 88.2° | 180.0° |
| CAP | NAM | CAI | HAI1 | 151.8° | 60.0° |
| CAP | NAM | CAI | HAI2 | 32.7° | 60.1° |
| NAM | CAI | CAE | HAI1 | 120.0° | 120.0° |
| NAM | CAI | CAE | HAI2 | 120.9° | 120.0° |
| NAM | CAI | HAI1 | HAI2 | 120.9° | 120.1° |
| NAM | CAI | CAE | CAF | 80.4° | 180.0° |
| NAM | CAI | CAE | HAE1 | 159.6° | 60.0° |
| NAM | CAI | CAE | HAE2 | 38.6° | 60.0° |
| HNAM | NAM | CAI | CAE | 91.8° | 0.0° |
| HNAM | NAM | CAI | HAI1 | 28.2° | 120.0° |
| HNAM | NAM | CAI | HAI2 | 147.4° | 120.0° |
| CAE | CAI | HAI1 | HAI2 | 120.9° | 120.0° |
| CAI | CAE | CAF | HAE1 | 120.0° | 120.1° |
| CAI | CAE | CAF | HAE2 | 119.1° | 120.0° |
| CAI | CAE | HAE1 | HAE2 | 119.1° | 120.0° |
| CAI | CAE | CAF | CB | 167.4° | 180.0° |
| CAI | CAE | CAF | HAF1 | 47.5° | 59.9° |
| CAI | CAE | CAF | HAF2 | 73.7° | 60.0° |
| HAI1 | CAI | CAE | CAF | 39.6° | 60.0° |
| HAI1 | CAI | CAE | HAE1 | 80.4° | 180.0° |
| HAI1 | CAI | CAE | HAE2 | 158.6° | 60.0° |
| HAI2 | CAI | CAE | CAF | 158.7° | 60.1° |
| HAI2 | CAI | CAE | HAE1 | 38.7° | 60.0° |
| HAI2 | CAI | CAE | HAE2 | 82.2° | 180.0° |
| CAF | CAE | HAE1 | HAE2 | 119.1° | 119.9° |
| CAE | CAF | CB | HAF1 | 120.0° | 120.0° |
| CAE | CAF | CB | HAF2 | 118.9° | 119.9° |
| CAE | CAF | HAF1 | HAF2 | 119.0° | 119.9° |
| CAE | CAF | CB | CA | 145.6° | 180.0° |
| CAE | CAF | CB | HB1 | 94.4° | 60.0° |
| CAE | CAF | CB | HB2 | 26.9° | 60.1° |
| HAE1 | CAE | CAF | CB | 72.6° | 59.9° |
| HAE1 | CAE | CAF | HAF1 | 167.5° | 180.0° |
| HAE1 | CAE | CAF | HAF2 | 46.4° | 60.0° |
| HAE2 | CAE | CAF | CB | 48.4° | 60.0° |
| HAE2 | CAE | CAF | HAF1 | 71.6° | 60.1° |
| HAE2 | CAE | CAF | HAF2 | 167.3° | 180.0° |
| CB | CAF | HAF1 | HAF2 | 118.9° | 120.1° |
| CAF | CB | CA | HB1 | 120.0° | 120.0° |
| CAF | CB | CA | HB2 | 118.7° | 120.0° |
| CAF | CB | HB1 | HB2 | 118.7° | 120.1° |
| CAF | CB | CA | N | 68.5° | 65.0° |
| CAF | CB | CA | C | 53.5° | 175.0° |
| CAF | CB | CA | HA | 171.7° | 55.0° |
| HAF1 | CAF | CB | CA | 25.6° | 60.0° |
| HAF1 | CAF | CB | HB1 | 145.6° | 180.0° |
| HAF1 | CAF | CB | HB2 | 93.1° | 60.0° |
| HAF2 | CAF | CB | CA | 95.5° | 60.1° |
| HAF2 | CAF | CB | HB1 | 24.5° | 59.9° |
| HAF2 | CAF | CB | HB2 | 145.9° | 180.0° |
| CA | CB | HB1 | HB2 | 118.7° | 120.0° |
| CB | CA | N | C | 124.2° | 120.0° |
| CB | CA | N | HA | 117.3° | 120.0° |
| CB | CA | C | HA | 117.2° | 120.0° |
| CB | CA | C | OXT | 21.8° | 80.0° |
| CB | CA | C | O | 158.3° | 100.0° |
| CB | CA | N | HN1 | 172.1° | 64.0° |
| CB | CA | N | HN2 | 67.9° | 60.0° |
| HB1 | CB | CA | N | 171.5° | 55.0° |
| HB1 | CB | CA | C | 66.6° | 65.0° |
| HB1 | CB | CA | HA | 51.7° | 175.0° |
| HB2 | CB | CA | N | 50.1° | 175.0° |
| HB2 | CB | CA | C | 172.1° | 55.0° |
| HB2 | CB | CA | HA | 69.7° | 65.0° |
| N | CA | C | HA | 119.9° | 120.0° |
| N | CA | C | OXT | 144.7° | 160.0° |
| N | CA | C | O | 35.5° | 20.0° |
| CA | N | HN1 | HN2 | 120.0° | 123.9° |
| CA | C | OXT | O | 179.8° | 180.0° |
| CA | C | OXT | HXT | 179.8° | 180.0° |
| C | CA | N | HN1 | 47.9° | 176.0° |
| C | CA | N | HN2 | 167.9° | 60.0° |
| HA | CA | C | OXT | 95.4° | 40.0° |
| HA | CA | C | O | 84.5° | 140.0° |
| HA | CA | N | HN1 | 70.5° | 56.0° |
| HA | CA | N | HN2 | 49.5° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
