689
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | CAK | sing | 1.53Å | 1.55Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN3 | sing | 1.09Å | 1.10Å | |
| CAK | CAJ | sing | 1.54Å | 1.52Å | |
| CAK | CAL | sing | 1.55Å | 1.62Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAJ | CAO | sing | 1.51Å | 1.63Å | |
| CAJ | CAI | sing | 1.54Å | 1.58Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAO | CAR | sing | 1.51Å | 1.45Å | |
| CAO | CAQ | doub | 1.29Å | 1.41Å | |
| CAR | HAR1 | sing | 1.09Å | 1.10Å | |
| CAR | HAR2 | sing | 1.09Å | 1.10Å | |
| CAR | HAR3 | sing | 1.09Å | 1.10Å | |
| CAQ | CAP | sing | 1.50Å | 1.55Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAP | CAS | sing | 1.53Å | 1.51Å | |
| CAP | CAL | sing | 1.53Å | 1.58Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAS | HAS1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS2 | sing | 1.09Å | 1.10Å | |
| CAS | HAS3 | sing | 1.09Å | 1.10Å | |
| CAL | CAT | sing | 1.53Å | 1.45Å | |
| CAL | CAM | sing | 1.52Å | 1.56Å | |
| CAT | OAU | sing | 1.43Å | 1.46Å | |
| CAT | HAT1 | sing | 1.09Å | 1.10Å | |
| CAT | HAT2 | sing | 1.09Å | 1.10Å | |
| OAU | HAU | sing | 0.97Å | 0.95Å | |
| CAM | OAH | sing | 1.42Å | 1.50Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| OAH | CAI | sing | 1.41Å | 1.42Å | |
| CAI | CAD | sing | 1.51Å | 1.52Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.36Å | Aromatic |
| CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAB | CAA | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAA | OAG | sing | 1.36Å | 1.35Å | |
| CAA | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| OAG | HAG | sing | 0.97Å | 0.95Å | |
| CAF | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAN | HAN1 | 109.4° | 109.5° |
| CAK | CAN | HAN2 | 109.4° | 109.5° |
| CAK | CAN | HAN3 | 109.5° | 109.4° |
| CAN | CAK | CAJ | 116.4° | 110.0° |
| CAN | CAK | CAL | 109.3° | 111.2° |
| CAN | CAK | HAK | 106.3° | 109.9° |
| HAN1 | CAN | HAN2 | 109.5° | 109.5° |
| HAN1 | CAN | HAN3 | 109.5° | 109.5° |
| HAN2 | CAN | HAN3 | 109.5° | 109.5° |
| CAJ | CAK | CAL | 113.7° | 106.1° |
| CAJ | CAK | HAK | 101.0° | 109.9° |
| CAK | CAJ | CAO | 107.1° | 108.3° |
| CAK | CAJ | CAI | 113.2° | 108.0° |
| CAK | CAJ | HAJ | 108.7° | 111.0° |
| CAL | CAK | HAK | 109.4° | 109.6° |
| CAK | CAL | CAP | 106.7° | 108.6° |
| CAK | CAL | CAT | 116.3° | 109.0° |
| CAK | CAL | CAM | 100.6° | 110.2° |
| CAO | CAJ | CAI | 109.9° | 107.2° |
| CAO | CAJ | HAJ | 112.1° | 111.1° |
| CAJ | CAO | CAR | 121.8° | 118.6° |
| CAJ | CAO | CAQ | 116.0° | 122.9° |
| CAI | CAJ | HAJ | 105.9° | 111.1° |
| CAJ | CAI | OAH | 105.0° | 108.7° |
| CAJ | CAI | CAD | 113.5° | 110.2° |
| CAJ | CAI | HAI | 109.8° | 108.7° |
| CAR | CAO | CAQ | 122.1° | 118.6° |
| CAO | CAR | HAR1 | 109.4° | 109.5° |
| CAO | CAR | HAR2 | 109.5° | 109.5° |
| CAO | CAR | HAR3 | 109.5° | 109.5° |
| CAO | CAQ | CAP | 128.2° | 124.8° |
| CAO | CAQ | HAQ | 115.9° | 117.5° |
| HAR1 | CAR | HAR2 | 109.5° | 109.4° |
| HAR1 | CAR | HAR3 | 109.5° | 109.5° |
| HAR2 | CAR | HAR3 | 109.5° | 109.5° |
| CAP | CAQ | HAQ | 115.9° | 117.6° |
| CAQ | CAP | CAS | 109.5° | 109.1° |
| CAQ | CAP | CAL | 114.5° | 111.2° |
| CAQ | CAP | HAP | 106.8° | 109.1° |
| CAS | CAP | CAL | 112.0° | 109.2° |
| CAS | CAP | HAP | 109.6° | 109.1° |
| CAP | CAS | HAS1 | 109.5° | 109.5° |
| CAP | CAS | HAS2 | 109.5° | 109.5° |
| CAP | CAS | HAS3 | 109.5° | 109.4° |
| CAL | CAP | HAP | 104.0° | 109.1° |
| CAP | CAL | CAT | 111.8° | 108.5° |
| CAP | CAL | CAM | 109.3° | 112.0° |
| HAS1 | CAS | HAS2 | 109.5° | 109.5° |
| HAS1 | CAS | HAS3 | 109.4° | 109.5° |
| HAS2 | CAS | HAS3 | 109.5° | 109.5° |
| CAT | CAL | CAM | 111.3° | 108.6° |
| CAL | CAT | OAU | 112.9° | 109.5° |
| CAL | CAT | HAT1 | 107.6° | 109.5° |
| CAL | CAT | HAT2 | 108.4° | 109.4° |
| CAL | CAM | OAH | 116.6° | 111.5° |
| CAL | CAM | HAM1 | 105.5° | 109.1° |
| CAL | CAM | HAM2 | 107.2° | 109.0° |
| OAU | CAT | HAT1 | 107.6° | 109.5° |
| OAU | CAT | HAT2 | 108.3° | 109.5° |
| CAT | OAU | HAU | 109.5° | 106.8° |
| HAT1 | CAT | HAT2 | 112.2° | 109.5° |
| OAH | CAM | HAM1 | 105.5° | 109.1° |
| OAH | CAM | HAM2 | 107.2° | 109.1° |
| CAM | OAH | CAI | 112.6° | 108.5° |
| HAM1 | CAM | HAM2 | 115.2° | 109.0° |
| OAH | CAI | CAD | 109.4° | 109.7° |
| OAH | CAI | HAI | 113.9° | 109.7° |
| CAD | CAI | HAI | 105.5° | 109.7° |
| CAI | CAD | CAC | 121.1° | 119.9° |
| CAI | CAD | CAE | 116.9° | 119.9° |
| CAC | CAD | CAE | 121.7° | 120.2° |
| CAD | CAC | CAB | 118.7° | 120.0° |
| CAD | CAC | HAC | 120.6° | 120.0° |
| CAD | CAE | CAF | 120.0° | 120.0° |
| CAD | CAE | HAE | 120.0° | 120.0° |
| CAB | CAC | HAC | 120.6° | 120.0° |
| CAC | CAB | CAA | 119.1° | 119.9° |
| CAC | CAB | HAB | 120.5° | 120.0° |
| CAA | CAB | HAB | 120.5° | 120.1° |
| CAB | CAA | OAG | 121.4° | 120.0° |
| CAB | CAA | CAF | 120.9° | 119.9° |
| OAG | CAA | CAF | 117.7° | 120.1° |
| CAA | OAG | HAG | 109.5° | 106.8° |
| CAA | CAF | CAE | 119.4° | 119.9° |
| CAA | CAF | HAF | 120.3° | 120.0° |
| CAE | CAF | HAF | 120.3° | 120.0° |
| CAF | CAE | HAE | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAN | HAN1 | HAN2 | 120.0° | 120.0° |
| CAK | CAN | HAN1 | HAN3 | 120.0° | 119.9° |
| CAK | CAN | HAN2 | HAN3 | 120.0° | 120.0° |
| CAN | CAK | CAJ | CAL | 128.3° | 120.4° |
| CAN | CAK | CAJ | HAK | 114.6° | 121.2° |
| CAN | CAK | CAL | HAK | 116.0° | 121.8° |
| CAN | CAK | CAJ | CAO | 64.5° | 62.5° |
| CAN | CAK | CAJ | CAI | 174.1° | 178.4° |
| CAN | CAK | CAJ | HAJ | 56.8° | 59.6° |
| CAN | CAK | CAL | CAP | 68.7° | 50.5° |
| CAN | CAK | CAL | CAT | 56.9° | 67.5° |
| CAN | CAK | CAL | CAM | 177.2° | 173.5° |
| HAN1 | CAN | HAN2 | HAN3 | 120.0° | 120.0° |
| HAN1 | CAN | CAK | CAJ | 146.0° | 60.0° |
| HAN1 | CAN | CAK | CAL | 15.5° | 177.2° |
| HAN1 | CAN | CAK | HAK | 102.4° | 61.2° |
| HAN2 | CAN | CAK | CAJ | 94.0° | 180.0° |
| HAN2 | CAN | CAK | CAL | 135.5° | 62.8° |
| HAN2 | CAN | CAK | HAK | 17.6° | 58.8° |
| HAN3 | CAN | CAK | CAJ | 26.0° | 60.0° |
| HAN3 | CAN | CAK | CAL | 104.5° | 57.2° |
| HAN3 | CAN | CAK | HAK | 137.6° | 178.8° |
| CAJ | CAK | CAL | HAK | 112.1° | 118.7° |
| CAK | CAJ | CAO | CAI | 123.4° | 116.3° |
| CAK | CAJ | CAO | HAJ | 119.2° | 122.1° |
| CAK | CAJ | CAI | HAJ | 119.0° | 121.9° |
| CAK | CAJ | CAO | CAR | 146.7° | 154.1° |
| CAK | CAJ | CAO | CAQ | 30.5° | 25.9° |
| CAJ | CAK | CAL | CAP | 63.2° | 69.0° |
| CAJ | CAK | CAL | CAT | 171.2° | 172.9° |
| CAJ | CAK | CAL | CAM | 50.9° | 53.9° |
| CAK | CAJ | CAI | OAH | 58.3° | 66.8° |
| CAK | CAJ | CAI | CAD | 177.7° | 172.9° |
| CAK | CAJ | CAI | HAI | 64.6° | 52.6° |
| CAL | CAK | CAJ | CAO | 63.8° | 57.8° |
| CAL | CAK | CAJ | CAI | 57.5° | 58.0° |
| CAL | CAK | CAJ | HAJ | 174.9° | 180.0° |
| CAK | CAL | CAP | CAQ | 27.7° | 43.9° |
| CAK | CAL | CAP | CAS | 153.2° | 164.3° |
| CAK | CAL | CAP | CAT | 128.2° | 118.3° |
| CAK | CAL | CAP | CAM | 108.0° | 121.9° |
| CAK | CAL | CAP | HAP | 88.5° | 76.5° |
| CAK | CAL | CAT | CAM | 114.4° | 120.0° |
| CAK | CAL | CAT | OAU | 62.6° | 180.0° |
| CAK | CAL | CAT | HAT1 | 56.0° | 60.0° |
| CAK | CAL | CAT | HAT2 | 177.5° | 60.1° |
| CAK | CAL | CAM | OAH | 54.7° | 57.5° |
| CAK | CAL | CAM | HAM1 | 62.0° | 178.0° |
| CAK | CAL | CAM | HAM2 | 174.7° | 63.1° |
| HAK | CAK | CAJ | CAO | 179.1° | 176.3° |
| HAK | CAK | CAJ | CAI | 59.6° | 60.5° |
| HAK | CAK | CAJ | HAJ | 57.8° | 61.5° |
| HAK | CAK | CAL | CAP | 175.3° | 172.3° |
| HAK | CAK | CAL | CAT | 59.1° | 54.3° |
| HAK | CAK | CAL | CAM | 61.2° | 64.7° |
| CAO | CAJ | CAI | HAJ | 121.2° | 121.5° |
| CAJ | CAO | CAR | CAQ | 177.0° | 180.0° |
| CAJ | CAO | CAR | HAR1 | 150.6° | 174.8° |
| CAJ | CAO | CAR | HAR2 | 30.6° | 65.2° |
| CAJ | CAO | CAR | HAR3 | 89.4° | 54.8° |
| CAJ | CAO | CAQ | CAP | 0.3° | 1.1° |
| CAJ | CAO | CAQ | HAQ | 179.7° | 178.9° |
| CAO | CAJ | CAI | OAH | 61.5° | 49.7° |
| CAO | CAJ | CAI | CAD | 57.9° | 70.5° |
| CAO | CAJ | CAI | HAI | 175.7° | 169.2° |
| CAI | CAJ | CAO | CAR | 89.9° | 89.6° |
| CAI | CAJ | CAO | CAQ | 92.9° | 90.4° |
| CAJ | CAI | OAH | CAM | 60.1° | 67.8° |
| CAJ | CAI | OAH | CAD | 122.1° | 120.6° |
| CAJ | CAI | OAH | HAI | 120.2° | 118.8° |
| CAJ | CAI | CAD | HAI | 120.2° | 119.7° |
| CAJ | CAI | CAD | CAC | 94.4° | 82.8° |
| CAJ | CAI | CAD | CAE | 80.2° | 97.4° |
| HAJ | CAJ | CAO | CAR | 27.6° | 31.9° |
| HAJ | CAJ | CAO | CAQ | 149.6° | 148.1° |
| HAJ | CAJ | CAI | OAH | 177.3° | 171.3° |
| HAJ | CAJ | CAI | CAD | 63.3° | 51.0° |
| HAJ | CAJ | CAI | HAI | 54.4° | 69.3° |
| CAO | CAR | HAR1 | HAR2 | 120.0° | 120.0° |
| CAO | CAR | HAR1 | HAR3 | 120.0° | 120.0° |
| CAO | CAR | HAR2 | HAR3 | 120.0° | 120.0° |
| CAR | CAO | CAQ | CAP | 177.5° | 178.9° |
| CAR | CAO | CAQ | HAQ | 2.5° | 1.2° |
| CAQ | CAO | CAR | HAR1 | 26.4° | 5.2° |
| CAQ | CAO | CAR | HAR2 | 146.4° | 114.8° |
| CAQ | CAO | CAR | HAR3 | 93.6° | 125.2° |
| CAO | CAQ | CAP | HAQ | 180.0° | 180.0° |
| CAO | CAQ | CAP | CAS | 126.1° | 130.9° |
| CAO | CAQ | CAP | CAL | 0.6° | 10.5° |
| CAO | CAQ | CAP | HAP | 115.3° | 110.0° |
| HAR1 | CAR | HAR2 | HAR3 | 120.0° | 120.0° |
| CAQ | CAP | CAS | CAL | 128.2° | 121.7° |
| CAQ | CAP | CAS | HAP | 116.9° | 119.1° |
| CAQ | CAP | CAL | HAP | 116.2° | 120.4° |
| CAQ | CAP | CAS | HAS1 | 161.7° | 59.1° |
| CAQ | CAP | CAS | HAS2 | 78.3° | 179.2° |
| CAQ | CAP | CAS | HAS3 | 41.7° | 60.9° |
| CAQ | CAP | CAL | CAT | 155.9° | 162.2° |
| CAQ | CAP | CAL | CAM | 80.3° | 78.0° |
| HAQ | CAQ | CAP | CAS | 53.9° | 49.0° |
| HAQ | CAQ | CAP | CAL | 179.3° | 169.5° |
| HAQ | CAQ | CAP | HAP | 64.7° | 70.0° |
| CAS | CAP | CAL | HAP | 118.3° | 119.2° |
| CAP | CAS | HAS1 | HAS2 | 120.0° | 120.0° |
| CAP | CAS | HAS1 | HAS3 | 120.0° | 119.9° |
| CAP | CAS | HAS2 | HAS3 | 120.0° | 119.9° |
| CAS | CAP | CAL | CAT | 78.6° | 77.3° |
| CAS | CAP | CAL | CAM | 45.2° | 42.5° |
| CAL | CAP | CAS | HAS1 | 33.5° | 179.2° |
| CAL | CAP | CAS | HAS2 | 153.5° | 59.1° |
| CAL | CAP | CAS | HAS3 | 86.5° | 60.8° |
| CAP | CAL | CAT | CAM | 122.7° | 121.9° |
| CAP | CAL | CAT | OAU | 174.5° | 61.9° |
| CAP | CAL | CAT | HAT1 | 66.9° | 58.1° |
| CAP | CAL | CAT | HAT2 | 54.5° | 178.1° |
| CAP | CAL | CAM | OAH | 57.3° | 63.5° |
| CAP | CAL | CAM | HAM1 | 174.0° | 57.0° |
| CAP | CAL | CAM | HAM2 | 62.7° | 176.0° |
| HAP | CAP | CAS | HAS1 | 81.5° | 60.0° |
| HAP | CAP | CAS | HAS2 | 38.5° | 60.1° |
| HAP | CAP | CAS | HAS3 | 158.5° | 180.0° |
| HAP | CAP | CAL | CAT | 39.7° | 41.8° |
| HAP | CAP | CAL | CAM | 163.5° | 161.6° |
| HAS1 | CAS | HAS2 | HAS3 | 120.0° | 120.1° |
| CAL | CAT | OAU | HAT1 | 118.5° | 120.0° |
| CAL | CAT | OAU | HAT2 | 120.0° | 120.0° |
| CAL | CAT | HAT1 | HAT2 | 119.1° | 120.0° |
| CAL | CAT | OAU | HAU | 122.0° | 180.0° |
| CAT | CAL | CAM | OAH | 178.6° | 176.7° |
| CAT | CAL | CAM | HAM1 | 61.9° | 62.7° |
| CAT | CAL | CAM | HAM2 | 61.4° | 56.2° |
| CAM | CAL | CAT | OAU | 51.8° | 60.0° |
| CAM | CAL | CAT | HAT1 | 170.4° | 180.0° |
| CAM | CAL | CAT | HAT2 | 68.1° | 59.9° |
| CAL | CAM | OAH | HAM1 | 116.7° | 120.5° |
| CAL | CAM | OAH | HAM2 | 120.0° | 120.5° |
| CAL | CAM | HAM1 | HAM2 | 118.0° | 118.9° |
| CAL | CAM | OAH | CAI | 66.8° | 63.7° |
| OAU | CAT | HAT1 | HAT2 | 119.0° | 120.0° |
| HAT1 | CAT | OAU | HAU | 3.5° | 60.1° |
| HAT2 | CAT | OAU | HAU | 118.0° | 60.0° |
| OAH | CAM | HAM1 | HAM2 | 118.0° | 119.0° |
| CAM | OAH | CAI | CAD | 177.8° | 171.6° |
| CAM | OAH | CAI | HAI | 60.1° | 51.0° |
| HAM1 | CAM | OAH | CAI | 49.9° | 175.8° |
| HAM2 | CAM | OAH | CAI | 173.2° | 56.7° |
| OAH | CAI | CAD | HAI | 122.9° | 120.6° |
| OAH | CAI | CAD | CAC | 22.5° | 157.5° |
| OAH | CAI | CAD | CAE | 162.9° | 22.3° |
| CAI | CAD | CAC | CAE | 174.4° | 179.8° |
| CAI | CAD | CAC | CAB | 177.7° | 179.7° |
| CAI | CAD | CAC | HAC | 2.3° | 0.2° |
| CAI | CAD | CAE | CAF | 178.0° | 180.0° |
| CAI | CAD | CAE | HAE | 2.0° | 0.1° |
| HAI | CAI | CAD | CAC | 145.3° | 36.9° |
| HAI | CAI | CAD | CAE | 40.0° | 142.9° |
| CAD | CAC | CAB | HAC | 180.0° | 179.6° |
| CAD | CAC | CAB | CAA | 1.8° | 0.5° |
| CAD | CAC | CAB | HAB | 178.3° | 179.7° |
| CAC | CAD | CAE | CAF | 3.3° | 0.2° |
| CAC | CAD | CAE | HAE | 176.6° | 179.7° |
| CAE | CAD | CAC | CAB | 3.3° | 0.5° |
| CAE | CAD | CAC | HAC | 176.7° | 180.0° |
| CAD | CAE | CAF | CAA | 1.8° | 0.0° |
| CAD | CAE | CAF | HAE | 180.0° | 180.0° |
| CAD | CAE | CAF | HAF | 178.2° | 180.0° |
| CAC | CAB | CAA | HAB | 180.0° | 179.8° |
| CAC | CAB | CAA | OAG | 179.7° | 179.8° |
| CAC | CAB | CAA | CAF | 0.4° | 0.2° |
| HAC | CAC | CAB | CAA | 178.2° | 180.0° |
| HAC | CAC | CAB | HAB | 1.7° | 0.2° |
| CAB | CAA | OAG | CAF | 179.9° | 180.0° |
| CAB | CAA | OAG | HAG | 179.7° | 89.9° |
| CAB | CAA | CAF | CAE | 0.4° | 0.1° |
| CAB | CAA | CAF | HAF | 179.7° | 180.0° |
| HAB | CAB | CAA | OAG | 0.2° | 0.1° |
| HAB | CAB | CAA | CAF | 179.7° | 180.0° |
| OAG | CAA | CAF | CAE | 179.7° | 180.0° |
| OAG | CAA | CAF | HAF | 0.2° | 0.1° |
| CAF | CAA | OAG | HAG | 0.4° | 90.0° |
| CAA | CAF | CAE | HAF | 180.0° | 179.9° |
| CAA | CAF | CAE | HAE | 178.1° | 180.0° |
| HAF | CAF | CAE | HAE | 1.8° | 0.1° |
