17M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAB | sing | 1.53Å | 1.53Å | |
| CAR | HAR1 | sing | 1.09Å | 1.10Å | |
| CAR | HAR2 | sing | 1.09Å | 1.10Å | |
| CAR | HAR3 | sing | 1.09Å | 1.10Å | |
| CAB | CAP | sing | 1.51Å | 1.53Å | |
| CAB | CAD | sing | 1.55Å | 1.51Å | |
| CAB | CAA | sing | 1.52Å | 1.54Å | |
| CAP | CAJ | sing | 1.53Å | 1.55Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| CAJ | CAF | sing | 1.51Å | 1.55Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAF | CAG | sing | 1.41Å | 1.40Å | Aromatic |
| CAF | CAE | doub | 1.36Å | 1.39Å | Aromatic |
| CAG | CAK | doub | 1.41Å | 1.39Å | Aromatic |
| CAG | CAH | sing | 1.42Å | 1.39Å | Aromatic |
| CAK | CAN | sing | 1.36Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAN | CAO | doub | 1.40Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | OAT | sing | 1.36Å | 1.36Å | |
| CAO | CAL | sing | 1.37Å | 1.40Å | Aromatic |
| OAT | HAT | sing | 0.97Å | 0.95Å | |
| CAL | CAH | doub | 1.40Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAH | CAM | sing | 1.41Å | 1.39Å | Aromatic |
| CAM | CAI | doub | 1.36Å | 1.39Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAI | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAE | CAD | sing | 1.49Å | 1.55Å | |
| CAD | CAQ | sing | 1.53Å | 1.53Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAQ | CAC | sing | 1.55Å | 1.56Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
| CAC | CAA | sing | 1.55Å | 1.55Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAA | CAS | sing | 1.53Å | 1.51Å | |
| CAA | OAU | sing | 1.43Å | 1.43Å | |
| CAS | HAS1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS2 | sing | 1.09Å | 1.10Å | |
| CAS | HAS3 | sing | 1.09Å | 1.10Å | |
| OAU | HAU | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAR | HAR1 | 109.5° | 109.5° |
| CAB | CAR | HAR2 | 109.4° | 109.5° |
| CAB | CAR | HAR3 | 109.5° | 109.4° |
| CAR | CAB | CAP | 112.0° | 109.9° |
| CAR | CAB | CAD | 111.9° | 109.3° |
| CAR | CAB | CAA | 111.4° | 109.8° |
| HAR1 | CAR | HAR2 | 109.5° | 109.5° |
| HAR1 | CAR | HAR3 | 109.5° | 109.5° |
| HAR2 | CAR | HAR3 | 109.5° | 109.4° |
| CAP | CAB | CAD | 109.2° | 106.2° |
| CAP | CAB | CAA | 114.4° | 118.1° |
| CAB | CAP | CAJ | 112.0° | 107.5° |
| CAB | CAP | HAP1 | 108.0° | 109.5° |
| CAB | CAP | HAP2 | 108.6° | 109.9° |
| CAD | CAB | CAA | 97.2° | 103.0° |
| CAB | CAD | CAE | 114.1° | 107.8° |
| CAB | CAD | CAQ | 103.8° | 101.7° |
| CAB | CAD | HAD | 114.1° | 109.9° |
| CAB | CAA | CAC | 102.8° | 105.3° |
| CAB | CAA | CAS | 112.4° | 110.3° |
| CAB | CAA | OAU | 111.6° | 110.3° |
| CAJ | CAP | HAP1 | 108.0° | 110.0° |
| CAJ | CAP | HAP2 | 108.6° | 110.0° |
| CAP | CAJ | CAF | 115.0° | 113.2° |
| CAP | CAJ | HAJ1 | 106.4° | 108.7° |
| CAP | CAJ | HAJ2 | 107.6° | 108.7° |
| HAP1 | CAP | HAP2 | 111.5° | 110.0° |
| CAF | CAJ | HAJ1 | 106.4° | 108.7° |
| CAF | CAJ | HAJ2 | 107.7° | 108.8° |
| CAJ | CAF | CAG | 119.8° | 117.3° |
| CAJ | CAF | CAE | 122.5° | 124.2° |
| HAJ1 | CAJ | HAJ2 | 113.9° | 108.6° |
| CAG | CAF | CAE | 117.8° | 118.5° |
| CAF | CAG | CAK | 118.8° | 120.4° |
| CAF | CAG | CAH | 121.8° | 120.2° |
| CAF | CAE | CAI | 120.9° | 121.1° |
| CAF | CAE | CAD | 118.5° | 119.2° |
| CAK | CAG | CAH | 119.4° | 119.4° |
| CAG | CAK | CAN | 120.7° | 119.7° |
| CAG | CAK | HAK | 119.7° | 120.1° |
| CAG | CAH | CAL | 120.3° | 119.5° |
| CAG | CAH | CAM | 119.3° | 119.3° |
| CAN | CAK | HAK | 119.7° | 120.2° |
| CAK | CAN | CAO | 120.1° | 120.9° |
| CAK | CAN | HAN | 120.0° | 119.5° |
| CAO | CAN | HAN | 120.0° | 119.5° |
| CAN | CAO | OAT | 119.7° | 119.5° |
| CAN | CAO | CAL | 119.7° | 120.9° |
| OAT | CAO | CAL | 120.7° | 119.6° |
| CAO | OAT | HAT | 109.5° | 106.8° |
| CAO | CAL | CAH | 119.9° | 119.6° |
| CAO | CAL | HAL | 120.1° | 120.2° |
| CAH | CAL | HAL | 120.0° | 120.2° |
| CAL | CAH | CAM | 120.4° | 121.2° |
| CAH | CAM | CAI | 119.9° | 119.3° |
| CAH | CAM | HAM | 120.0° | 120.4° |
| CAI | CAM | HAM | 120.0° | 120.4° |
| CAM | CAI | CAE | 120.3° | 121.6° |
| CAM | CAI | HAI | 119.9° | 119.2° |
| CAE | CAI | HAI | 119.9° | 119.2° |
| CAI | CAE | CAD | 120.4° | 119.7° |
| CAE | CAD | CAQ | 118.6° | 117.3° |
| CAE | CAD | HAD | 97.4° | 109.9° |
| CAQ | CAD | HAD | 109.1° | 110.0° |
| CAD | CAQ | CAC | 100.4° | 102.8° |
| CAD | CAQ | HAQ1 | 114.5° | 110.7° |
| CAD | CAQ | HAQ2 | 112.6° | 110.7° |
| CAC | CAQ | HAQ1 | 114.5° | 110.7° |
| CAC | CAQ | HAQ2 | 112.6° | 110.8° |
| CAQ | CAC | CAA | 106.3° | 106.3° |
| CAQ | CAC | HAC1 | 111.2° | 110.1° |
| CAQ | CAC | HAC2 | 110.5° | 110.1° |
| HAQ1 | CAQ | HAQ2 | 102.7° | 110.8° |
| CAA | CAC | HAC1 | 111.2° | 110.0° |
| CAA | CAC | HAC2 | 110.5° | 110.1° |
| CAC | CAA | CAS | 111.8° | 110.3° |
| CAC | CAA | OAU | 109.7° | 110.3° |
| HAC1 | CAC | HAC2 | 107.1° | 110.2° |
| CAS | CAA | OAU | 108.5° | 110.3° |
| CAA | CAS | HAS1 | 109.5° | 109.5° |
| CAA | CAS | HAS2 | 109.4° | 109.5° |
| CAA | CAS | HAS3 | 109.5° | 109.5° |
| CAA | OAU | HAU | 109.5° | 106.9° |
| HAS1 | CAS | HAS2 | 109.5° | 109.5° |
| HAS1 | CAS | HAS3 | 109.5° | 109.5° |
| HAS2 | CAS | HAS3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAR | HAR1 | HAR2 | 120.0° | 120.1° |
| CAB | CAR | HAR1 | HAR3 | 120.0° | 120.0° |
| CAB | CAR | HAR2 | HAR3 | 120.0° | 120.0° |
| CAR | CAB | CAP | CAD | 124.5° | 118.2° |
| CAR | CAB | CAP | CAA | 127.9° | 127.0° |
| CAR | CAB | CAD | CAA | 116.5° | 116.7° |
| CAR | CAB | CAP | CAJ | 65.7° | 48.5° |
| CAR | CAB | CAP | HAP1 | 175.4° | 167.9° |
| CAR | CAB | CAP | HAP2 | 54.3° | 71.1° |
| CAR | CAB | CAD | CAE | 68.8° | 52.3° |
| CAR | CAB | CAD | CAQ | 61.8° | 71.6° |
| CAR | CAB | CAD | HAD | 179.6° | 172.0° |
| CAR | CAB | CAA | CAC | 72.6° | 86.5° |
| CAR | CAB | CAA | CAS | 47.7° | 32.4° |
| CAR | CAB | CAA | OAU | 169.9° | 154.5° |
| HAR1 | CAR | HAR2 | HAR3 | 120.0° | 120.0° |
| HAR1 | CAR | CAB | CAP | 128.8° | 60.7° |
| HAR1 | CAR | CAB | CAD | 108.2° | 55.6° |
| HAR1 | CAR | CAB | CAA | 0.7° | 167.8° |
| HAR2 | CAR | CAB | CAP | 111.2° | 179.3° |
| HAR2 | CAR | CAB | CAD | 11.8° | 64.5° |
| HAR2 | CAR | CAB | CAA | 119.3° | 47.8° |
| HAR3 | CAR | CAB | CAP | 8.8° | 59.3° |
| HAR3 | CAR | CAB | CAD | 131.8° | 175.5° |
| HAR3 | CAR | CAB | CAA | 120.7° | 72.2° |
| CAP | CAB | CAD | CAA | 119.0° | 124.7° |
| CAB | CAP | CAJ | HAP1 | 118.9° | 119.2° |
| CAB | CAP | CAJ | HAP2 | 120.0° | 119.5° |
| CAB | CAP | HAP1 | HAP2 | 119.3° | 120.9° |
| CAB | CAP | CAJ | CAF | 34.9° | 39.2° |
| CAB | CAP | CAJ | HAJ1 | 152.4° | 160.1° |
| CAB | CAP | CAJ | HAJ2 | 85.1° | 81.8° |
| CAP | CAB | CAD | CAE | 55.8° | 66.2° |
| CAP | CAB | CAD | CAQ | 173.6° | 169.9° |
| CAP | CAB | CAD | HAD | 55.0° | 53.4° |
| CAP | CAB | CAA | CAC | 159.1° | 146.5° |
| CAP | CAB | CAA | CAS | 80.5° | 94.6° |
| CAP | CAB | CAA | OAU | 41.7° | 27.5° |
| CAD | CAB | CAP | CAJ | 58.8° | 69.7° |
| CAD | CAB | CAP | HAP1 | 60.1° | 49.7° |
| CAD | CAB | CAP | HAP2 | 178.8° | 170.7° |
| CAB | CAD | CAE | CAF | 28.7° | 32.6° |
| CAB | CAD | CAE | CAI | 156.0° | 147.4° |
| CAB | CAD | CAE | CAQ | 122.8° | 113.9° |
| CAB | CAD | CAE | HAD | 120.6° | 119.7° |
| CAB | CAD | CAQ | HAD | 122.0° | 116.4° |
| CAB | CAD | CAQ | CAC | 42.2° | 42.0° |
| CAB | CAD | CAQ | HAQ1 | 165.3° | 160.3° |
| CAB | CAD | CAQ | HAQ2 | 77.8° | 76.3° |
| CAD | CAB | CAA | CAC | 44.3° | 29.9° |
| CAD | CAB | CAA | CAS | 164.6° | 148.8° |
| CAD | CAB | CAA | OAU | 73.2° | 89.1° |
| CAA | CAB | CAP | CAJ | 166.4° | 175.5° |
| CAA | CAB | CAP | HAP1 | 47.5° | 65.1° |
| CAA | CAB | CAP | HAP2 | 73.6° | 55.9° |
| CAA | CAB | CAD | CAE | 174.7° | 169.0° |
| CAA | CAB | CAD | CAQ | 54.7° | 45.1° |
| CAA | CAB | CAD | HAD | 63.9° | 71.3° |
| CAB | CAA | CAC | CAQ | 19.8° | 4.0° |
| CAB | CAA | CAC | CAS | 120.7° | 118.9° |
| CAB | CAA | CAC | OAU | 118.8° | 119.0° |
| CAB | CAA | CAC | HAC1 | 141.1° | 123.1° |
| CAB | CAA | CAC | HAC2 | 100.2° | 115.2° |
| CAB | CAA | CAS | OAU | 123.9° | 122.1° |
| CAB | CAA | CAS | HAS1 | 4.3° | 61.4° |
| CAB | CAA | CAS | HAS2 | 115.7° | 58.6° |
| CAB | CAA | CAS | HAS3 | 124.3° | 178.6° |
| CAB | CAA | OAU | HAU | 123.4° | 178.7° |
| CAJ | CAP | HAP1 | HAP2 | 119.3° | 121.3° |
| CAP | CAJ | CAF | HAJ1 | 117.5° | 120.9° |
| CAP | CAJ | CAF | HAJ2 | 120.0° | 121.0° |
| CAP | CAJ | HAJ1 | HAJ2 | 118.4° | 118.2° |
| CAP | CAJ | CAF | CAG | 173.4° | 175.4° |
| CAP | CAJ | CAF | CAE | 7.4° | 5.9° |
| HAP1 | CAP | CAJ | CAF | 84.0° | 80.0° |
| HAP1 | CAP | CAJ | HAJ1 | 33.5° | 40.9° |
| HAP1 | CAP | CAJ | HAJ2 | 156.0° | 159.0° |
| HAP2 | CAP | CAJ | CAF | 154.9° | 158.7° |
| HAP2 | CAP | CAJ | HAJ1 | 87.6° | 80.4° |
| HAP2 | CAP | CAJ | HAJ2 | 34.9° | 37.7° |
| CAF | CAJ | HAJ1 | HAJ2 | 118.5° | 118.2° |
| CAJ | CAF | CAG | CAE | 179.2° | 178.7° |
| CAJ | CAF | CAG | CAK | 0.2° | 2.6° |
| CAJ | CAF | CAG | CAH | 180.0° | 177.2° |
| CAJ | CAF | CAE | CAI | 179.1° | 176.9° |
| CAJ | CAF | CAE | CAD | 3.9° | 3.1° |
| HAJ1 | CAJ | CAF | CAG | 56.0° | 54.5° |
| HAJ1 | CAJ | CAF | CAE | 124.9° | 126.8° |
| HAJ2 | CAJ | CAF | CAG | 66.6° | 63.6° |
| HAJ2 | CAJ | CAF | CAE | 112.6° | 115.1° |
| CAF | CAG | CAK | CAH | 179.9° | 179.8° |
| CAF | CAG | CAK | CAN | 180.0° | 179.5° |
| CAF | CAG | CAK | HAK | 0.0° | 0.5° |
| CAF | CAG | CAH | CAL | 179.7° | 179.4° |
| CAF | CAG | CAH | CAM | 0.0° | 0.4° |
| CAG | CAF | CAE | CAI | 1.8° | 1.7° |
| CAG | CAF | CAE | CAD | 177.0° | 178.3° |
| CAE | CAF | CAG | CAK | 179.0° | 178.7° |
| CAE | CAF | CAG | CAH | 0.8° | 1.5° |
| CAF | CAE | CAI | CAM | 1.8° | 0.8° |
| CAF | CAE | CAI | CAD | 175.1° | 180.0° |
| CAF | CAE | CAI | HAI | 178.2° | 179.3° |
| CAF | CAE | CAD | CAQ | 151.6° | 146.4° |
| CAF | CAE | CAD | HAD | 91.9° | 87.1° |
| CAG | CAK | CAN | HAK | 180.0° | 180.0° |
| CAG | CAK | CAN | CAO | 0.4° | 0.1° |
| CAG | CAK | CAN | HAN | 179.6° | 180.0° |
| CAK | CAG | CAH | CAL | 0.1° | 0.3° |
| CAK | CAG | CAH | CAM | 179.9° | 179.8° |
| CAH | CAG | CAK | CAN | 0.2° | 0.3° |
| CAH | CAG | CAK | HAK | 179.8° | 179.7° |
| CAG | CAH | CAL | CAO | 0.2° | 0.2° |
| CAG | CAH | CAL | CAM | 179.8° | 179.9° |
| CAG | CAH | CAL | HAL | 179.7° | 179.8° |
| CAG | CAH | CAM | CAI | 0.0° | 0.5° |
| CAG | CAH | CAM | HAM | 180.0° | 179.5° |
| CAK | CAN | CAO | HAN | 180.0° | 179.9° |
| CAK | CAN | CAO | OAT | 180.0° | 180.0° |
| CAK | CAN | CAO | CAL | 0.2° | 0.0° |
| HAK | CAK | CAN | CAO | 179.7° | 179.9° |
| HAK | CAK | CAN | HAN | 0.3° | 0.0° |
| CAN | CAO | OAT | CAL | 179.8° | 180.0° |
| CAN | CAO | OAT | HAT | 18.0° | 90.0° |
| CAN | CAO | CAL | CAH | 0.1° | 0.1° |
| CAN | CAO | CAL | HAL | 179.9° | 180.0° |
| HAN | CAN | CAO | OAT | 0.0° | 0.1° |
| HAN | CAN | CAO | CAL | 179.8° | 179.9° |
| OAT | CAO | CAL | CAH | 179.7° | 180.0° |
| OAT | CAO | CAL | HAL | 0.3° | 0.0° |
| CAL | CAO | OAT | HAT | 161.8° | 90.0° |
| CAO | CAL | CAH | HAL | 180.0° | 180.0° |
| CAO | CAL | CAH | CAM | 180.0° | 179.9° |
| CAL | CAH | CAM | CAI | 179.8° | 179.6° |
| CAL | CAH | CAM | HAM | 0.2° | 0.4° |
| HAL | CAL | CAH | CAM | 0.0° | 0.1° |
| CAH | CAM | CAI | HAM | 180.0° | 180.0° |
| CAH | CAM | CAI | CAE | 0.9° | 0.3° |
| CAH | CAM | CAI | HAI | 179.1° | 179.6° |
| CAM | CAI | CAE | HAI | 180.0° | 179.9° |
| CAM | CAI | CAE | CAD | 177.0° | 179.2° |
| HAM | CAM | CAI | CAE | 179.1° | 179.7° |
| HAM | CAM | CAI | HAI | 0.9° | 0.4° |
| CAI | CAE | CAD | CAQ | 33.2° | 33.6° |
| CAI | CAE | CAD | HAD | 83.4° | 92.9° |
| HAI | CAI | CAE | CAD | 3.0° | 0.7° |
| CAE | CAD | CAQ | HAD | 110.2° | 126.4° |
| CAE | CAD | CAQ | CAC | 170.1° | 159.2° |
| CAE | CAD | CAQ | HAQ1 | 66.8° | 82.5° |
| CAE | CAD | CAQ | HAQ2 | 50.1° | 40.9° |
| CAD | CAQ | CAC | HAQ1 | 123.1° | 118.3° |
| CAD | CAQ | CAC | HAQ2 | 120.0° | 118.3° |
| CAD | CAQ | HAQ1 | HAQ2 | 122.4° | 123.3° |
| CAD | CAQ | CAC | CAA | 12.7° | 23.9° |
| CAD | CAQ | CAC | HAC1 | 108.5° | 95.2° |
| CAD | CAQ | CAC | HAC2 | 132.7° | 143.1° |
| HAD | CAD | CAQ | CAC | 79.7° | 74.4° |
| HAD | CAD | CAQ | HAQ1 | 43.4° | 43.9° |
| HAD | CAD | CAQ | HAQ2 | 160.3° | 167.3° |
| CAC | CAQ | HAQ1 | HAQ2 | 122.4° | 123.4° |
| CAQ | CAC | CAA | HAC1 | 121.2° | 119.2° |
| CAQ | CAC | CAA | HAC2 | 120.0° | 119.2° |
| CAQ | CAC | HAC1 | HAC2 | 120.8° | 121.6° |
| CAQ | CAC | CAA | CAS | 140.6° | 122.9° |
| CAQ | CAC | CAA | OAU | 99.0° | 115.1° |
| HAQ1 | CAQ | CAC | CAA | 135.8° | 142.2° |
| HAQ1 | CAQ | CAC | HAC1 | 14.6° | 23.1° |
| HAQ1 | CAQ | CAC | HAC2 | 104.2° | 98.6° |
| HAQ2 | CAQ | CAC | CAA | 107.3° | 94.4° |
| HAQ2 | CAQ | CAC | HAC1 | 131.5° | 146.4° |
| HAQ2 | CAQ | CAC | HAC2 | 12.7° | 24.8° |
| CAA | CAC | HAC1 | HAC2 | 120.9° | 121.6° |
| CAC | CAA | CAS | OAU | 121.1° | 122.0° |
| CAC | CAA | CAS | HAS1 | 110.7° | 177.2° |
| CAC | CAA | CAS | HAS2 | 129.3° | 57.2° |
| CAC | CAA | CAS | HAS3 | 9.3° | 62.8° |
| CAC | CAA | OAU | HAU | 10.2° | 62.8° |
| HAC1 | CAC | CAA | CAS | 98.2° | 117.9° |
| HAC1 | CAC | CAA | OAU | 22.2° | 4.1° |
| HAC2 | CAC | CAA | CAS | 20.6° | 3.7° |
| HAC2 | CAC | CAA | OAU | 141.0° | 125.7° |
| CAA | CAS | HAS1 | HAS2 | 120.0° | 120.0° |
| CAA | CAS | HAS1 | HAS3 | 120.0° | 120.0° |
| CAA | CAS | HAS2 | HAS3 | 120.0° | 120.0° |
| CAS | CAA | OAU | HAU | 112.2° | 59.2° |
| OAU | CAA | CAS | HAS1 | 128.2° | 60.7° |
| OAU | CAA | CAS | HAS2 | 8.3° | 179.3° |
| OAU | CAA | CAS | HAS3 | 111.8° | 59.3° |
| HAS1 | CAS | HAS2 | HAS3 | 120.0° | 120.0° |
