R6C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAP | CAQ | sing | 1.43Å | 1.41Å | |
| OAP | HAP | sing | 0.97Å | 0.95Å | |
| CAQ | CAR | sing | 1.53Å | 1.53Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.12Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.11Å | |
| CAR | CAK | sing | 1.53Å | 1.54Å | |
| CAR | NAS | sing | 1.47Å | 1.48Å | |
| CAR | HAR | sing | 1.09Å | 1.12Å | |
| CAK | CAI | sing | 1.53Å | 1.52Å | |
| CAK | HAK1 | sing | 1.09Å | 1.11Å | |
| CAK | HAK2 | sing | 1.09Å | 1.12Å | |
| CAI | HAI1 | sing | 1.09Å | 1.12Å | |
| CAI | HAI2 | sing | 1.09Å | 1.12Å | |
| CAI | HAI3 | sing | 1.09Å | 1.12Å | |
| NAS | CAT | sing | 1.39Å | 1.38Å | |
| NAS | HAS | sing | 0.97Å | 1.02Å | |
| CAT | NAU | doub | 1.32Å | 1.37Å | Aromatic |
| CAT | NAL | sing | 1.33Å | 1.37Å | Aromatic |
| NAU | CAV | sing | 1.33Å | 1.37Å | Aromatic |
| CAV | NAW | sing | 1.37Å | 1.33Å | Aromatic |
| CAV | CAN | doub | 1.41Å | 1.37Å | Aromatic |
| NAW | CAZ | sing | 1.47Å | 1.50Å | |
| NAW | CAX | sing | 1.36Å | 1.37Å | Aromatic |
| CAZ | CAY | sing | 1.53Å | 1.52Å | |
| CAZ | CBA | sing | 1.53Å | 1.51Å | |
| CAZ | HAZ | sing | 1.09Å | 1.11Å | |
| CAY | HAY1 | sing | 1.09Å | 1.11Å | |
| CAY | HAY2 | sing | 1.09Å | 1.12Å | |
| CAY | HAY3 | sing | 1.09Å | 1.11Å | |
| CBA | HBA1 | sing | 1.09Å | 1.11Å | |
| CBA | HBA2 | sing | 1.09Å | 1.12Å | |
| CBA | HBA3 | sing | 1.09Å | 1.12Å | |
| CAX | NAO | doub | 1.30Å | 1.39Å | Aromatic |
| CAX | HAX | sing | 1.08Å | 1.10Å | |
| CAN | NAO | sing | 1.36Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.40Å | 1.42Å | Aromatic |
| NAL | CAM | doub | 1.33Å | 1.37Å | Aromatic |
| CAM | OAJ | sing | 1.35Å | 1.37Å | |
| OAJ | CAD | sing | 1.43Å | 1.47Å | |
| CAD | CAE | sing | 1.51Å | 1.52Å | |
| CAD | HAD1 | sing | 1.09Å | 1.11Å | |
| CAD | HAD2 | sing | 1.09Å | 1.12Å | |
| CAE | CAG | sing | 1.38Å | 1.43Å | Aromatic |
| CAE | CAB | doub | 1.38Å | 1.43Å | Aromatic |
| CAG | CAH | doub | 1.38Å | 1.42Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.10Å | |
| CAH | CAF | sing | 1.38Å | 1.42Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.10Å | |
| CAF | CAC | doub | 1.38Å | 1.42Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.10Å | |
| CAC | CAB | sing | 1.38Å | 1.43Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.10Å | |
| CAB | HAB | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | OAP | HAP | 107.9° | 106.9° |
| OAP | CAQ | CAR | 107.9° | 109.5° |
| OAP | CAQ | HAQ1 | 112.8° | 109.4° |
| OAP | CAQ | HAQ2 | 112.8° | 109.5° |
| CAR | CAQ | HAQ1 | 112.8° | 109.5° |
| CAR | CAQ | HAQ2 | 112.8° | 109.5° |
| CAQ | CAR | CAK | 104.9° | 109.5° |
| CAQ | CAR | NAS | 101.3° | 109.4° |
| CAQ | CAR | HAR | 120.2° | 109.5° |
| HAQ1 | CAQ | HAQ2 | 97.7° | 109.4° |
| CAK | CAR | NAS | 117.1° | 109.5° |
| CAK | CAR | HAR | 105.3° | 109.5° |
| CAR | CAK | CAI | 117.7° | 109.5° |
| CAR | CAK | HAK1 | 109.3° | 109.5° |
| CAR | CAK | HAK2 | 109.3° | 109.5° |
| NAS | CAR | HAR | 108.7° | 109.4° |
| CAR | NAS | CAT | 130.3° | 120.0° |
| CAR | NAS | HAS | 105.0° | 120.0° |
| CAI | CAK | HAK1 | 109.3° | 109.5° |
| CAI | CAK | HAK2 | 109.2° | 109.4° |
| CAK | CAI | HAI1 | 109.2° | 109.4° |
| CAK | CAI | HAI2 | 117.7° | 109.5° |
| CAK | CAI | HAI3 | 109.2° | 109.5° |
| HAK1 | CAK | HAK2 | 100.8° | 109.5° |
| HAI1 | CAI | HAI2 | 109.2° | 109.5° |
| HAI1 | CAI | HAI3 | 100.8° | 109.5° |
| HAI2 | CAI | HAI3 | 109.3° | 109.5° |
| CAT | NAS | HAS | 105.0° | 120.0° |
| NAS | CAT | NAU | 119.7° | 118.9° |
| NAS | CAT | NAL | 122.9° | 118.9° |
| NAU | CAT | NAL | 117.3° | 122.3° |
| CAT | NAU | CAV | 120.1° | 120.6° |
| CAT | NAL | CAM | 123.7° | 121.1° |
| NAU | CAV | NAW | 127.2° | 134.8° |
| NAU | CAV | CAN | 123.5° | 119.1° |
| NAW | CAV | CAN | 109.3° | 106.0° |
| CAV | NAW | CAZ | 115.6° | 126.3° |
| CAV | NAW | CAX | 106.8° | 107.4° |
| CAV | CAN | NAO | 109.7° | 107.1° |
| CAV | CAN | CAM | 116.1° | 118.3° |
| CAZ | NAW | CAX | 137.5° | 126.2° |
| NAW | CAZ | CAY | 108.4° | 109.5° |
| NAW | CAZ | CBA | 108.7° | 109.5° |
| NAW | CAZ | HAZ | 113.5° | 109.4° |
| NAW | CAX | NAO | 111.3° | 110.0° |
| NAW | CAX | HAX | 123.9° | 125.0° |
| CAY | CAZ | CBA | 116.5° | 109.5° |
| CAY | CAZ | HAZ | 105.1° | 109.5° |
| CAZ | CAY | HAY1 | 112.6° | 109.5° |
| CAZ | CAY | HAY2 | 108.4° | 109.5° |
| CAZ | CAY | HAY3 | 112.6° | 109.5° |
| CBA | CAZ | HAZ | 104.8° | 109.5° |
| CAZ | CBA | HBA1 | 112.5° | 109.5° |
| CAZ | CBA | HBA2 | 108.6° | 109.5° |
| CAZ | CBA | HBA3 | 112.5° | 109.5° |
| HAY1 | CAY | HAY2 | 112.6° | 109.4° |
| HAY1 | CAY | HAY3 | 97.8° | 109.4° |
| HAY2 | CAY | HAY3 | 112.6° | 109.5° |
| HBA1 | CBA | HBA2 | 112.5° | 109.4° |
| HBA1 | CBA | HBA3 | 97.9° | 109.4° |
| HBA2 | CBA | HBA3 | 112.5° | 109.4° |
| NAO | CAX | HAX | 124.9° | 125.0° |
| CAX | NAO | CAN | 102.9° | 109.4° |
| NAO | CAN | CAM | 134.2° | 134.6° |
| CAN | CAM | NAL | 119.3° | 118.6° |
| CAN | CAM | OAJ | 119.9° | 120.7° |
| NAL | CAM | OAJ | 120.8° | 120.7° |
| CAM | OAJ | CAD | 121.6° | 106.8° |
| OAJ | CAD | CAE | 117.4° | 109.5° |
| OAJ | CAD | HAD1 | 109.3° | 109.4° |
| OAJ | CAD | HAD2 | 109.3° | 109.5° |
| CAE | CAD | HAD1 | 109.4° | 109.5° |
| CAE | CAD | HAD2 | 109.4° | 109.5° |
| CAD | CAE | CAG | 119.5° | 120.0° |
| CAD | CAE | CAB | 120.9° | 120.0° |
| HAD1 | CAD | HAD2 | 100.8° | 109.5° |
| CAG | CAE | CAB | 119.6° | 120.0° |
| CAE | CAG | CAH | 120.1° | 120.0° |
| CAE | CAG | HAG | 120.3° | 120.0° |
| CAE | CAB | CAC | 120.0° | 120.0° |
| CAE | CAB | HAB | 120.0° | 119.9° |
| CAH | CAG | HAG | 119.6° | 120.0° |
| CAG | CAH | CAF | 119.9° | 120.0° |
| CAG | CAH | HAH | 120.0° | 120.0° |
| CAF | CAH | HAH | 120.1° | 120.0° |
| CAH | CAF | CAC | 120.4° | 120.0° |
| CAH | CAF | HAF | 120.0° | 120.0° |
| CAC | CAF | HAF | 119.6° | 120.0° |
| CAF | CAC | CAB | 119.9° | 120.0° |
| CAF | CAC | HAC | 119.7° | 120.0° |
| CAB | CAC | HAC | 120.4° | 120.0° |
| CAC | CAB | HAB | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAP | CAQ | CAR | HAQ1 | 125.2° | 120.0° |
| OAP | CAQ | CAR | HAQ2 | 125.3° | 120.0° |
| OAP | CAQ | HAQ1 | HAQ2 | 118.7° | 119.9° |
| OAP | CAQ | CAR | CAK | 104.5° | 55.0° |
| OAP | CAQ | CAR | NAS | 133.2° | 65.0° |
| OAP | CAQ | CAR | HAR | 13.6° | 175.0° |
| HAP | OAP | CAQ | CAR | 180.0° | 180.0° |
| HAP | OAP | CAQ | HAQ1 | 54.8° | 60.0° |
| HAP | OAP | CAQ | HAQ2 | 54.7° | 60.0° |
| CAR | CAQ | HAQ1 | HAQ2 | 118.8° | 120.0° |
| CAQ | CAR | CAK | NAS | 111.4° | 120.0° |
| CAQ | CAR | CAK | HAR | 127.7° | 120.0° |
| CAQ | CAR | NAS | HAR | 127.5° | 120.0° |
| CAQ | CAR | CAK | CAI | 110.8° | 175.0° |
| CAQ | CAR | CAK | HAK1 | 14.5° | 65.0° |
| CAQ | CAR | CAK | HAK2 | 123.9° | 55.0° |
| CAQ | CAR | NAS | CAT | 164.1° | 85.0° |
| CAQ | CAR | NAS | HAS | 38.9° | 95.0° |
| HAQ1 | CAQ | CAR | CAK | 130.3° | 65.0° |
| HAQ1 | CAQ | CAR | NAS | 8.0° | 175.0° |
| HAQ1 | CAQ | CAR | HAR | 111.7° | 55.0° |
| HAQ2 | CAQ | CAR | CAK | 20.8° | 175.0° |
| HAQ2 | CAQ | CAR | NAS | 101.6° | 55.0° |
| HAQ2 | CAQ | CAR | HAR | 138.8° | 65.0° |
| CAK | CAR | NAS | HAR | 119.1° | 120.0° |
| CAR | CAK | CAI | HAK1 | 125.3° | 120.1° |
| CAR | CAK | CAI | HAK2 | 125.3° | 120.0° |
| CAR | CAK | HAK1 | HAK2 | 115.0° | 120.0° |
| CAR | CAK | CAI | HAI1 | 54.7° | 60.1° |
| CAR | CAK | CAI | HAI2 | 180.0° | 60.0° |
| CAR | CAK | CAI | HAI3 | 54.7° | 180.0° |
| CAK | CAR | NAS | CAT | 82.5° | 155.0° |
| CAK | CAR | NAS | HAS | 152.3° | 25.0° |
| NAS | CAR | CAK | CAI | 0.6° | 65.0° |
| NAS | CAR | CAK | HAK1 | 125.9° | 55.0° |
| NAS | CAR | CAK | HAK2 | 124.7° | 175.0° |
| CAR | NAS | CAT | HAS | 125.3° | 180.0° |
| CAR | NAS | CAT | NAU | 3.4° | 179.7° |
| CAR | NAS | CAT | NAL | 179.9° | 0.0° |
| HAR | CAR | CAK | CAI | 121.4° | 54.9° |
| HAR | CAR | CAK | HAK1 | 113.3° | 174.9° |
| HAR | CAR | CAK | HAK2 | 3.8° | 65.0° |
| HAR | CAR | NAS | CAT | 36.6° | 35.0° |
| HAR | CAR | NAS | HAS | 88.6° | 145.0° |
| CAI | CAK | HAK1 | HAK2 | 115.0° | 119.9° |
| CAK | CAI | HAI1 | HAI2 | 130.0° | 120.0° |
| CAK | CAI | HAI1 | HAI3 | 115.0° | 120.0° |
| CAK | CAI | HAI2 | HAI3 | 125.3° | 120.0° |
| HAK1 | CAK | CAI | HAI1 | 180.0° | 60.0° |
| HAK1 | CAK | CAI | HAI2 | 54.7° | 180.0° |
| HAK1 | CAK | CAI | HAI3 | 70.6° | 60.0° |
| HAK2 | CAK | CAI | HAI1 | 70.6° | 180.0° |
| HAK2 | CAK | CAI | HAI2 | 54.7° | 60.0° |
| HAK2 | CAK | CAI | HAI3 | 180.0° | 60.0° |
| HAI1 | CAI | HAI2 | HAI3 | 109.4° | 120.0° |
| NAS | CAT | NAU | NAL | 176.7° | 179.7° |
| NAS | CAT | NAU | CAV | 177.1° | 179.7° |
| NAS | CAT | NAL | CAM | 176.8° | 180.0° |
| HAS | NAS | CAT | NAU | 128.7° | 0.3° |
| HAS | NAS | CAT | NAL | 54.8° | 180.0° |
| CAT | NAU | CAV | NAW | 179.7° | 179.8° |
| CAT | NAU | CAV | CAN | 0.7° | 0.6° |
| NAU | CAT | NAL | CAM | 0.2° | 0.3° |
| NAL | CAT | NAU | CAV | 0.4° | 0.6° |
| CAT | NAL | CAM | CAN | 0.3° | 0.0° |
| CAT | NAL | CAM | OAJ | 179.8° | 180.0° |
| NAU | CAV | NAW | CAN | 179.2° | 179.6° |
| NAU | CAV | NAW | CAZ | 0.7° | 0.4° |
| NAU | CAV | NAW | CAX | 179.7° | 179.7° |
| NAU | CAV | CAN | NAO | 179.8° | 179.7° |
| NAU | CAV | CAN | CAM | 0.7° | 0.3° |
| CAV | NAW | CAZ | CAX | 179.5° | 179.9° |
| CAV | NAW | CAZ | CAY | 113.4° | 119.9° |
| CAV | NAW | CAZ | CBA | 119.1° | 120.0° |
| CAV | NAW | CAZ | HAZ | 3.0° | 0.1° |
| CAV | NAW | CAX | NAO | 0.3° | 0.0° |
| CAV | NAW | CAX | HAX | 179.7° | 180.0° |
| NAW | CAV | CAN | NAO | 0.6° | 0.0° |
| NAW | CAV | CAN | CAM | 179.9° | 180.0° |
| CAN | CAV | NAW | CAZ | 179.8° | 180.0° |
| CAN | CAV | NAW | CAX | 0.5° | 0.0° |
| CAV | CAN | NAO | CAX | 0.4° | 0.0° |
| CAV | CAN | NAO | CAM | 179.3° | 180.0° |
| CAV | CAN | CAM | NAL | 0.5° | 0.0° |
| CAV | CAN | CAM | OAJ | 179.5° | 180.0° |
| NAW | CAZ | CAY | CBA | 122.9° | 120.0° |
| NAW | CAZ | CAY | HAZ | 121.7° | 120.0° |
| NAW | CAZ | CBA | HAZ | 121.7° | 119.9° |
| NAW | CAZ | CAY | HAY1 | 54.7° | 60.0° |
| NAW | CAZ | CAY | HAY2 | 180.0° | 180.0° |
| NAW | CAZ | CAY | HAY3 | 54.7° | 60.0° |
| NAW | CAZ | CBA | HBA1 | 54.8° | 60.0° |
| NAW | CAZ | CBA | HBA2 | 180.0° | 59.9° |
| NAW | CAZ | CBA | HBA3 | 54.7° | 180.0° |
| CAZ | NAW | CAX | NAO | 179.8° | 180.0° |
| CAZ | NAW | CAX | HAX | 0.2° | 0.1° |
| CAX | NAW | CAZ | CAY | 67.2° | 60.0° |
| CAX | NAW | CAZ | CBA | 60.3° | 60.0° |
| CAX | NAW | CAZ | HAZ | 176.5° | 180.0° |
| NAW | CAX | NAO | HAX | 180.0° | 180.0° |
| NAW | CAX | NAO | CAN | 0.1° | 0.0° |
| CAY | CAZ | CBA | HAZ | 115.6° | 120.0° |
| CAZ | CAY | HAY1 | HAY2 | 122.9° | 120.0° |
| CAZ | CAY | HAY1 | HAY3 | 118.6° | 120.0° |
| CAZ | CAY | HAY2 | HAY3 | 125.3° | 120.1° |
| CAY | CAZ | CBA | HBA1 | 177.5° | 60.0° |
| CAY | CAZ | CBA | HBA2 | 57.3° | 180.0° |
| CAY | CAZ | CBA | HBA3 | 68.0° | 60.0° |
| CBA | CAZ | CAY | HAY1 | 68.1° | 60.0° |
| CBA | CAZ | CAY | HAY2 | 57.1° | 60.0° |
| CBA | CAZ | CAY | HAY3 | 177.6° | 180.0° |
| CAZ | CBA | HBA1 | HBA2 | 123.1° | 120.0° |
| CAZ | CBA | HBA1 | HBA3 | 118.4° | 120.1° |
| CAZ | CBA | HBA2 | HBA3 | 125.3° | 120.1° |
| HAZ | CAZ | CAY | HAY1 | 176.4° | NaN° |
| HAZ | CAZ | CAY | HAY2 | 58.3° | 60.0° |
| HAZ | CAZ | CAY | HAY3 | 67.0° | 60.0° |
| HAZ | CAZ | CBA | HBA1 | 66.9° | 180.0° |
| HAZ | CAZ | CBA | HBA2 | 58.3° | 60.0° |
| HAZ | CAZ | CBA | HBA3 | 176.4° | 60.0° |
| HAY1 | CAY | HAY2 | HAY3 | 109.5° | 119.9° |
| HBA1 | CBA | HBA2 | HBA3 | 109.5° | 119.9° |
| CAX | NAO | CAN | CAM | 179.7° | 180.0° |
| HAX | CAX | NAO | CAN | 179.9° | 180.0° |
| NAO | CAN | CAM | NAL | 179.8° | 180.0° |
| NAO | CAN | CAM | OAJ | 0.3° | 0.0° |
| CAN | CAM | NAL | OAJ | 179.9° | 180.0° |
| CAN | CAM | OAJ | CAD | 49.0° | 180.0° |
| NAL | CAM | OAJ | CAD | 131.0° | 0.0° |
| CAM | OAJ | CAD | CAE | 79.9° | 180.0° |
| CAM | OAJ | CAD | HAD1 | 45.4° | 60.0° |
| CAM | OAJ | CAD | HAD2 | 154.8° | 60.0° |
| OAJ | CAD | CAE | HAD1 | 125.3° | 120.0° |
| OAJ | CAD | CAE | HAD2 | 125.3° | 120.0° |
| OAJ | CAD | HAD1 | HAD2 | 115.1° | 120.0° |
| OAJ | CAD | CAE | CAG | 128.9° | 90.0° |
| OAJ | CAD | CAE | CAB | 51.2° | 90.3° |
| CAE | CAD | HAD1 | HAD2 | 115.1° | 120.0° |
| CAD | CAE | CAG | CAB | 179.8° | 179.8° |
| CAD | CAE | CAG | CAH | 180.0° | 180.0° |
| CAD | CAE | CAG | HAG | 0.0° | 0.0° |
| CAD | CAE | CAB | CAC | 179.9° | 179.8° |
| CAD | CAE | CAB | HAB | 0.1° | 0.2° |
| HAD1 | CAD | CAE | CAG | 3.7° | 30.0° |
| HAD1 | CAD | CAE | CAB | 176.5° | 149.8° |
| HAD2 | CAD | CAE | CAG | 105.8° | 150.0° |
| HAD2 | CAD | CAE | CAB | 74.0° | 29.8° |
| CAE | CAG | CAH | HAG | 180.0° | 180.0° |
| CAE | CAG | CAH | CAF | 0.2° | NaN° |
| CAE | CAG | CAH | HAH | 179.8° | 179.9° |
| CAG | CAE | CAB | CAC | 0.1° | 0.4° |
| CAG | CAE | CAB | HAB | 179.9° | 179.9° |
| CAB | CAE | CAG | CAH | 0.2° | 0.2° |
| CAB | CAE | CAG | HAG | 179.8° | 179.8° |
| CAE | CAB | CAC | CAF | 0.1° | 0.4° |
| CAE | CAB | CAC | HAB | 180.0° | 179.6° |
| CAE | CAB | CAC | HAC | 180.0° | 179.7° |
| CAG | CAH | CAF | HAH | 180.0° | 179.9° |
| CAG | CAH | CAF | CAC | 0.1° | 0.0° |
| CAG | CAH | CAF | HAF | 179.9° | 179.9° |
| HAG | CAG | CAH | CAF | 179.8° | 180.0° |
| HAG | CAG | CAH | HAH | 0.2° | 0.1° |
| CAH | CAF | CAC | HAF | 180.0° | 180.0° |
| CAH | CAF | CAC | CAB | 0.0° | 0.2° |
| CAH | CAF | CAC | HAC | 180.0° | 179.9° |
| HAH | CAH | CAF | CAC | 179.9° | 179.9° |
| HAH | CAH | CAF | HAF | 0.1° | 0.0° |
| CAF | CAC | CAB | HAC | 180.0° | 179.9° |
| CAF | CAC | CAB | HAB | 179.9° | 180.0° |
| HAF | CAF | CAC | CAB | 180.0° | 179.8° |
| HAF | CAF | CAC | HAC | 0.0° | 0.0° |
| HAC | CAC | CAB | HAB | 0.0° | 0.1° |
