RRC
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 | 0.99Å | |
| CAQ | CAR | sing | 1.53Å | 1.53Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
| CAR | CAK | sing | 1.53Å | 1.53Å | |
| CAR | NAS | sing | 1.46Å | 1.46Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAK | CAI | sing | 1.53Å | 1.51Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI3 | sing | 1.09Å | 1.10Å | |
| NAS | CAT | sing | 1.39Å | 1.36Å | |
| NAS | HAS | sing | 0.97Å | 0.99Å | |
| CAT | NAU | doub | 1.32Å | 1.36Å | Aromatic |
| CAT | NAL | sing | 1.33Å | 1.35Å | Aromatic |
| NAU | CAV | sing | 1.33Å | 1.34Å | Aromatic |
| CAV | NAW | sing | 1.37Å | 1.31Å | Aromatic |
| CAV | CAN | doub | 1.40Å | 1.35Å | Aromatic |
| NAW | CAZ | sing | 1.47Å | 1.47Å | |
| NAW | CAX | sing | 1.36Å | 1.36Å | Aromatic |
| CAZ | CAY | sing | 1.53Å | 1.53Å | |
| CAZ | CBA | sing | 1.53Å | 1.51Å | |
| CAZ | HAZ | sing | 1.09Å | 1.10Å | |
| CAY | HAY1 | sing | 1.09Å | 1.10Å | |
| CAY | HAY2 | sing | 1.09Å | 1.10Å | |
| CAY | HAY3 | sing | 1.09Å | 1.10Å | |
| CBA | HBA1 | sing | 1.09Å | 1.10Å | |
| CBA | HBA2 | sing | 1.09Å | 1.10Å | |
| CBA | HBA3 | sing | 1.09Å | 1.10Å | |
| CAX | NAO | doub | 1.30Å | 1.38Å | Aromatic |
| CAX | HAX | sing | 1.08Å | 1.06Å | |
| CAN | NAO | sing | 1.36Å | 1.40Å | Aromatic |
| CAN | CAM | sing | 1.41Å | 1.38Å | Aromatic |
| NAL | CAM | doub | 1.33Å | 1.34Å | Aromatic |
| CAM | NAJ | sing | 1.38Å | 1.34Å | |
| NAJ | CAD | sing | 1.46Å | 1.46Å | |
| NAJ | HAJ | sing | 0.97Å | 1.00Å | |
| CAD | CAE | sing | 1.51Å | 1.51Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAE | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.06Å | |
| CAH | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.06Å | |
| CAF | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.06Å | |
| CAC | CAB | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.06Å | |
| CAB | HAB | sing | 1.08Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | OAP | HAP | 109.5° | 106.8° |
| OAP | CAQ | CAR | 107.2° | 109.4° |
| OAP | CAQ | HAQ1 | 110.0° | 109.4° |
| OAP | CAQ | HAQ2 | 110.8° | 109.5° |
| CAR | CAQ | HAQ1 | 110.0° | 109.5° |
| CAR | CAQ | HAQ2 | 110.8° | 109.5° |
| CAQ | CAR | CAK | 107.4° | 109.5° |
| CAQ | CAR | NAS | 103.1° | 109.5° |
| CAQ | CAR | HAR | 116.4° | 109.5° |
| HAQ1 | CAQ | HAQ2 | 108.0° | 109.5° |
| CAK | CAR | NAS | 113.8° | 109.5° |
| CAK | CAR | HAR | 106.2° | 109.4° |
| CAR | CAK | CAI | 114.9° | 109.5° |
| CAR | CAK | HAK1 | 108.1° | 109.5° |
| CAR | CAK | HAK2 | 106.3° | 109.5° |
| NAS | CAR | HAR | 110.2° | 109.4° |
| CAR | NAS | CAT | 126.6° | 120.0° |
| CAR | NAS | HAS | 116.7° | 120.0° |
| CAI | CAK | HAK1 | 108.1° | 109.4° |
| CAI | CAK | HAK2 | 106.3° | 109.5° |
| CAK | CAI | HAI1 | 109.5° | 109.5° |
| CAK | CAI | HAI2 | 109.5° | 109.5° |
| CAK | CAI | HAI3 | 109.4° | 109.5° |
| HAK1 | CAK | HAK2 | 113.4° | 109.4° |
| HAI1 | CAI | HAI2 | 109.5° | 109.5° |
| HAI1 | CAI | HAI3 | 109.4° | 109.5° |
| HAI2 | CAI | HAI3 | 109.5° | 109.4° |
| CAT | NAS | HAS | 116.7° | 120.0° |
| NAS | CAT | NAU | 118.5° | 118.9° |
| NAS | CAT | NAL | 123.4° | 118.8° |
| NAU | CAT | NAL | 118.1° | 122.3° |
| CAT | NAU | CAV | 119.7° | 120.6° |
| CAT | NAL | CAM | 122.5° | 121.1° |
| NAU | CAV | NAW | 127.6° | 134.8° |
| NAU | CAV | CAN | 123.1° | 119.1° |
| NAW | CAV | CAN | 109.3° | 106.0° |
| CAV | NAW | CAZ | 116.3° | 126.2° |
| CAV | NAW | CAX | 107.3° | 107.4° |
| CAV | CAN | NAO | 110.0° | 107.1° |
| CAV | CAN | CAM | 116.6° | 118.3° |
| CAZ | NAW | CAX | 136.4° | 126.3° |
| NAW | CAZ | CAY | 107.0° | 109.5° |
| NAW | CAZ | CBA | 109.7° | 109.5° |
| NAW | CAZ | HAZ | 115.6° | 109.5° |
| NAW | CAX | NAO | 111.0° | 110.0° |
| NAW | CAX | HAX | 124.5° | 125.0° |
| CAY | CAZ | CBA | 120.2° | 109.4° |
| CAY | CAZ | HAZ | 103.9° | 109.4° |
| CAZ | CAY | HAY1 | 109.5° | 109.5° |
| CAZ | CAY | HAY2 | 109.5° | 109.4° |
| CAZ | CAY | HAY3 | 109.5° | 109.4° |
| CBA | CAZ | HAZ | 100.8° | 109.5° |
| CAZ | CBA | HBA1 | 109.5° | 109.5° |
| CAZ | CBA | HBA2 | 109.5° | 109.5° |
| CAZ | CBA | HBA3 | 109.5° | 109.5° |
| HAY1 | CAY | HAY2 | 109.5° | 109.5° |
| HAY1 | CAY | HAY3 | 109.4° | 109.5° |
| HAY2 | CAY | HAY3 | 109.5° | 109.5° |
| HBA1 | CBA | HBA2 | 109.5° | 109.5° |
| HBA1 | CBA | HBA3 | 109.4° | 109.4° |
| HBA2 | CBA | HBA3 | 109.5° | 109.4° |
| NAO | CAX | HAX | 124.5° | 125.1° |
| CAX | NAO | CAN | 102.3° | 109.4° |
| NAO | CAN | CAM | 133.4° | 134.6° |
| CAN | CAM | NAL | 119.8° | 118.6° |
| CAN | CAM | NAJ | 117.8° | 120.7° |
| NAL | CAM | NAJ | 122.4° | 120.7° |
| CAM | NAJ | CAD | 122.0° | 120.0° |
| CAM | NAJ | HAJ | 119.0° | 120.0° |
| CAD | NAJ | HAJ | 119.0° | 120.0° |
| NAJ | CAD | CAE | 114.2° | 109.6° |
| NAJ | CAD | HAD1 | 108.3° | 109.4° |
| NAJ | CAD | HAD2 | 106.7° | 109.4° |
| CAE | CAD | HAD1 | 108.3° | 109.5° |
| CAE | CAD | HAD2 | 106.7° | 109.5° |
| CAD | CAE | CAG | 119.9° | 120.0° |
| CAD | CAE | CAB | 120.3° | 120.0° |
| HAD1 | CAD | HAD2 | 112.8° | 109.4° |
| CAG | CAE | CAB | 119.7° | 120.0° |
| CAE | CAG | CAH | 120.0° | 120.0° |
| CAE | CAG | HAG | 120.0° | 120.0° |
| CAE | CAB | CAC | 120.3° | 120.0° |
| CAE | CAB | HAB | 119.9° | 120.0° |
| CAH | CAG | HAG | 120.0° | 120.0° |
| CAG | CAH | CAF | 120.2° | 120.0° |
| CAG | CAH | HAH | 119.9° | 120.0° |
| CAF | CAH | HAH | 119.9° | 120.0° |
| CAH | CAF | CAC | 119.9° | 120.0° |
| CAH | CAF | HAF | 120.0° | 120.0° |
| CAC | CAF | HAF | 120.1° | 119.9° |
| CAF | CAC | CAB | 120.0° | 120.0° |
| CAF | CAC | HAC | 120.0° | 120.0° |
| CAB | CAC | HAC | 120.0° | 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 | 119.7° | 119.9° |
| OAP | CAQ | CAR | HAQ2 | 121.0° | 120.0° |
| OAP | CAQ | HAQ1 | HAQ2 | 121.0° | 120.0° |
| OAP | CAQ | CAR | CAK | 173.0° | 60.0° |
| OAP | CAQ | CAR | NAS | 66.5° | 60.0° |
| OAP | CAQ | CAR | HAR | 54.2° | 180.0° |
| HAP | OAP | CAQ | CAR | 74.5° | 180.0° |
| HAP | OAP | CAQ | HAQ1 | 165.9° | 60.0° |
| HAP | OAP | CAQ | HAQ2 | 46.5° | 60.0° |
| CAR | CAQ | HAQ1 | HAQ2 | 121.0° | 120.0° |
| CAQ | CAR | CAK | NAS | 113.5° | 120.1° |
| CAQ | CAR | CAK | HAR | 125.1° | 120.0° |
| CAQ | CAR | NAS | HAR | 124.9° | 120.1° |
| CAQ | CAR | CAK | CAI | 119.3° | 180.0° |
| CAQ | CAR | CAK | HAK1 | 119.9° | 60.0° |
| CAQ | CAR | CAK | HAK2 | 2.1° | 60.0° |
| CAQ | CAR | NAS | CAT | 112.1° | 90.0° |
| CAQ | CAR | NAS | HAS | 67.9° | 90.0° |
| HAQ1 | CAQ | CAR | CAK | 53.4° | 59.9° |
| HAQ1 | CAQ | CAR | NAS | 173.8° | 179.9° |
| HAQ1 | CAQ | CAR | HAR | 65.4° | 60.0° |
| HAQ2 | CAQ | CAR | CAK | 66.0° | 180.0° |
| HAQ2 | CAQ | CAR | NAS | 54.5° | 60.0° |
| HAQ2 | CAQ | CAR | HAR | 175.2° | 60.0° |
| CAK | CAR | NAS | HAR | 119.1° | 119.9° |
| CAR | CAK | CAI | HAK1 | 120.8° | 120.0° |
| CAR | CAK | CAI | HAK2 | 117.2° | 120.0° |
| CAR | CAK | HAK1 | HAK2 | 117.6° | 120.0° |
| CAR | CAK | CAI | HAI1 | 45.0° | 180.0° |
| CAR | CAK | CAI | HAI2 | 75.0° | 60.0° |
| CAR | CAK | CAI | HAI3 | 164.9° | 60.0° |
| CAK | CAR | NAS | CAT | 131.9° | 150.0° |
| CAK | CAR | NAS | HAS | 48.1° | 30.0° |
| NAS | CAR | CAK | CAI | 5.8° | 60.0° |
| NAS | CAR | CAK | HAK1 | 126.6° | 60.0° |
| NAS | CAR | CAK | HAK2 | 111.4° | 180.0° |
| CAR | NAS | CAT | HAS | 180.0° | 180.0° |
| CAR | NAS | CAT | NAU | 179.2° | 179.8° |
| CAR | NAS | CAT | NAL | 1.9° | 0.0° |
| HAR | CAR | CAK | CAI | 115.6° | 59.9° |
| HAR | CAR | CAK | HAK1 | 5.2° | 179.9° |
| HAR | CAR | CAK | HAK2 | 127.2° | 60.1° |
| HAR | CAR | NAS | CAT | 12.8° | 30.1° |
| HAR | CAR | NAS | HAS | 167.2° | 149.9° |
| CAI | CAK | HAK1 | HAK2 | 117.5° | 120.0° |
| CAK | CAI | HAI1 | HAI2 | 120.0° | 120.0° |
| CAK | CAI | HAI1 | HAI3 | 120.0° | 120.0° |
| CAK | CAI | HAI2 | HAI3 | 120.0° | 120.0° |
| HAK1 | CAK | CAI | HAI1 | 165.8° | 60.0° |
| HAK1 | CAK | CAI | HAI2 | 45.8° | 60.1° |
| HAK1 | CAK | CAI | HAI3 | 74.3° | 180.0° |
| HAK2 | CAK | CAI | HAI1 | 72.2° | 60.0° |
| HAK2 | CAK | CAI | HAI2 | 167.7° | 180.0° |
| HAK2 | CAK | CAI | HAI3 | 47.7° | 60.1° |
| HAI1 | CAI | HAI2 | HAI3 | 120.0° | 120.0° |
| NAS | CAT | NAU | NAL | 179.0° | 179.8° |
| NAS | CAT | NAU | CAV | 180.0° | 179.7° |
| NAS | CAT | NAL | CAM | 179.6° | 180.0° |
| HAS | NAS | CAT | NAU | 0.7° | 0.2° |
| HAS | NAS | CAT | NAL | 178.2° | 180.0° |
| CAT | NAU | CAV | NAW | 178.8° | 179.9° |
| CAT | NAU | CAV | CAN | 1.4° | 0.5° |
| NAU | CAT | NAL | CAM | 0.7° | 0.2° |
| NAL | CAT | NAU | CAV | 1.0° | 0.5° |
| CAT | NAL | CAM | CAN | 0.6° | 0.0° |
| CAT | NAL | CAM | NAJ | 177.8° | 180.0° |
| NAU | CAV | NAW | CAN | 179.8° | 179.7° |
| NAU | CAV | NAW | CAZ | 0.5° | 0.3° |
| NAU | CAV | NAW | CAX | 179.3° | 179.7° |
| NAU | CAV | CAN | NAO | 178.7° | 179.8° |
| NAU | CAV | CAN | CAM | 1.3° | 0.3° |
| CAV | NAW | CAZ | CAX | 179.7° | 180.0° |
| CAV | NAW | CAZ | CAY | 113.6° | 120.0° |
| CAV | NAW | CAZ | CBA | 114.6° | 120.1° |
| CAV | NAW | CAZ | HAZ | 1.5° | 0.0° |
| CAV | NAW | CAX | NAO | 2.7° | 0.1° |
| CAV | NAW | CAX | HAX | 177.3° | 179.9° |
| NAW | CAV | CAN | NAO | 1.2° | 0.0° |
| NAW | CAV | CAN | CAM | 178.9° | 180.0° |
| CAN | CAV | NAW | CAZ | 179.3° | 180.0° |
| CAN | CAV | NAW | CAX | 0.9° | 0.1° |
| CAV | CAN | NAO | CAX | 2.7° | 0.0° |
| CAV | CAN | NAO | CAM | 180.0° | 180.0° |
| CAV | CAN | CAM | NAL | 0.9° | 0.0° |
| CAV | CAN | CAM | NAJ | 177.6° | 180.0° |
| NAW | CAZ | CAY | CBA | 125.8° | 120.0° |
| NAW | CAZ | CAY | HAZ | 122.7° | 120.0° |
| NAW | CAZ | CBA | HAZ | 122.4° | 120.1° |
| NAW | CAZ | CAY | HAY1 | 135.6° | 180.0° |
| NAW | CAZ | CAY | HAY2 | 104.3° | 60.0° |
| NAW | CAZ | CAY | HAY3 | 15.7° | 60.0° |
| NAW | CAZ | CBA | HBA1 | 122.6° | 60.0° |
| NAW | CAZ | CBA | HBA2 | 2.6° | 60.1° |
| NAW | CAZ | CBA | HBA3 | 117.5° | 180.0° |
| CAZ | NAW | CAX | NAO | 177.6° | 180.0° |
| CAZ | NAW | CAX | HAX | 2.4° | 0.0° |
| CAX | NAW | CAZ | CAY | 66.1° | 60.0° |
| CAX | NAW | CAZ | CBA | 65.7° | 60.0° |
| CAX | NAW | CAZ | HAZ | 178.8° | 180.0° |
| NAW | CAX | NAO | HAX | 180.0° | 180.0° |
| NAW | CAX | NAO | CAN | 3.2° | 0.0° |
| CAY | CAZ | CBA | HAZ | 113.1° | 120.0° |
| CAZ | CAY | HAY1 | HAY2 | 120.0° | 120.0° |
| CAZ | CAY | HAY1 | HAY3 | 120.0° | 120.0° |
| CAZ | CAY | HAY2 | HAY3 | 120.0° | 120.0° |
| CAY | CAZ | CBA | HBA1 | 2.0° | 60.0° |
| CAY | CAZ | CBA | HBA2 | 122.0° | 179.9° |
| CAY | CAZ | CBA | HBA3 | 118.0° | 60.0° |
| CBA | CAZ | CAY | HAY1 | 9.8° | 60.0° |
| CBA | CAZ | CAY | HAY2 | 129.9° | 180.0° |
| CBA | CAZ | CAY | HAY3 | 110.2° | 60.0° |
| CAZ | CBA | HBA1 | HBA2 | 120.0° | 120.0° |
| CAZ | CBA | HBA1 | HBA3 | 120.0° | 120.0° |
| CAZ | CBA | HBA2 | HBA3 | 120.0° | 120.0° |
| HAZ | CAZ | CAY | HAY1 | 101.6° | 60.0° |
| HAZ | CAZ | CAY | HAY2 | 18.4° | 60.0° |
| HAZ | CAZ | CAY | HAY3 | 138.4° | 180.0° |
| HAZ | CAZ | CBA | HBA1 | 115.1° | 180.0° |
| HAZ | CAZ | CBA | HBA2 | 124.9° | 60.0° |
| HAZ | CAZ | CBA | HBA3 | 4.9° | 60.0° |
| HAY1 | CAY | HAY2 | HAY3 | 120.0° | 120.0° |
| HBA1 | CBA | HBA2 | HBA3 | 119.9° | 120.0° |
| CAX | NAO | CAN | CAM | 177.4° | 180.0° |
| HAX | CAX | NAO | CAN | 176.8° | 179.9° |
| NAO | CAN | CAM | NAL | 179.1° | 180.0° |
| NAO | CAN | CAM | NAJ | 2.5° | 0.0° |
| CAN | CAM | NAL | NAJ | 178.4° | 180.0° |
| CAN | CAM | NAJ | CAD | 164.0° | 180.0° |
| CAN | CAM | NAJ | HAJ | 16.0° | 0.0° |
| NAL | CAM | NAJ | CAD | 14.4° | 0.1° |
| NAL | CAM | NAJ | HAJ | 165.6° | 180.0° |
| CAM | NAJ | CAD | HAJ | 180.0° | 179.9° |
| CAM | NAJ | CAD | CAE | 94.1° | 180.0° |
| CAM | NAJ | CAD | HAD1 | 145.2° | 60.0° |
| CAM | NAJ | CAD | HAD2 | 23.5° | 59.9° |
| NAJ | CAD | CAE | HAD1 | 120.7° | 120.0° |
| NAJ | CAD | CAE | HAD2 | 117.6° | 120.0° |
| NAJ | CAD | HAD1 | HAD2 | 117.9° | 119.9° |
| NAJ | CAD | CAE | CAG | 135.3° | 90.0° |
| NAJ | CAD | CAE | CAB | 47.1° | 90.3° |
| HAJ | NAJ | CAD | CAE | 85.9° | 0.0° |
| HAJ | NAJ | CAD | HAD1 | 34.8° | 120.1° |
| HAJ | NAJ | CAD | HAD2 | 156.5° | 120.0° |
| CAE | CAD | HAD1 | HAD2 | 117.8° | 120.0° |
| CAD | CAE | CAG | CAB | 177.6° | 179.8° |
| CAD | CAE | CAG | CAH | 179.5° | 180.0° |
| CAD | CAE | CAG | HAG | 0.4° | 0.0° |
| CAD | CAE | CAB | CAC | 178.6° | 179.7° |
| CAD | CAE | CAB | HAB | 1.4° | 0.2° |
| HAD1 | CAD | CAE | CAG | 104.0° | 30.1° |
| HAD1 | CAD | CAE | CAB | 73.6° | 149.7° |
| HAD2 | CAD | CAE | CAG | 17.7° | 150.0° |
| HAD2 | CAD | CAE | CAB | 164.7° | 29.7° |
| CAE | CAG | CAH | HAG | 180.0° | 180.0° |
| CAE | CAG | CAH | CAF | 1.7° | 0.0° |
| CAE | CAG | CAH | HAH | 178.3° | 179.9° |
| CAG | CAE | CAB | CAC | 1.0° | 0.5° |
| CAG | CAE | CAB | HAB | 179.0° | 180.0° |
| CAB | CAE | CAG | CAH | 1.9° | 0.3° |
| CAB | CAE | CAG | HAG | 178.1° | 179.7° |
| CAE | CAB | CAC | CAF | 0.1° | 0.5° |
| CAE | CAB | CAC | HAB | 180.0° | 179.5° |
| CAE | CAB | CAC | HAC | 179.9° | 179.7° |
| CAG | CAH | CAF | HAH | 180.0° | 180.0° |
| CAG | CAH | CAF | CAC | 0.5° | 0.0° |
| CAG | CAH | CAF | HAF | 179.5° | 179.9° |
| HAG | CAG | CAH | CAF | 178.3° | 180.0° |
| HAG | CAG | CAH | HAH | 1.7° | 0.1° |
| CAH | CAF | CAC | HAF | 180.0° | 180.0° |
| CAH | CAF | CAC | CAB | 0.4° | 0.2° |
| CAH | CAF | CAC | HAC | 179.6° | 179.9° |
| HAH | CAH | CAF | CAC | 179.5° | 180.0° |
| HAH | CAH | CAF | HAF | 0.6° | 0.0° |
| CAF | CAC | CAB | HAC | 180.0° | 179.9° |
| CAF | CAC | CAB | HAB | 179.9° | 180.0° |
| HAF | CAF | CAC | CAB | 179.6° | 179.8° |
| HAF | CAF | CAC | HAC | 0.4° | 0.0° |
| HAC | CAC | CAB | HAB | 0.1° | 0.2° |
