HNR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAW | CAX | sing | 1.53Å | 1.54Å | |
| CAX | CAV | sing | 1.53Å | 1.53Å | |
| CAV | CAU | sing | 1.53Å | 1.54Å | |
| CAU | NAQ | sing | 1.46Å | 1.48Å | |
| NAQ | CAR | sing | 1.38Å | 1.40Å | |
| NAQ | CAP | sing | 1.35Å | 1.41Å | |
| CAR | NAS | sing | 1.38Å | 1.33Å | |
| CAR | CAI | doub | 1.37Å | 1.40Å | |
| CAP | OAO | doub | 1.22Å | 1.23Å | |
| CAP | NAG | sing | 1.34Å | 1.37Å | |
| NAG | CAH | sing | 1.35Å | 1.39Å | |
| CAH | OAA | doub | 1.22Å | 1.23Å | |
| CAH | CAI | sing | 1.41Å | 1.40Å | |
| CAI | NAJ | sing | 1.41Å | 1.33Å | |
| NAJ | CAB | sing | 1.47Å | 1.47Å | |
| NAJ | SAK | sing | 1.66Å | 1.67Å | |
| SAK | OAT | doub | 1.42Å | 1.42Å | |
| SAK | OAC | doub | 1.42Å | 1.49Å | |
| SAK | CAL | sing | 1.76Å | 1.73Å | |
| CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | HAW1 | sing | 1.09Å | 1.10Å | |
| CAW | HAW2 | sing | 1.09Å | 1.10Å | |
| CAW | HAW3 | sing | 1.09Å | 1.10Å | |
| CAX | HAX1 | sing | 1.09Å | 1.10Å | |
| CAX | HAX2 | sing | 1.09Å | 1.10Å | |
| CAV | HAV1 | sing | 1.09Å | 1.10Å | |
| CAV | HAV2 | sing | 1.09Å | 1.10Å | |
| CAU | HAU1 | sing | 1.09Å | 1.10Å | |
| CAU | HAU2 | sing | 1.09Å | 1.10Å | |
| NAS | HAS1 | sing | 0.97Å | 1.00Å | |
| NAS | HAS2 | sing | 0.97Å | 1.00Å | |
| NAG | HAG | sing | 0.97Å | 1.00Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| 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) |
| CAW | CAX | CAV | 110.8° | 109.5° |
| CAX | CAW | HAW1 | 109.5° | 109.5° |
| CAX | CAW | HAW2 | 109.4° | 109.4° |
| CAX | CAW | HAW3 | 109.4° | 109.5° |
| CAW | CAX | HAX1 | 109.2° | 109.4° |
| CAW | CAX | HAX2 | 109.1° | 109.5° |
| CAX | CAV | CAU | 113.5° | 109.4° |
| CAV | CAX | HAX1 | 109.1° | 109.5° |
| CAV | CAX | HAX2 | 109.1° | 109.5° |
| CAX | CAV | HAV1 | 108.4° | 109.4° |
| CAX | CAV | HAV2 | 108.5° | 109.5° |
| CAV | CAU | NAQ | 108.4° | 109.5° |
| CAU | CAV | HAV1 | 108.5° | 109.5° |
| CAU | CAV | HAV2 | 108.5° | 109.5° |
| CAV | CAU | HAU1 | 109.7° | 109.4° |
| CAV | CAU | HAU2 | 109.7° | 109.5° |
| CAU | NAQ | CAR | 119.9° | 119.8° |
| CAU | NAQ | CAP | 119.5° | 119.8° |
| NAQ | CAU | HAU1 | 109.7° | 109.5° |
| NAQ | CAU | HAU2 | 109.8° | 109.5° |
| CAR | NAQ | CAP | 120.6° | 120.3° |
| NAQ | CAR | NAS | 119.7° | 120.3° |
| NAQ | CAR | CAI | 119.3° | 119.4° |
| NAQ | CAP | OAO | 122.5° | 119.4° |
| NAQ | CAP | NAG | 119.5° | 121.1° |
| NAS | CAR | CAI | 121.0° | 120.4° |
| CAR | NAS | HAS1 | 109.5° | 120.0° |
| CAR | NAS | HAS2 | 109.5° | 120.0° |
| CAR | CAI | CAH | 119.2° | 119.0° |
| CAR | CAI | NAJ | 121.2° | 120.5° |
| OAO | CAP | NAG | 118.0° | 119.5° |
| CAP | NAG | CAH | 120.5° | 120.6° |
| CAP | NAG | HAG | 119.8° | 119.7° |
| NAG | CAH | OAA | 116.6° | 120.2° |
| NAG | CAH | CAI | 121.0° | 119.6° |
| CAH | NAG | HAG | 119.7° | 119.7° |
| OAA | CAH | CAI | 122.4° | 120.2° |
| CAH | CAI | NAJ | 119.6° | 120.5° |
| CAI | NAJ | CAB | 117.8° | 120.0° |
| CAI | NAJ | SAK | 121.9° | 120.0° |
| CAB | NAJ | SAK | 120.0° | 119.9° |
| NAJ | CAB | HAB1 | 109.5° | 109.4° |
| NAJ | CAB | HAB2 | 109.5° | 109.5° |
| NAJ | CAB | HAB3 | 109.5° | 109.4° |
| NAJ | SAK | OAT | 110.2° | 106.4° |
| NAJ | SAK | OAC | 110.0° | 106.4° |
| NAJ | SAK | CAL | 108.3° | 107.2° |
| OAT | SAK | OAC | 110.3° | 123.2° |
| OAT | SAK | CAL | 107.4° | 106.4° |
| OAC | SAK | CAL | 110.6° | 106.4° |
| SAK | CAL | CAM | 118.4° | 120.0° |
| SAK | CAL | CAD | 121.0° | 120.0° |
| CAM | CAL | CAD | 120.6° | 120.0° |
| CAL | CAM | CAN | 120.6° | 120.0° |
| CAL | CAM | HAM | 119.7° | 120.0° |
| CAL | CAD | CAE | 118.9° | 120.0° |
| CAL | CAD | HAD | 120.5° | 120.0° |
| CAM | CAN | CAF | 119.3° | 120.0° |
| CAN | CAM | HAM | 119.7° | 120.0° |
| CAM | CAN | HAN | 120.3° | 120.0° |
| CAN | CAF | CAE | 120.0° | 120.0° |
| CAF | CAN | HAN | 120.4° | 119.9° |
| CAN | CAF | HAF | 120.0° | 120.0° |
| CAF | CAE | CAD | 120.6° | 120.0° |
| CAE | CAF | HAF | 120.0° | 120.0° |
| CAF | CAE | HAE | 119.7° | 120.0° |
| CAE | CAD | HAD | 120.5° | 120.0° |
| CAD | CAE | HAE | 119.7° | 120.0° |
| HAW1 | CAW | HAW2 | 109.5° | 109.5° |
| HAW1 | CAW | HAW3 | 109.5° | 109.5° |
| HAW2 | CAW | HAW3 | 109.4° | 109.5° |
| HAX1 | CAX | HAX2 | 109.4° | 109.5° |
| HAV1 | CAV | HAV2 | 109.4° | 109.5° |
| HAU1 | CAU | HAU2 | 109.5° | 109.5° |
| HAS1 | NAS | HAS2 | 109.4° | 120.0° |
| HAB1 | CAB | HAB2 | 109.4° | 109.5° |
| HAB1 | CAB | HAB3 | 109.4° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAW | CAX | CAV | HAX1 | 120.2° | 119.9° |
| CAW | CAX | CAV | HAX2 | 120.2° | 120.0° |
| CAW | CAX | CAV | CAU | 160.3° | 180.0° |
| CAX | CAW | HAW1 | HAW2 | 120.0° | 119.9° |
| CAX | CAW | HAW1 | HAW3 | 120.0° | 120.0° |
| CAX | CAW | HAW2 | HAW3 | 119.9° | 120.0° |
| CAW | CAX | HAX1 | HAX2 | 119.4° | 120.0° |
| CAW | CAX | CAV | HAV1 | 79.1° | 60.0° |
| CAW | CAX | CAV | HAV2 | 39.7° | 60.0° |
| CAX | CAV | CAU | HAV1 | 120.6° | 119.9° |
| CAX | CAV | CAU | HAV2 | 120.6° | 120.0° |
| CAX | CAV | CAU | NAQ | 100.2° | 180.0° |
| CAV | CAX | CAW | HAW1 | 180.0° | 60.0° |
| CAV | CAX | CAW | HAW2 | 60.0° | 60.0° |
| CAV | CAX | CAW | HAW3 | 60.0° | 180.0° |
| CAV | CAX | HAX1 | HAX2 | 119.4° | 120.1° |
| CAX | CAV | HAV1 | HAV2 | 118.2° | 120.0° |
| CAX | CAV | CAU | HAU1 | 140.0° | 60.0° |
| CAX | CAV | CAU | HAU2 | 19.7° | 60.0° |
| CAV | CAU | NAQ | HAU1 | 119.8° | 119.9° |
| CAV | CAU | NAQ | HAU2 | 119.8° | 120.0° |
| CAV | CAU | NAQ | CAR | 86.6° | 90.0° |
| CAV | CAU | NAQ | CAP | 92.2° | 90.3° |
| CAU | CAV | CAX | HAX1 | 40.1° | 60.1° |
| CAU | CAV | CAX | HAX2 | 79.5° | 60.0° |
| CAU | CAV | HAV1 | HAV2 | 118.2° | 120.0° |
| CAV | CAU | HAU1 | HAU2 | 120.5° | 120.0° |
| CAU | NAQ | CAR | CAP | 178.7° | 179.7° |
| CAU | NAQ | CAR | NAS | 0.8° | 0.0° |
| CAU | NAQ | CAR | CAI | 179.0° | 180.0° |
| CAU | NAQ | CAP | OAO | 1.9° | 0.0° |
| CAU | NAQ | CAP | NAG | 179.3° | 180.0° |
| NAQ | CAU | CAV | HAV1 | 20.4° | 60.1° |
| NAQ | CAU | CAV | HAV2 | 139.2° | 60.0° |
| NAQ | CAU | HAU1 | HAU2 | 120.5° | 120.0° |
| NAQ | CAR | NAS | CAI | 179.7° | 180.0° |
| CAR | NAQ | CAP | OAO | 179.4° | 179.7° |
| CAR | NAQ | CAP | NAG | 0.6° | 0.3° |
| NAQ | CAR | CAI | CAH | 0.3° | 0.0° |
| NAQ | CAR | CAI | NAJ | 179.2° | 180.0° |
| CAR | NAQ | CAU | HAU1 | 33.3° | 29.9° |
| CAR | NAQ | CAU | HAU2 | 153.6° | 150.0° |
| NAQ | CAR | NAS | HAS1 | 180.0° | 2.7° |
| NAQ | CAR | NAS | HAS2 | 60.0° | 177.4° |
| CAP | NAQ | CAR | NAS | 179.5° | 179.8° |
| CAP | NAQ | CAR | CAI | 0.3° | 0.2° |
| NAQ | CAP | OAO | NAG | 178.8° | 180.0° |
| NAQ | CAP | NAG | CAH | 0.4° | 0.0° |
| CAP | NAQ | CAU | HAU1 | 148.0° | 149.8° |
| CAP | NAQ | CAU | HAU2 | 27.7° | 29.7° |
| NAQ | CAP | NAG | HAG | 179.6° | 180.0° |
| NAS | CAR | CAI | CAH | 180.0° | 180.0° |
| NAS | CAR | CAI | NAJ | 1.1° | 0.0° |
| CAR | NAS | HAS1 | HAS2 | 120.0° | 179.9° |
| CAR | CAI | CAH | NAG | 0.5° | 0.3° |
| CAR | CAI | CAH | OAA | 179.3° | 180.0° |
| CAR | CAI | CAH | NAJ | 178.9° | 180.0° |
| CAR | CAI | NAJ | CAB | 105.9° | 49.2° |
| CAR | CAI | NAJ | SAK | 80.0° | 130.8° |
| CAI | CAR | NAS | HAS1 | 0.3° | 177.3° |
| CAI | CAR | NAS | HAS2 | 119.7° | 2.6° |
| OAO | CAP | NAG | CAH | 179.2° | 179.9° |
| OAO | CAP | NAG | HAG | 0.8° | 0.0° |
| CAP | NAG | CAH | HAG | 180.0° | 179.9° |
| CAP | NAG | CAH | OAA | 179.6° | 180.0° |
| CAP | NAG | CAH | CAI | 0.2° | 0.2° |
| NAG | CAH | OAA | CAI | 179.9° | 179.7° |
| NAG | CAH | CAI | NAJ | 179.4° | 179.8° |
| OAA | CAH | CAI | NAJ | 0.4° | 0.0° |
| OAA | CAH | NAG | HAG | 0.3° | 0.0° |
| CAH | CAI | NAJ | CAB | 73.0° | 130.8° |
| CAH | CAI | NAJ | SAK | 101.1° | 49.2° |
| CAI | CAH | NAG | HAG | 179.8° | 179.7° |
| CAI | NAJ | CAB | SAK | 174.2° | 180.0° |
| CAI | NAJ | SAK | OAT | 47.1° | 136.2° |
| CAI | NAJ | SAK | OAC | 168.9° | 3.2° |
| CAI | NAJ | SAK | CAL | 70.2° | 110.3° |
| CAI | NAJ | CAB | HAB1 | 180.0° | 124.9° |
| CAI | NAJ | CAB | HAB2 | 60.0° | 115.1° |
| CAI | NAJ | CAB | HAB3 | 60.0° | 4.9° |
| CAB | NAJ | SAK | OAT | 138.9° | 43.9° |
| CAB | NAJ | SAK | OAC | 17.1° | 176.8° |
| CAB | NAJ | SAK | CAL | 103.8° | 69.7° |
| NAJ | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NAJ | CAB | HAB1 | HAB3 | 120.0° | 119.9° |
| NAJ | CAB | HAB2 | HAB3 | 120.0° | 119.9° |
| NAJ | SAK | OAT | OAC | 121.6° | 122.9° |
| NAJ | SAK | OAT | CAL | 117.8° | 114.1° |
| NAJ | SAK | OAC | CAL | 119.5° | 114.1° |
| NAJ | SAK | CAL | CAM | 75.9° | 90.0° |
| NAJ | SAK | CAL | CAD | 104.0° | 90.2° |
| SAK | NAJ | CAB | HAB1 | 5.8° | 55.2° |
| SAK | NAJ | CAB | HAB2 | 125.8° | 64.9° |
| SAK | NAJ | CAB | HAB3 | 114.2° | 175.1° |
| OAT | SAK | OAC | CAL | 118.7° | 123.0° |
| OAT | SAK | CAL | CAM | 43.1° | 23.6° |
| OAT | SAK | CAL | CAD | 137.0° | 156.2° |
| OAC | SAK | CAL | CAM | 163.5° | 156.5° |
| OAC | SAK | CAL | CAD | 16.6° | 23.3° |
| SAK | CAL | CAM | CAD | 179.9° | 179.8° |
| SAK | CAL | CAM | CAN | 179.5° | 180.0° |
| SAK | CAL | CAD | CAE | 179.9° | 179.8° |
| SAK | CAL | CAM | HAM | 0.5° | 0.0° |
| SAK | CAL | CAD | HAD | 0.0° | 0.0° |
| CAL | CAM | CAN | HAM | 180.0° | 180.0° |
| CAL | CAM | CAN | CAF | 0.7° | 0.0° |
| CAM | CAL | CAD | CAE | 0.0° | 0.4° |
| CAM | CAL | CAD | HAD | 180.0° | 179.8° |
| CAL | CAM | CAN | HAN | 179.3° | 180.0° |
| CAD | CAL | CAM | CAN | 0.6° | 0.2° |
| CAL | CAD | CAE | CAF | 0.5° | 0.3° |
| CAL | CAD | CAE | HAD | 180.0° | 179.9° |
| CAD | CAL | CAM | HAM | 179.4° | 179.8° |
| CAL | CAD | CAE | HAE | 179.6° | 179.7° |
| CAM | CAN | CAF | HAN | 180.0° | 180.0° |
| CAM | CAN | CAF | CAE | 0.2° | 0.0° |
| CAM | CAN | CAF | HAF | 179.8° | 180.0° |
| CAN | CAF | CAE | HAF | 180.0° | 180.0° |
| CAN | CAF | CAE | CAD | 0.4° | 0.1° |
| CAF | CAN | CAM | HAM | 179.3° | 180.0° |
| CAN | CAF | CAE | HAE | 179.6° | 179.9° |
| CAF | CAE | CAD | HAE | 180.0° | 180.0° |
| CAF | CAE | CAD | HAD | 179.6° | 179.8° |
| CAE | CAF | CAN | HAN | 179.8° | 179.9° |
| CAD | CAE | CAF | HAF | 179.7° | 179.9° |
| HAW1 | CAW | HAW2 | HAW3 | 120.0° | 120.0° |
| HAW1 | CAW | CAX | HAX1 | 59.8° | 60.0° |
| HAW1 | CAW | CAX | HAX2 | 59.8° | 180.0° |
| HAW2 | CAW | CAX | HAX1 | 60.3° | 180.0° |
| HAW2 | CAW | CAX | HAX2 | 179.8° | 60.0° |
| HAW3 | CAW | CAX | HAX1 | 179.8° | 60.0° |
| HAW3 | CAW | CAX | HAX2 | 60.3° | 60.0° |
| HAX1 | CAX | CAV | HAV1 | 160.7° | 180.0° |
| HAX1 | CAX | CAV | HAV2 | 80.5° | 60.0° |
| HAX2 | CAX | CAV | HAV1 | 41.1° | 60.0° |
| HAX2 | CAX | CAV | HAV2 | 159.9° | 180.0° |
| HAV1 | CAV | CAU | HAU1 | 99.4° | 180.0° |
| HAV1 | CAV | CAU | HAU2 | 140.3° | 60.0° |
| HAV2 | CAV | CAU | HAU1 | 19.4° | 60.0° |
| HAV2 | CAV | CAU | HAU2 | 100.9° | 180.0° |
| HAB1 | CAB | HAB2 | HAB3 | 119.9° | 120.1° |
| HAM | CAM | CAN | HAN | 0.7° | 0.0° |
| HAD | CAD | CAE | HAE | 0.4° | 0.2° |
| HAN | CAN | CAF | HAF | 0.2° | 0.0° |
| HAF | CAF | CAE | HAE | 0.3° | 0.1° |
