942
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAW | CAX | sing | 1.53Å | 1.51Å | |
| CAX | CAV | sing | 1.53Å | 1.58Å | |
| CAV | CAU | sing | 1.53Å | 1.51Å | |
| CAU | NAQ | sing | 1.47Å | 1.53Å | |
| NAQ | CAR | sing | 1.38Å | 1.39Å | |
| NAQ | CAP | sing | 1.35Å | 1.35Å | |
| CAR | NAS | sing | 1.37Å | 1.34Å | |
| CAR | CAI | doub | 1.38Å | 1.38Å | |
| CAP | OAO | doub | 1.22Å | 1.24Å | |
| CAP | NAG | sing | 1.34Å | 1.41Å | |
| NAG | CAH | sing | 1.35Å | 1.41Å | |
| CAH | OAA | doub | 1.22Å | 1.22Å | |
| CAH | CAI | sing | 1.41Å | 1.38Å | |
| CAI | NAJ | sing | 1.41Å | 1.33Å | |
| NAJ | CAB | sing | 1.46Å | 1.48Å | |
| NAJ | CAK | sing | 1.35Å | 1.30Å | |
| CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAM | CAN | doub | 1.40Å | 1.37Å | Aromatic |
| CAN | CAF | sing | 1.40Å | 1.37Å | Aromatic |
| CAN | CAK | sing | 1.48Å | 1.39Å | |
| CAF | CAE | doub | 1.38Å | 1.37Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | OAT | doub | 1.22Å | 1.24Å | |
| 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 | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAD | HAD | 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 | 109.9° | 109.4° |
| CAX | CAW | HAW1 | 109.5° | 109.4° |
| CAX | CAW | HAW2 | 109.5° | 109.5° |
| CAX | CAW | HAW3 | 109.5° | 109.5° |
| CAW | CAX | HAX1 | 109.4° | 109.5° |
| CAW | CAX | HAX2 | 109.3° | 109.5° |
| CAX | CAV | CAU | 106.7° | 109.5° |
| CAV | CAX | HAX1 | 109.4° | 109.4° |
| CAV | CAX | HAX2 | 109.4° | 109.5° |
| CAX | CAV | HAV1 | 110.1° | 109.4° |
| CAX | CAV | HAV2 | 110.1° | 109.5° |
| CAV | CAU | NAQ | 119.2° | 109.4° |
| CAU | CAV | HAV1 | 110.2° | 109.5° |
| CAU | CAV | HAV2 | 110.2° | 109.5° |
| CAV | CAU | HAU1 | 107.0° | 109.4° |
| CAV | CAU | HAU2 | 107.0° | 109.5° |
| CAU | NAQ | CAR | 115.8° | 119.8° |
| CAU | NAQ | CAP | 126.0° | 119.8° |
| NAQ | CAU | HAU1 | 107.0° | 109.5° |
| NAQ | CAU | HAU2 | 107.0° | 109.5° |
| CAR | NAQ | CAP | 118.3° | 120.4° |
| NAQ | CAR | NAS | 125.0° | 120.4° |
| NAQ | CAR | CAI | 122.7° | 119.2° |
| NAQ | CAP | OAO | 121.2° | 119.4° |
| NAQ | CAP | NAG | 120.5° | 121.2° |
| NAS | CAR | CAI | 112.3° | 120.4° |
| CAR | NAS | HAS1 | 109.5° | 120.0° |
| CAR | NAS | HAS2 | 109.5° | 120.0° |
| CAR | CAI | CAH | 120.2° | 118.9° |
| CAR | CAI | NAJ | 117.8° | 120.6° |
| OAO | CAP | NAG | 118.3° | 119.4° |
| CAP | NAG | CAH | 120.7° | 120.7° |
| CAP | NAG | HAG | 119.7° | 119.6° |
| NAG | CAH | OAA | 121.6° | 120.2° |
| NAG | CAH | CAI | 117.7° | 119.6° |
| CAH | NAG | HAG | 119.6° | 119.6° |
| OAA | CAH | CAI | 120.6° | 120.3° |
| CAH | CAI | NAJ | 121.8° | 120.5° |
| CAI | NAJ | CAB | 119.0° | 120.0° |
| CAI | NAJ | CAK | 126.6° | 120.0° |
| CAB | NAJ | CAK | 114.3° | 120.0° |
| NAJ | CAB | HAB1 | 109.5° | 109.4° |
| NAJ | CAB | HAB2 | 109.5° | 109.4° |
| NAJ | CAB | HAB3 | 109.5° | 109.5° |
| NAJ | CAK | CAN | 121.5° | 120.0° |
| NAJ | CAK | OAT | 118.3° | 120.0° |
| CAM | CAL | CAD | 120.5° | 120.1° |
| CAL | CAM | CAN | 120.6° | 119.8° |
| CAM | CAL | HAL | 119.7° | 119.9° |
| CAL | CAM | HAM | 119.7° | 120.1° |
| CAL | CAD | CAE | 118.4° | 120.3° |
| CAD | CAL | HAL | 119.8° | 119.9° |
| CAL | CAD | HAD | 120.8° | 119.8° |
| CAM | CAN | CAF | 118.2° | 119.7° |
| CAM | CAN | CAK | 126.1° | 120.1° |
| CAN | CAM | HAM | 119.7° | 120.1° |
| CAF | CAN | CAK | 115.7° | 120.1° |
| CAN | CAF | CAE | 121.9° | 119.9° |
| CAN | CAF | HAF | 119.0° | 120.0° |
| CAN | CAK | OAT | 120.0° | 120.0° |
| CAF | CAE | CAD | 120.4° | 120.1° |
| CAE | CAF | HAF | 119.1° | 120.1° |
| CAF | CAE | HAE | 119.8° | 119.9° |
| CAE | CAD | HAD | 120.8° | 119.9° |
| CAD | CAE | HAE | 119.8° | 119.9° |
| HAW1 | CAW | HAW2 | 109.5° | 109.5° |
| HAW1 | CAW | HAW3 | 109.4° | 109.4° |
| HAW2 | CAW | HAW3 | 109.5° | 109.5° |
| HAX1 | CAX | HAX2 | 109.5° | 109.5° |
| HAV1 | CAV | HAV2 | 109.5° | 109.5° |
| HAU1 | CAU | HAU2 | 109.5° | 109.5° |
| HAS1 | NAS | HAS2 | 109.4° | 120.0° |
| HAB1 | CAB | HAB2 | 109.5° | 109.4° |
| 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 | 120.1° | 120.0° |
| CAW | CAX | CAV | HAX2 | 120.0° | 120.0° |
| CAW | CAX | CAV | CAU | 123.3° | 180.0° |
| CAX | CAW | HAW1 | HAW2 | 120.0° | 120.0° |
| CAX | CAW | HAW1 | HAW3 | 120.0° | 120.0° |
| CAX | CAW | HAW2 | HAW3 | 120.0° | 120.0° |
| CAW | CAX | HAX1 | HAX2 | 119.8° | 120.0° |
| CAW | CAX | CAV | HAV1 | 117.1° | 60.0° |
| CAW | CAX | CAV | HAV2 | 3.8° | 60.0° |
| CAX | CAV | CAU | HAV1 | 119.6° | 119.9° |
| CAX | CAV | CAU | HAV2 | 119.5° | 120.1° |
| CAX | CAV | CAU | NAQ | 150.8° | 180.0° |
| CAV | CAX | CAW | HAW1 | 180.0° | 180.0° |
| CAV | CAX | CAW | HAW2 | 60.0° | 60.0° |
| CAV | CAX | CAW | HAW3 | 60.0° | 60.1° |
| CAV | CAX | HAX1 | HAX2 | 119.8° | 120.0° |
| CAX | CAV | HAV1 | HAV2 | 121.2° | 120.0° |
| CAX | CAV | CAU | HAU1 | 29.4° | 60.1° |
| CAX | CAV | CAU | HAU2 | 87.8° | 59.9° |
| CAV | CAU | NAQ | HAU1 | 121.4° | 119.9° |
| CAV | CAU | NAQ | HAU2 | 121.4° | 120.0° |
| CAV | CAU | NAQ | CAR | 155.6° | 90.0° |
| CAV | CAU | NAQ | CAP | 24.9° | 90.3° |
| CAU | CAV | CAX | HAX1 | 3.3° | 60.1° |
| CAU | CAV | CAX | HAX2 | 116.6° | 60.0° |
| CAU | CAV | HAV1 | HAV2 | 121.3° | 120.0° |
| CAV | CAU | HAU1 | HAU2 | 115.6° | 120.0° |
| CAU | NAQ | CAR | CAP | 179.5° | 179.7° |
| CAU | NAQ | CAR | NAS | 2.7° | 0.0° |
| CAU | NAQ | CAR | CAI | 179.5° | 179.9° |
| CAU | NAQ | CAP | OAO | 0.7° | 0.0° |
| CAU | NAQ | CAP | NAG | 179.0° | 180.0° |
| NAQ | CAU | CAV | HAV1 | 89.6° | 60.1° |
| NAQ | CAU | CAV | HAV2 | 31.3° | 60.0° |
| NAQ | CAU | HAU1 | HAU2 | 115.6° | 120.1° |
| NAQ | CAR | NAS | CAI | 177.1° | 179.9° |
| CAR | NAQ | CAP | OAO | 178.8° | 179.7° |
| CAR | NAQ | CAP | NAG | 0.5° | 0.3° |
| NAQ | CAR | CAI | CAH | 2.0° | 0.1° |
| NAQ | CAR | CAI | NAJ | 178.3° | 179.9° |
| CAR | NAQ | CAU | HAU1 | 34.2° | 30.0° |
| CAR | NAQ | CAU | HAU2 | 83.0° | 150.0° |
| NAQ | CAR | NAS | HAS1 | 180.0° | 7.1° |
| NAQ | CAR | NAS | HAS2 | 60.0° | 172.8° |
| CAP | NAQ | CAR | NAS | 177.8° | 179.7° |
| CAP | NAQ | CAR | CAI | 1.0° | 0.2° |
| NAQ | CAP | OAO | NAG | 178.3° | 180.0° |
| NAQ | CAP | NAG | CAH | 1.0° | 0.0° |
| CAP | NAQ | CAU | HAU1 | 146.3° | 149.7° |
| CAP | NAQ | CAU | HAU2 | 96.5° | 29.7° |
| NAQ | CAP | NAG | HAG | 179.0° | 180.0° |
| NAS | CAR | CAI | CAH | 179.1° | 180.0° |
| NAS | CAR | CAI | NAJ | 4.6° | 0.2° |
| CAR | NAS | HAS1 | HAS2 | 120.0° | 179.9° |
| CAR | CAI | CAH | NAG | 1.4° | 0.3° |
| CAR | CAI | CAH | OAA | 179.2° | 179.9° |
| CAR | CAI | CAH | NAJ | 176.1° | 179.9° |
| CAR | CAI | NAJ | CAB | 81.4° | 115.7° |
| CAR | CAI | NAJ | CAK | 98.5° | 64.3° |
| CAI | CAR | NAS | HAS1 | 2.9° | 172.8° |
| CAI | CAR | NAS | HAS2 | 117.1° | 7.3° |
| OAO | CAP | NAG | CAH | 179.3° | 180.0° |
| OAO | CAP | NAG | HAG | 0.7° | 0.0° |
| CAP | NAG | CAH | HAG | 180.0° | 180.0° |
| CAP | NAG | CAH | OAA | 177.7° | 179.9° |
| CAP | NAG | CAH | CAI | 0.0° | 0.3° |
| NAG | CAH | OAA | CAI | 177.6° | 179.8° |
| NAG | CAH | CAI | NAJ | 177.5° | 179.8° |
| OAA | CAH | CAI | NAJ | 4.7° | 0.0° |
| OAA | CAH | NAG | HAG | 2.3° | 0.1° |
| CAH | CAI | NAJ | CAB | 94.8° | 64.2° |
| CAH | CAI | NAJ | CAK | 85.3° | 115.8° |
| CAI | CAH | NAG | HAG | 180.0° | 179.7° |
| CAI | NAJ | CAB | CAK | 179.9° | 180.0° |
| CAI | NAJ | CAK | CAN | 3.5° | 4.3° |
| CAI | NAJ | CAK | OAT | 179.5° | 175.7° |
| CAI | NAJ | CAB | HAB1 | 180.0° | 92.8° |
| CAI | NAJ | CAB | HAB2 | 60.0° | 147.3° |
| CAI | NAJ | CAB | HAB3 | 60.0° | 27.2° |
| CAB | NAJ | CAK | CAN | 176.6° | 175.7° |
| CAB | NAJ | CAK | OAT | 0.6° | 4.3° |
| NAJ | CAB | HAB1 | HAB2 | 120.0° | 119.9° |
| NAJ | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| NAJ | CAB | HAB2 | HAB3 | 120.0° | 120.1° |
| NAJ | CAK | CAN | CAM | 42.2° | 151.0° |
| NAJ | CAK | CAN | CAF | 140.7° | 29.2° |
| NAJ | CAK | CAN | OAT | 175.9° | 180.0° |
| CAK | NAJ | CAB | HAB1 | 0.1° | 87.2° |
| CAK | NAJ | CAB | HAB2 | 119.9° | 32.7° |
| CAK | NAJ | CAB | HAB3 | 120.1° | 152.8° |
| CAM | CAL | CAD | HAL | 180.0° | 179.9° |
| CAL | CAM | CAN | HAM | 180.0° | 180.0° |
| CAL | CAM | CAN | CAF | 0.4° | 0.2° |
| CAL | CAM | CAN | CAK | 177.6° | 180.0° |
| CAM | CAL | CAD | CAE | 0.2° | 0.0° |
| CAM | CAL | CAD | HAD | 179.8° | 179.9° |
| CAD | CAL | CAM | CAN | 0.5° | 0.1° |
| CAL | CAD | CAE | CAF | 0.1° | 0.2° |
| CAL | CAD | CAE | HAD | 180.0° | 180.0° |
| CAD | CAL | CAM | HAM | 179.5° | 179.9° |
| CAL | CAD | CAE | HAE | 179.9° | 179.9° |
| CAM | CAN | CAF | CAK | 177.4° | 179.8° |
| CAM | CAN | CAF | CAE | 0.0° | 0.5° |
| CAM | CAN | CAK | OAT | 141.9° | 29.0° |
| CAN | CAM | CAL | HAL | 179.4° | 179.9° |
| CAM | CAN | CAF | HAF | 180.0° | 180.0° |
| CAN | CAF | CAE | HAF | 180.0° | 179.6° |
| CAN | CAF | CAE | CAD | 0.2° | 0.5° |
| CAF | CAN | CAK | OAT | 35.3° | 150.8° |
| CAF | CAN | CAM | HAM | 179.6° | 179.8° |
| CAN | CAF | CAE | HAE | 179.8° | 179.8° |
| CAK | CAN | CAF | CAE | 177.5° | 179.7° |
| CAK | CAN | CAM | HAM | 2.4° | 0.1° |
| CAK | CAN | CAF | HAF | 2.5° | 0.2° |
| CAF | CAE | CAD | HAE | 180.0° | 179.7° |
| CAF | CAE | CAD | HAD | 179.9° | 179.8° |
| CAE | CAD | CAL | HAL | 179.7° | 179.9° |
| CAD | CAE | CAF | HAF | 179.8° | 179.9° |
| HAW1 | CAW | HAW2 | HAW3 | 119.9° | 120.0° |
| HAW1 | CAW | CAX | HAX1 | 59.9° | 60.1° |
| HAW1 | CAW | CAX | HAX2 | 59.9° | 60.0° |
| HAW2 | CAW | CAX | HAX1 | 60.1° | 59.9° |
| HAW2 | CAW | CAX | HAX2 | 179.9° | 180.0° |
| HAW3 | CAW | CAX | HAX1 | 179.9° | 180.0° |
| HAW3 | CAW | CAX | HAX2 | 60.1° | 60.0° |
| HAX1 | CAX | CAV | HAV1 | 122.8° | 180.0° |
| HAX1 | CAX | CAV | HAV2 | 116.3° | 60.0° |
| HAX2 | CAX | CAV | HAV1 | 2.9° | 60.0° |
| HAX2 | CAX | CAV | HAV2 | 123.8° | NaN° |
| HAV1 | CAV | CAU | HAU1 | 149.0° | 180.0° |
| HAV1 | CAV | CAU | HAU2 | 31.7° | 60.0° |
| HAV2 | CAV | CAU | HAU1 | 90.1° | 60.0° |
| HAV2 | CAV | CAU | HAU2 | 152.6° | 180.0° |
| HAB1 | CAB | HAB2 | HAB3 | 119.9° | 120.0° |
| HAL | CAL | CAM | HAM | 0.6° | 0.0° |
| HAL | CAL | CAD | HAD | 0.3° | 0.0° |
| HAD | CAD | CAE | HAE | 0.1° | 0.1° |
| HAF | CAF | CAE | HAE | 0.2° | 0.3° |
