YIQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAU | CAV | sing | 1.39Å | 1.41Å | Aromatic |
| CAU | CAT | doub | 1.38Å | 1.40Å | Aromatic |
| CAV | NAG | sing | 1.38Å | 1.33Å | Aromatic |
| CAV | CAW | doub | 1.41Å | 1.40Å | Aromatic |
| NAG | CAZ | sing | 1.37Å | 1.34Å | Aromatic |
| CAZ | CBA | doub | 1.34Å | 1.34Å | Aromatic |
| CBA | CAW | sing | 1.46Å | 1.34Å | Aromatic |
| CAW | CAX | sing | 1.40Å | 1.40Å | Aromatic |
| CAX | CAY | doub | 1.37Å | 1.40Å | Aromatic |
| CAY | CAT | sing | 1.39Å | 1.41Å | Aromatic |
| CAT | NAF | sing | 1.40Å | 1.35Å | |
| NAF | CAS | sing | 1.35Å | 1.34Å | |
| CAS | OBB | doub | 1.22Å | 1.23Å | |
| CAS | CAQ | sing | 1.47Å | 1.53Å | |
| CAQ | NAE | sing | 1.38Å | 1.34Å | Aromatic |
| CAQ | CAR | doub | 1.36Å | 1.35Å | Aromatic |
| NAE | CAN | sing | 1.37Å | 1.35Å | Aromatic |
| CAR | CAO | sing | 1.42Å | 1.35Å | Aromatic |
| CAO | CAP | doub | 1.40Å | 1.40Å | Aromatic |
| CAO | CAN | sing | 1.41Å | 1.40Å | Aromatic |
| CAP | CAK | sing | 1.39Å | 1.41Å | Aromatic |
| CAN | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAM | CAL | sing | 1.36Å | 1.40Å | Aromatic |
| CAL | CAK | doub | 1.40Å | 1.41Å | Aromatic |
| CAK | CAI | sing | 1.47Å | 1.42Å | |
| CAI | CAJ | sing | 1.51Å | 1.54Å | |
| CAI | NAD | doub | 1.30Å | 1.35Å | |
| NAD | NAC | sing | 1.40Å | 1.25Å | |
| NAC | CAH | sing | 1.38Å | 1.34Å | |
| CAH | NAB | sing | 1.38Å | 1.32Å | |
| CAH | NAA | doub | 1.30Å | 1.34Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| NAG | HAG | sing | 0.97Å | 1.00Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| NAF | HAF | sing | 0.97Å | 1.00Å | |
| NAE | HAE | sing | 0.97Å | 1.00Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ3 | sing | 1.09Å | 1.10Å | |
| NAB | HAB1 | sing | 0.97Å | 1.00Å | |
| NAB | HAB2 | sing | 0.97Å | 1.00Å | |
| NAA | HAA | sing | 0.97Å | 1.00Å | |
| NAC | HAC | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | CAU | CAT | 119.0° | 119.7° |
| CAU | CAV | NAG | 132.3° | 133.4° |
| CAU | CAV | CAW | 120.5° | 119.4° |
| CAV | CAU | HAU | 120.5° | 120.1° |
| CAU | CAT | CAY | 120.6° | 120.5° |
| CAU | CAT | NAF | 122.1° | 119.7° |
| CAT | CAU | HAU | 120.5° | 120.2° |
| NAG | CAV | CAW | 107.3° | 107.2° |
| CAV | NAG | CAZ | 107.9° | 109.8° |
| CAV | NAG | HAG | 126.0° | 125.1° |
| CAV | CAW | CBA | 107.3° | 106.0° |
| CAV | CAW | CAX | 120.4° | 120.0° |
| NAG | CAZ | CBA | 109.8° | 109.9° |
| CAZ | NAG | HAG | 126.0° | 125.1° |
| NAG | CAZ | HAZ | 125.1° | 125.1° |
| CAZ | CBA | CAW | 107.7° | 107.0° |
| CBA | CAZ | HAZ | 125.1° | 125.0° |
| CAZ | CBA | HBA | 126.1° | 126.5° |
| CBA | CAW | CAX | 132.4° | 134.0° |
| CAW | CBA | HBA | 126.1° | 126.5° |
| CAW | CAX | CAY | 119.9° | 119.9° |
| CAW | CAX | HAX | 120.1° | 120.1° |
| CAX | CAY | CAT | 119.7° | 120.4° |
| CAY | CAX | HAX | 120.0° | 120.0° |
| CAX | CAY | HAY | 120.1° | 119.8° |
| CAY | CAT | NAF | 117.3° | 119.8° |
| CAT | CAY | HAY | 120.2° | 119.7° |
| CAT | NAF | CAS | 126.8° | 120.0° |
| CAT | NAF | HAF | 116.6° | 119.9° |
| NAF | CAS | OBB | 125.5° | 120.0° |
| NAF | CAS | CAQ | 112.3° | 120.0° |
| CAS | NAF | HAF | 116.6° | 120.0° |
| OBB | CAS | CAQ | 121.5° | 119.9° |
| CAS | CAQ | NAE | 123.0° | 125.4° |
| CAS | CAQ | CAR | 125.4° | 125.4° |
| NAE | CAQ | CAR | 111.5° | 109.2° |
| CAQ | NAE | CAN | 106.3° | 108.8° |
| CAQ | NAE | HAE | 126.8° | 125.6° |
| CAQ | CAR | CAO | 106.5° | 107.7° |
| CAQ | CAR | HAR | 126.7° | 126.2° |
| NAE | CAN | CAO | 107.8° | 107.3° |
| NAE | CAN | CAM | 132.4° | 132.9° |
| CAN | NAE | HAE | 126.8° | 125.6° |
| CAR | CAO | CAP | 131.8° | 133.3° |
| CAR | CAO | CAN | 107.8° | 107.0° |
| CAO | CAR | HAR | 126.7° | 126.2° |
| CAP | CAO | CAN | 120.4° | 119.7° |
| CAO | CAP | CAK | 120.7° | 119.5° |
| CAO | CAP | HAP | 119.6° | 120.3° |
| CAO | CAN | CAM | 119.7° | 119.8° |
| CAP | CAK | CAL | 118.2° | 120.1° |
| CAP | CAK | CAI | 121.6° | 119.9° |
| CAK | CAP | HAP | 119.7° | 120.3° |
| CAN | CAM | CAL | 119.7° | 120.3° |
| CAN | CAM | HAM | 120.1° | 119.9° |
| CAM | CAL | CAK | 121.3° | 120.7° |
| CAL | CAM | HAM | 120.2° | 119.9° |
| CAM | CAL | HAL | 119.4° | 119.7° |
| CAL | CAK | CAI | 120.1° | 120.0° |
| CAK | CAL | HAL | 119.4° | 119.7° |
| CAK | CAI | CAJ | 122.0° | 120.0° |
| CAK | CAI | NAD | 117.4° | 120.0° |
| CAJ | CAI | NAD | 120.6° | 120.0° |
| CAI | CAJ | HAJ1 | 109.5° | 109.5° |
| CAI | CAJ | HAJ2 | 109.5° | 109.5° |
| CAI | CAJ | HAJ3 | 109.5° | 109.5° |
| CAI | NAD | NAC | 125.5° | 120.0° |
| NAD | NAC | CAH | 120.0° | 120.0° |
| NAD | NAC | HAC | 120.0° | 120.0° |
| NAC | CAH | NAB | 120.8° | 120.0° |
| NAC | CAH | NAA | 120.3° | 120.0° |
| CAH | NAC | HAC | 120.0° | 120.0° |
| NAB | CAH | NAA | 118.8° | 120.0° |
| CAH | NAB | HAB1 | 120.0° | 119.9° |
| CAH | NAB | HAB2 | 120.0° | 120.0° |
| CAH | NAA | HAA | 112.0° | 120.0° |
| HAJ1 | CAJ | HAJ2 | 109.4° | 109.4° |
| HAJ1 | CAJ | HAJ3 | 109.4° | 109.4° |
| HAJ2 | CAJ | HAJ3 | 109.5° | 109.4° |
| HAB1 | NAB | HAB2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | CAU | CAT | HAU | 180.0° | 179.6° |
| CAU | CAV | NAG | CAW | 179.6° | 179.8° |
| CAU | CAV | NAG | CAZ | 180.0° | 179.9° |
| CAU | CAV | CAW | CBA | 179.9° | 179.9° |
| CAU | CAV | CAW | CAX | 0.4° | 0.1° |
| CAV | CAU | CAT | CAY | 0.5° | 0.1° |
| CAV | CAU | CAT | NAF | 179.4° | 179.9° |
| CAU | CAV | NAG | HAG | 0.1° | 0.1° |
| CAT | CAU | CAV | NAG | 179.9° | 180.0° |
| CAT | CAU | CAV | CAW | 0.5° | 0.1° |
| CAU | CAT | CAY | CAX | 0.5° | 0.1° |
| CAU | CAT | CAY | NAF | 179.9° | 179.9° |
| CAU | CAT | NAF | CAS | 17.0° | 33.6° |
| CAU | CAT | CAY | HAY | 179.5° | 180.0° |
| CAU | CAT | NAF | HAF | 163.0° | 146.5° |
| CAV | NAG | CAZ | HAG | 180.0° | 180.0° |
| CAV | NAG | CAZ | CBA | 0.2° | 0.0° |
| NAG | CAV | CAW | CBA | 0.4° | 0.1° |
| NAG | CAV | CAW | CAX | 179.9° | 179.9° |
| NAG | CAV | CAU | HAU | 0.0° | 0.5° |
| CAV | NAG | CAZ | HAZ | 179.8° | 179.9° |
| CAW | CAV | NAG | CAZ | 0.3° | 0.1° |
| CAV | CAW | CBA | CAZ | 0.2° | 0.1° |
| CAV | CAW | CBA | CAX | 179.5° | 180.0° |
| CAV | CAW | CAX | CAY | 0.4° | 0.0° |
| CAW | CAV | CAU | HAU | 179.6° | 179.7° |
| CAW | CAV | NAG | HAG | 179.7° | 180.0° |
| CAV | CAW | CBA | HBA | 179.8° | 179.9° |
| CAV | CAW | CAX | HAX | 179.6° | 180.0° |
| NAG | CAZ | CBA | HAZ | 180.0° | 179.9° |
| NAG | CAZ | CBA | CAW | 0.0° | 0.0° |
| NAG | CAZ | CBA | HBA | 180.0° | 180.0° |
| CAZ | CBA | CAW | HBA | 180.0° | 180.0° |
| CAZ | CBA | CAW | CAX | 179.7° | 180.0° |
| CBA | CAZ | NAG | HAG | 179.8° | 180.0° |
| CBA | CAW | CAX | CAY | 179.8° | 180.0° |
| CAW | CBA | CAZ | HAZ | 180.0° | 180.0° |
| CBA | CAW | CAX | HAX | 0.2° | 0.0° |
| CAW | CAX | CAY | HAX | 180.0° | 180.0° |
| CAW | CAX | CAY | CAT | 0.4° | 0.0° |
| CAX | CAW | CBA | HBA | 0.3° | 0.0° |
| CAW | CAX | CAY | HAY | 179.6° | 180.0° |
| CAX | CAY | CAT | HAY | 180.0° | 179.9° |
| CAX | CAY | CAT | NAF | 179.4° | 180.0° |
| CAY | CAT | NAF | CAS | 162.9° | 146.4° |
| CAY | CAT | CAU | HAU | 179.5° | 179.7° |
| CAT | CAY | CAX | HAX | 179.6° | 180.0° |
| CAY | CAT | NAF | HAF | 17.1° | 33.6° |
| CAT | NAF | CAS | HAF | 180.0° | 179.9° |
| CAT | NAF | CAS | OBB | 6.3° | 5.3° |
| CAT | NAF | CAS | CAQ | 177.2° | 174.8° |
| NAF | CAT | CAU | HAU | 0.6° | 0.4° |
| NAF | CAT | CAY | HAY | 0.6° | 0.1° |
| NAF | CAS | OBB | CAQ | 170.0° | 180.0° |
| NAF | CAS | CAQ | NAE | 14.9° | 0.0° |
| NAF | CAS | CAQ | CAR | 160.4° | 179.7° |
| OBB | CAS | CAQ | NAE | 173.8° | 180.0° |
| OBB | CAS | CAQ | CAR | 10.9° | 0.3° |
| OBB | CAS | NAF | HAF | 173.6° | 174.7° |
| CAS | CAQ | NAE | CAR | 175.9° | 179.7° |
| CAS | CAQ | NAE | CAN | 177.2° | 180.0° |
| CAS | CAQ | CAR | CAO | 177.4° | 180.0° |
| CAQ | CAS | NAF | HAF | 2.8° | 5.3° |
| CAS | CAQ | NAE | HAE | 2.8° | 0.0° |
| CAS | CAQ | CAR | HAR | 2.6° | 0.1° |
| CAQ | NAE | CAN | HAE | 180.0° | 180.0° |
| NAE | CAQ | CAR | CAO | 1.7° | 0.2° |
| CAQ | NAE | CAN | CAO | 0.5° | 0.2° |
| CAQ | NAE | CAN | CAM | 178.8° | 180.0° |
| NAE | CAQ | CAR | HAR | 178.3° | 179.8° |
| CAR | CAQ | NAE | CAN | 1.3° | 0.3° |
| CAQ | CAR | CAO | HAR | 180.0° | 180.0° |
| CAQ | CAR | CAO | CAP | 179.7° | 179.9° |
| CAQ | CAR | CAO | CAN | 1.3° | 0.1° |
| CAR | CAQ | NAE | HAE | 178.6° | 179.8° |
| NAE | CAN | CAO | CAR | 0.5° | 0.0° |
| NAE | CAN | CAO | CAP | 179.1° | 179.9° |
| NAE | CAN | CAO | CAM | 179.4° | 179.9° |
| NAE | CAN | CAM | CAL | 179.8° | 180.0° |
| NAE | CAN | CAM | HAM | 0.3° | 0.0° |
| CAR | CAO | CAP | CAN | 178.2° | 179.9° |
| CAR | CAO | CAP | CAK | 179.2° | 180.0° |
| CAR | CAO | CAN | CAM | 179.9° | 179.9° |
| CAR | CAO | CAP | HAP | 0.8° | 0.1° |
| CAO | CAP | CAK | HAP | 180.0° | 179.9° |
| CAP | CAO | CAN | CAM | 1.5° | 0.1° |
| CAO | CAP | CAK | CAL | 0.1° | 0.2° |
| CAO | CAP | CAK | CAI | 180.0° | 180.0° |
| CAP | CAO | CAR | HAR | 0.3° | 0.0° |
| CAN | CAO | CAP | CAK | 1.0° | 0.1° |
| CAO | CAN | CAM | CAL | 1.0° | 0.2° |
| CAO | CAN | NAE | HAE | 179.5° | 179.9° |
| CAN | CAO | CAR | HAR | 178.7° | 179.9° |
| CAN | CAO | CAP | HAP | 178.9° | 179.8° |
| CAO | CAN | CAM | HAM | 179.0° | 179.8° |
| CAP | CAK | CAL | CAM | 0.4° | 0.1° |
| CAP | CAK | CAL | CAI | 180.0° | 179.8° |
| CAP | CAK | CAI | CAJ | 28.5° | 180.0° |
| CAP | CAK | CAI | NAD | 149.4° | 0.1° |
| CAP | CAK | CAL | HAL | 179.6° | 179.9° |
| CAN | CAM | CAL | HAM | 180.0° | 180.0° |
| CAN | CAM | CAL | CAK | 0.1° | 0.1° |
| CAM | CAN | NAE | HAE | 1.2° | 0.0° |
| CAN | CAM | CAL | HAL | 179.9° | 180.0° |
| CAM | CAL | CAK | HAL | 180.0° | 179.9° |
| CAM | CAL | CAK | CAI | 179.6° | 179.9° |
| CAL | CAK | CAI | CAJ | 151.6° | 0.2° |
| CAL | CAK | CAI | NAD | 30.5° | 179.7° |
| CAL | CAK | CAP | HAP | 179.9° | 179.7° |
| CAK | CAL | CAM | HAM | 179.9° | 179.9° |
| CAK | CAI | CAJ | NAD | 177.8° | 179.9° |
| CAK | CAI | NAD | NAC | 179.5° | 180.0° |
| CAI | CAK | CAP | HAP | 0.1° | 0.1° |
| CAI | CAK | CAL | HAL | 0.4° | 0.0° |
| CAK | CAI | CAJ | HAJ1 | 180.0° | 90.0° |
| CAK | CAI | CAJ | HAJ2 | 60.0° | 150.0° |
| CAK | CAI | CAJ | HAJ3 | 60.0° | 30.0° |
| CAJ | CAI | NAD | NAC | 2.6° | 0.0° |
| CAI | CAJ | HAJ1 | HAJ2 | 120.0° | 120.0° |
| CAI | CAJ | HAJ1 | HAJ3 | 120.0° | 120.0° |
| CAI | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
| CAI | NAD | NAC | CAH | 179.2° | 179.9° |
| NAD | CAI | CAJ | HAJ1 | 2.2° | 90.0° |
| NAD | CAI | CAJ | HAJ2 | 122.2° | 30.0° |
| NAD | CAI | CAJ | HAJ3 | 117.8° | 150.0° |
| CAI | NAD | NAC | HAC | 0.8° | 0.0° |
| NAD | NAC | CAH | HAC | 180.0° | 179.9° |
| NAD | NAC | CAH | NAB | 177.2° | 180.0° |
| NAD | NAC | CAH | NAA | 0.9° | 0.1° |
| NAC | CAH | NAB | NAA | 176.4° | 179.9° |
| NAC | CAH | NAB | HAB1 | 176.4° | 0.0° |
| NAC | CAH | NAB | HAB2 | 3.6° | 180.0° |
| NAC | CAH | NAA | HAA | 176.4° | 180.0° |
| CAH | NAB | HAB1 | HAB2 | 180.0° | 180.0° |
| NAB | CAH | NAA | HAA | 0.0° | 0.0° |
| NAB | CAH | NAC | HAC | 2.8° | 0.1° |
| NAA | CAH | NAB | HAB1 | 0.0° | 179.9° |
| NAA | CAH | NAB | HAB2 | 180.0° | 0.0° |
| NAA | CAH | NAC | HAC | 179.1° | 180.0° |
| HAG | NAG | CAZ | HAZ | 0.2° | 0.1° |
| HAZ | CAZ | CBA | HBA | 0.0° | 0.0° |
| HAX | CAX | CAY | HAY | 0.4° | 0.0° |
| HAM | CAM | CAL | HAL | 0.1° | 0.0° |
| HAJ1 | CAJ | HAJ2 | HAJ3 | 120.0° | 119.9° |
