V02
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAU | sing | 1.53Å | 1.48Å | |
| CAU | CAV | sing | 1.51Å | 1.48Å | |
| CAV | CAQ | doub | 1.38Å | 1.36Å | Aromatic |
| CAV | CAK | sing | 1.38Å | 1.36Å | Aromatic |
| CAQ | CAY | sing | 1.38Å | 1.37Å | Aromatic |
| CAK | CAJ | doub | 1.38Å | 1.36Å | Aromatic |
| CAJ | CAP | sing | 1.38Å | 1.36Å | Aromatic |
| CAP | CAY | doub | 1.38Å | 1.36Å | Aromatic |
| CAY | CAZ | sing | 1.51Å | 1.52Å | |
| CAZ | CAX | sing | 1.51Å | 1.50Å | |
| CAZ | SAT | sing | 1.81Å | 1.77Å | |
| CAZ | CAW | sing | 1.51Å | 1.49Å | |
| CAX | CAN | doub | 1.38Å | 1.37Å | Aromatic |
| CAX | CAO | sing | 1.38Å | 1.36Å | Aromatic |
| CAN | CAH | sing | 1.38Å | 1.37Å | Aromatic |
| CAH | CAE | doub | 1.38Å | 1.37Å | Aromatic |
| CAE | CAI | sing | 1.38Å | 1.37Å | Aromatic |
| CAI | CAO | doub | 1.38Å | 1.37Å | Aromatic |
| SAT | CAS | sing | 1.81Å | 1.83Å | |
| CAS | CAR | sing | 1.53Å | 1.53Å | |
| CAR | NAB | sing | 1.47Å | 1.46Å | |
| CAW | CAL | sing | 1.38Å | 1.36Å | Aromatic |
| CAW | CAM | doub | 1.38Å | 1.36Å | Aromatic |
| CAL | CAF | doub | 1.39Å | 1.37Å | Aromatic |
| CAF | CAD | sing | 1.39Å | 1.36Å | Aromatic |
| CAF | OAC | sing | 1.36Å | 1.34Å | |
| CAD | CAG | doub | 1.38Å | 1.37Å | Aromatic |
| CAG | CAM | sing | 1.38Å | 1.37Å | Aromatic |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAU | HAU1 | sing | 1.09Å | 1.10Å | |
| CAU | HAU2 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAS | HAS1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS2 | sing | 1.09Å | 1.10Å | |
| CAR | HAR1 | sing | 1.09Å | 1.10Å | |
| CAR | HAR2 | sing | 1.09Å | 1.10Å | |
| NAB | HAB1 | sing | 1.01Å | 1.00Å | |
| NAB | HAB2 | sing | 1.01Å | 1.00Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAU | CAV | 108.5° | 109.5° |
| CAU | CAA | HAA1 | 109.5° | 109.5° |
| CAU | CAA | HAA2 | 109.5° | 109.5° |
| CAU | CAA | HAA3 | 109.4° | 109.5° |
| CAA | CAU | HAU1 | 109.7° | 109.5° |
| CAA | CAU | HAU2 | 109.7° | 109.4° |
| CAU | CAV | CAQ | 120.6° | 120.0° |
| CAU | CAV | CAK | 117.9° | 120.0° |
| CAV | CAU | HAU1 | 109.7° | 109.5° |
| CAV | CAU | HAU2 | 109.7° | 109.5° |
| CAQ | CAV | CAK | 121.5° | 120.0° |
| CAV | CAQ | CAY | 118.1° | 120.0° |
| CAV | CAQ | HAQ | 120.9° | 120.0° |
| CAV | CAK | CAJ | 120.2° | 120.0° |
| CAV | CAK | HAK | 119.9° | 119.9° |
| CAQ | CAY | CAP | 120.3° | 120.0° |
| CAQ | CAY | CAZ | 123.7° | 120.0° |
| CAY | CAQ | HAQ | 121.0° | 120.1° |
| CAK | CAJ | CAP | 118.8° | 120.0° |
| CAJ | CAK | HAK | 119.9° | 120.0° |
| CAK | CAJ | HAJ | 120.6° | 120.0° |
| CAJ | CAP | CAY | 121.1° | 120.0° |
| CAP | CAJ | HAJ | 120.6° | 120.0° |
| CAJ | CAP | HAP | 119.4° | 120.0° |
| CAP | CAY | CAZ | 116.1° | 120.0° |
| CAY | CAP | HAP | 119.5° | 120.1° |
| CAY | CAZ | CAX | 118.7° | 109.4° |
| CAY | CAZ | SAT | 107.3° | 109.5° |
| CAY | CAZ | CAW | 113.7° | 109.5° |
| CAX | CAZ | SAT | 99.1° | 109.4° |
| CAX | CAZ | CAW | 111.0° | 109.5° |
| CAZ | CAX | CAN | 116.5° | 120.0° |
| CAZ | CAX | CAO | 122.6° | 120.0° |
| SAT | CAZ | CAW | 105.0° | 109.5° |
| CAZ | SAT | CAS | 100.7° | 103.0° |
| CAZ | CAW | CAL | 117.6° | 120.0° |
| CAZ | CAW | CAM | 122.3° | 120.0° |
| CAN | CAX | CAO | 120.8° | 120.0° |
| CAX | CAN | CAH | 120.5° | 120.0° |
| CAX | CAN | HAN | 119.7° | 120.0° |
| CAX | CAO | CAI | 118.8° | 119.9° |
| CAX | CAO | HAO | 120.6° | 120.0° |
| CAN | CAH | CAE | 118.9° | 120.0° |
| CAH | CAN | HAN | 119.8° | 120.0° |
| CAN | CAH | HAH | 120.5° | 120.0° |
| CAH | CAE | CAI | 120.5° | 120.0° |
| CAE | CAH | HAH | 120.6° | 119.9° |
| CAH | CAE | HAE | 119.7° | 120.0° |
| CAE | CAI | CAO | 120.5° | 120.0° |
| CAI | CAE | HAE | 119.8° | 120.0° |
| CAE | CAI | HAI | 119.8° | 120.0° |
| CAI | CAO | HAO | 120.6° | 120.0° |
| CAO | CAI | HAI | 119.8° | 120.0° |
| SAT | CAS | CAR | 115.7° | 109.5° |
| SAT | CAS | HAS1 | 107.9° | 109.5° |
| SAT | CAS | HAS2 | 107.9° | 109.5° |
| CAS | CAR | NAB | 108.8° | 109.5° |
| CAR | CAS | HAS1 | 107.9° | 109.4° |
| CAR | CAS | HAS2 | 107.9° | 109.5° |
| CAS | CAR | HAR1 | 109.6° | 109.4° |
| CAS | CAR | HAR2 | 109.6° | 109.5° |
| NAB | CAR | HAR1 | 109.6° | 109.5° |
| NAB | CAR | HAR2 | 109.7° | 109.5° |
| CAR | NAB | HAB1 | 109.5° | 111.0° |
| CAR | NAB | HAB2 | 109.5° | 111.0° |
| CAL | CAW | CAM | 120.2° | 120.0° |
| CAW | CAL | CAF | 120.2° | 120.0° |
| CAW | CAL | HAL | 119.9° | 119.9° |
| CAW | CAM | CAG | 119.5° | 120.1° |
| CAW | CAM | HAM | 120.3° | 119.9° |
| CAL | CAF | CAD | 120.2° | 119.9° |
| CAL | CAF | OAC | 119.9° | 120.1° |
| CAF | CAL | HAL | 119.9° | 120.1° |
| CAD | CAF | OAC | 119.9° | 120.0° |
| CAF | CAD | CAG | 119.3° | 120.0° |
| CAF | CAD | HAD | 120.4° | 120.0° |
| CAF | OAC | HAC | 109.5° | 114.0° |
| CAD | CAG | CAM | 120.6° | 120.0° |
| CAG | CAD | HAD | 120.4° | 120.0° |
| CAD | CAG | HAG | 119.7° | 120.0° |
| CAG | CAM | HAM | 120.2° | 119.9° |
| CAM | CAG | HAG | 119.7° | 120.0° |
| HAA1 | CAA | HAA2 | 109.4° | 109.4° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAU1 | CAU | HAU2 | 109.5° | 109.5° |
| HAS1 | CAS | HAS2 | 109.5° | 109.5° |
| HAR1 | CAR | HAR2 | 109.5° | 109.4° |
| HAB1 | NAB | HAB2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAU | CAV | HAU1 | 119.8° | 120.0° |
| CAA | CAU | CAV | HAU2 | 119.8° | 120.0° |
| CAA | CAU | CAV | CAQ | 54.2° | 90.0° |
| CAA | CAU | CAV | CAK | 125.5° | 89.7° |
| CAU | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAU | CAA | HAA1 | HAA3 | 120.0° | 120.1° |
| CAU | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| CAA | CAU | HAU1 | HAU2 | 120.4° | 120.0° |
| CAU | CAV | CAQ | CAK | 179.7° | 179.8° |
| CAU | CAV | CAQ | CAY | 179.4° | 180.0° |
| CAU | CAV | CAK | CAJ | 179.4° | 180.0° |
| CAV | CAU | CAA | HAA1 | 180.0° | 60.0° |
| CAV | CAU | CAA | HAA2 | 60.0° | 59.9° |
| CAV | CAU | CAA | HAA3 | 60.0° | 180.0° |
| CAV | CAU | HAU1 | HAU2 | 120.5° | 120.0° |
| CAU | CAV | CAQ | HAQ | 0.7° | 0.1° |
| CAU | CAV | CAK | HAK | 0.6° | 0.0° |
| CAV | CAQ | CAY | HAQ | 180.0° | 179.9° |
| CAQ | CAV | CAK | CAJ | 0.9° | 0.2° |
| CAV | CAQ | CAY | CAP | 1.1° | 0.0° |
| CAV | CAQ | CAY | CAZ | 178.9° | 179.9° |
| CAQ | CAV | CAU | HAU1 | 174.0° | 30.0° |
| CAQ | CAV | CAU | HAU2 | 65.7° | 150.0° |
| CAQ | CAV | CAK | HAK | 179.1° | 179.8° |
| CAK | CAV | CAQ | CAY | 1.0° | 0.2° |
| CAV | CAK | CAJ | HAK | 180.0° | 180.0° |
| CAV | CAK | CAJ | CAP | 0.9° | 0.0° |
| CAK | CAV | CAU | HAU1 | 5.7° | 150.3° |
| CAK | CAV | CAU | HAU2 | 114.6° | 30.3° |
| CAK | CAV | CAQ | HAQ | 179.0° | 179.6° |
| CAV | CAK | CAJ | HAJ | 179.1° | 180.0° |
| CAQ | CAY | CAP | CAJ | 1.2° | 0.3° |
| CAQ | CAY | CAP | CAZ | 180.0° | 179.9° |
| CAQ | CAY | CAZ | CAX | 14.8° | 54.4° |
| CAQ | CAY | CAZ | SAT | 96.2° | 174.3° |
| CAQ | CAY | CAZ | CAW | 148.2° | 65.6° |
| CAQ | CAY | CAP | HAP | 178.9° | 180.0° |
| CAK | CAJ | CAP | HAJ | 180.0° | 180.0° |
| CAK | CAJ | CAP | CAY | 1.0° | 0.3° |
| CAK | CAJ | CAP | HAP | 179.0° | 180.0° |
| CAJ | CAP | CAY | HAP | 180.0° | 179.7° |
| CAJ | CAP | CAY | CAZ | 178.8° | 179.6° |
| CAP | CAJ | CAK | HAK | 179.1° | 180.0° |
| CAP | CAY | CAZ | CAX | 165.2° | 125.7° |
| CAP | CAY | CAZ | SAT | 83.8° | 5.7° |
| CAP | CAY | CAZ | CAW | 31.8° | 114.3° |
| CAP | CAY | CAQ | HAQ | 178.9° | 179.9° |
| CAY | CAP | CAJ | HAJ | 179.0° | 179.7° |
| CAY | CAZ | CAX | SAT | 115.6° | 119.9° |
| CAY | CAZ | CAX | CAW | 134.5° | 120.0° |
| CAY | CAZ | SAT | CAW | 121.3° | 120.1° |
| CAY | CAZ | CAX | CAN | 121.1° | 169.7° |
| CAY | CAZ | CAX | CAO | 60.8° | 10.8° |
| CAY | CAZ | SAT | CAS | 29.1° | 66.4° |
| CAY | CAZ | CAW | CAL | 122.4° | 91.0° |
| CAY | CAZ | CAW | CAM | 58.3° | 89.0° |
| CAZ | CAY | CAQ | HAQ | 1.1° | 0.0° |
| CAZ | CAY | CAP | HAP | 1.1° | 0.0° |
| CAX | CAZ | SAT | CAW | 114.7° | 120.0° |
| CAZ | CAX | CAN | CAO | 178.2° | 179.5° |
| CAZ | CAX | CAN | CAH | 179.6° | 180.0° |
| CAZ | CAX | CAO | CAI | 179.6° | 179.9° |
| CAX | CAZ | SAT | CAS | 94.9° | 53.6° |
| CAX | CAZ | CAW | CAL | 100.7° | 29.0° |
| CAX | CAZ | CAW | CAM | 78.6° | 151.0° |
| CAZ | CAX | CAN | HAN | 0.4° | 0.3° |
| CAZ | CAX | CAO | HAO | 0.4° | 0.3° |
| SAT | CAZ | CAX | CAN | 5.5° | 70.4° |
| SAT | CAZ | CAX | CAO | 176.3° | 109.1° |
| CAZ | SAT | CAS | CAR | 141.7° | 175.1° |
| SAT | CAZ | CAW | CAL | 5.4° | 149.0° |
| SAT | CAZ | CAW | CAM | 175.3° | 31.1° |
| CAZ | SAT | CAS | HAS1 | 20.8° | 55.1° |
| CAZ | SAT | CAS | HAS2 | 97.4° | 64.9° |
| CAW | CAZ | CAX | CAN | 104.4° | 49.7° |
| CAW | CAZ | CAX | CAO | 73.7° | 130.9° |
| CAW | CAZ | SAT | CAS | 150.4° | 173.6° |
| CAZ | CAW | CAL | CAM | 179.3° | 180.0° |
| CAZ | CAW | CAL | CAF | 179.8° | 180.0° |
| CAZ | CAW | CAM | CAG | 179.5° | 180.0° |
| CAZ | CAW | CAL | HAL | 0.2° | 0.0° |
| CAZ | CAW | CAM | HAM | 0.5° | 0.0° |
| CAX | CAN | CAH | HAN | 180.0° | 179.7° |
| CAX | CAN | CAH | CAE | 0.3° | 0.2° |
| CAN | CAX | CAO | CAI | 1.5° | 0.6° |
| CAN | CAX | CAO | HAO | 178.5° | 179.8° |
| CAX | CAN | CAH | HAH | 179.7° | 179.7° |
| CAO | CAX | CAN | CAH | 1.4° | 0.5° |
| CAX | CAO | CAI | CAE | 0.5° | 0.3° |
| CAX | CAO | CAI | HAO | 180.0° | 179.6° |
| CAO | CAX | CAN | HAN | 178.6° | 179.8° |
| CAX | CAO | CAI | HAI | 179.5° | 179.8° |
| CAN | CAH | CAE | HAH | 180.0° | 179.9° |
| CAN | CAH | CAE | CAI | 0.6° | 0.0° |
| CAN | CAH | CAE | HAE | 179.4° | 179.9° |
| CAH | CAE | CAI | HAE | 180.0° | 179.9° |
| CAH | CAE | CAI | CAO | 0.5° | 0.0° |
| CAE | CAH | CAN | HAN | 179.7° | 179.9° |
| CAH | CAE | CAI | HAI | 179.5° | 179.9° |
| CAE | CAI | CAO | HAI | 180.0° | 179.9° |
| CAE | CAI | CAO | HAO | 179.5° | 180.0° |
| CAI | CAE | CAH | HAH | 179.4° | 179.9° |
| CAO | CAI | CAE | HAE | 179.5° | 179.9° |
| SAT | CAS | CAR | HAS1 | 120.9° | 120.0° |
| SAT | CAS | CAR | HAS2 | 120.9° | 120.0° |
| SAT | CAS | CAR | NAB | 105.6° | 180.0° |
| SAT | CAS | HAS1 | HAS2 | 117.2° | 120.0° |
| SAT | CAS | CAR | HAR1 | 14.2° | 60.0° |
| SAT | CAS | CAR | HAR2 | 134.4° | 59.9° |
| CAS | CAR | NAB | HAR1 | 119.9° | 119.9° |
| CAS | CAR | NAB | HAR2 | 119.9° | 120.1° |
| CAR | CAS | HAS1 | HAS2 | 117.1° | 120.0° |
| CAS | CAR | HAR1 | HAR2 | 120.3° | 120.0° |
| CAS | CAR | NAB | HAB1 | 180.0° | 180.0° |
| CAS | CAR | NAB | HAB2 | 60.0° | 56.1° |
| NAB | CAR | CAS | HAS1 | 133.4° | 60.0° |
| NAB | CAR | CAS | HAS2 | 15.3° | 60.0° |
| NAB | CAR | HAR1 | HAR2 | 120.3° | 120.0° |
| CAR | NAB | HAB1 | HAB2 | 120.0° | 123.9° |
| CAW | CAL | CAF | HAL | 180.0° | 180.0° |
| CAW | CAL | CAF | CAD | 0.5° | 0.3° |
| CAW | CAL | CAF | OAC | 180.0° | 180.0° |
| CAL | CAW | CAM | CAG | 0.2° | 0.0° |
| CAL | CAW | CAM | HAM | 179.8° | 180.0° |
| CAM | CAW | CAL | CAF | 0.5° | 0.0° |
| CAW | CAM | CAG | CAD | 0.0° | 0.2° |
| CAW | CAM | CAG | HAM | 180.0° | 180.0° |
| CAM | CAW | CAL | HAL | 179.5° | 180.0° |
| CAW | CAM | CAG | HAG | 180.0° | 180.0° |
| CAL | CAF | CAD | OAC | 179.5° | 179.7° |
| CAL | CAF | CAD | CAG | 0.3° | 0.5° |
| CAL | CAF | CAD | HAD | 179.7° | 179.9° |
| CAL | CAF | OAC | HAC | 180.0° | 90.0° |
| CAF | CAD | CAG | HAD | 180.0° | 179.5° |
| CAF | CAD | CAG | CAM | 0.1° | 0.5° |
| CAD | CAF | CAL | HAL | 179.5° | 179.7° |
| CAD | CAF | OAC | HAC | 0.5° | 89.8° |
| CAF | CAD | CAG | HAG | 179.9° | 179.7° |
| OAC | CAF | CAD | CAG | 179.8° | 179.7° |
| OAC | CAF | CAL | HAL | 0.0° | 0.0° |
| OAC | CAF | CAD | HAD | 0.2° | 0.2° |
| CAD | CAG | CAM | HAG | 180.0° | 179.8° |
| CAD | CAG | CAM | HAM | 180.0° | 179.8° |
| CAM | CAG | CAD | HAD | 179.9° | 180.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAA1 | CAA | CAU | HAU1 | 60.1° | 60.1° |
| HAA1 | CAA | CAU | HAU2 | 60.2° | 180.0° |
| HAA2 | CAA | CAU | HAU1 | 59.8° | 180.0° |
| HAA2 | CAA | CAU | HAU2 | 179.9° | 60.1° |
| HAA3 | CAA | CAU | HAU1 | 179.8° | 60.0° |
| HAA3 | CAA | CAU | HAU2 | 59.9° | 60.0° |
| HAK | CAK | CAJ | HAJ | 0.9° | 0.0° |
| HAJ | CAJ | CAP | HAP | 1.0° | 0.1° |
| HAN | CAN | CAH | HAH | 0.3° | 0.0° |
| HAO | CAO | CAI | HAI | 0.6° | 0.1° |
| HAH | CAH | CAE | HAE | 0.6° | 0.1° |
| HAE | CAE | CAI | HAI | 0.5° | 0.0° |
| HAS1 | CAS | CAR | HAR1 | 106.7° | 180.0° |
| HAS1 | CAS | CAR | HAR2 | 13.5° | 60.0° |
| HAS2 | CAS | CAR | HAR1 | 135.1° | 60.0° |
| HAS2 | CAS | CAR | HAR2 | 104.7° | 179.9° |
| HAR1 | CAR | NAB | HAB1 | 60.1° | 60.0° |
| HAR1 | CAR | NAB | HAB2 | 179.9° | 176.1° |
| HAR2 | CAR | NAB | HAB1 | 60.1° | 60.0° |
| HAR2 | CAR | NAB | HAB2 | 59.9° | 64.0° |
| HAM | CAM | CAG | HAG | 0.0° | 0.0° |
| HAD | CAD | CAG | HAG | 0.1° | 0.2° |
