VR2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | IAC | sing | 2.09Å | 2.09Å | |
| CAU | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | OAS | sing | 1.36Å | 1.36Å | |
| OAS | CAL | sing | 1.43Å | 1.43Å | |
| CAL | CAM | sing | 1.53Å | 1.53Å | |
| CAM | CAX | sing | 1.53Å | 1.53Å | |
| CAX | CAA | sing | 1.53Å | 1.53Å | |
| CAX | CAN | sing | 1.53Å | 1.53Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| CAO | NAY | sing | 1.46Å | 1.48Å | |
| NAY | CAT | sing | 1.34Å | 1.33Å | |
| NAY | CAP | sing | 1.47Å | 1.48Å | |
| CAT | OAB | doub | 1.22Å | 1.23Å | |
| CAT | NAZ | sing | 1.34Å | 1.33Å | |
| CAP | CAQ | sing | 1.54Å | 1.53Å | |
| CAQ | NAZ | sing | 1.47Å | 1.48Å | |
| NAZ | CAW | sing | 1.40Å | 1.33Å | |
| CAW | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAW | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | NAR | doub | 1.32Å | 1.40Å | Aromatic |
| NAR | CAE | sing | 1.32Å | 1.40Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAD | HAD | 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) |
| CAH | CAJ | CAV | 119.7° | 119.9° |
| CAJ | CAH | CAU | 119.9° | 120.0° |
| CAH | CAJ | HAJ | 120.1° | 120.0° |
| CAJ | CAH | HAH | 120.1° | 119.9° |
| CAJ | CAV | CAK | 120.1° | 119.9° |
| CAJ | CAV | OAS | 122.2° | 120.0° |
| CAV | CAJ | HAJ | 120.1° | 120.0° |
| CAH | CAU | IAC | 121.1° | 119.9° |
| CAH | CAU | CAI | 120.4° | 120.1° |
| CAU | CAH | HAH | 120.0° | 120.0° |
| IAC | CAU | CAI | 118.5° | 120.0° |
| CAU | CAI | CAK | 119.6° | 120.0° |
| CAU | CAI | HAI | 120.2° | 120.0° |
| CAI | CAK | CAV | 120.3° | 120.0° |
| CAK | CAI | HAI | 120.2° | 120.0° |
| CAI | CAK | HAK | 119.8° | 120.0° |
| CAK | CAV | OAS | 117.5° | 120.1° |
| CAV | CAK | HAK | 119.9° | 120.0° |
| CAV | OAS | CAL | 114.7° | 117.0° |
| OAS | CAL | CAM | 105.8° | 109.5° |
| OAS | CAL | HAL1 | 110.4° | 109.4° |
| OAS | CAL | HAL2 | 110.4° | 109.4° |
| CAL | CAM | CAX | 109.9° | 109.4° |
| CAM | CAL | HAL1 | 110.4° | 109.5° |
| CAM | CAL | HAL2 | 110.4° | 109.5° |
| CAL | CAM | HAM1 | 109.4° | 109.5° |
| CAL | CAM | HAM2 | 109.3° | 109.5° |
| CAM | CAX | CAA | 109.0° | 109.5° |
| CAM | CAX | CAN | 107.5° | 109.5° |
| CAX | CAM | HAM1 | 109.3° | 109.5° |
| CAX | CAM | HAM2 | 109.4° | 109.5° |
| CAM | CAX | HAX | 110.5° | 109.4° |
| CAA | CAX | CAN | 109.0° | 109.5° |
| CAA | CAX | HAX | 110.4° | 109.5° |
| CAX | CAA | HAA1 | 109.5° | 109.5° |
| CAX | CAA | HAA2 | 109.5° | 109.5° |
| CAX | CAA | HAA3 | 109.5° | 109.5° |
| CAX | CAN | CAO | 109.0° | 109.5° |
| CAN | CAX | HAX | 110.5° | 109.5° |
| CAX | CAN | HAN1 | 109.6° | 109.5° |
| CAX | CAN | HAN2 | 109.6° | 109.5° |
| CAN | CAO | NAY | 109.7° | 109.4° |
| CAO | CAN | HAN1 | 109.6° | 109.5° |
| CAO | CAN | HAN2 | 109.6° | 109.5° |
| CAN | CAO | HAO1 | 109.4° | 109.5° |
| CAN | CAO | HAO2 | 109.4° | 109.4° |
| CAO | NAY | CAT | 126.3° | 125.4° |
| CAO | NAY | CAP | 124.8° | 125.4° |
| NAY | CAO | HAO1 | 109.4° | 109.5° |
| NAY | CAO | HAO2 | 109.4° | 109.5° |
| CAT | NAY | CAP | 108.4° | 109.2° |
| NAY | CAT | OAB | 122.9° | 123.0° |
| NAY | CAT | NAZ | 112.7° | 113.9° |
| NAY | CAP | CAQ | 100.7° | 103.8° |
| NAY | CAP | HAP1 | 111.6° | 110.6° |
| NAY | CAP | HAP2 | 111.6° | 110.5° |
| OAB | CAT | NAZ | 124.4° | 123.0° |
| CAT | NAZ | CAQ | 107.7° | 109.2° |
| CAT | NAZ | CAW | 127.7° | 125.4° |
| CAP | CAQ | NAZ | 101.5° | 103.8° |
| CAQ | CAP | HAP1 | 111.7° | 110.5° |
| CAQ | CAP | HAP2 | 111.6° | 110.5° |
| CAP | CAQ | HAQ1 | 111.4° | 110.5° |
| CAP | CAQ | HAQ2 | 111.4° | 110.6° |
| CAQ | NAZ | CAW | 124.1° | 125.4° |
| NAZ | CAQ | HAQ1 | 111.4° | 110.4° |
| NAZ | CAQ | HAQ2 | 111.4° | 110.7° |
| NAZ | CAW | CAF | 119.1° | 120.9° |
| NAZ | CAW | CAG | 120.5° | 120.8° |
| CAF | CAW | CAG | 119.8° | 118.3° |
| CAW | CAF | CAD | 120.7° | 119.1° |
| CAW | CAF | HAF | 119.6° | 120.5° |
| CAW | CAG | CAE | 120.2° | 119.1° |
| CAW | CAG | HAG | 119.9° | 120.5° |
| CAF | CAD | NAR | 119.6° | 120.9° |
| CAD | CAF | HAF | 119.7° | 120.5° |
| CAF | CAD | HAD | 120.2° | 119.6° |
| CAD | NAR | CAE | 119.8° | 121.8° |
| NAR | CAD | HAD | 120.2° | 119.5° |
| NAR | CAE | CAG | 120.0° | 120.9° |
| NAR | CAE | HAE | 120.0° | 119.5° |
| CAE | CAG | HAG | 119.9° | 120.5° |
| CAG | CAE | HAE | 120.0° | 119.6° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
| HAM1 | CAM | HAM2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAN1 | CAN | HAN2 | 109.5° | 109.5° |
| HAO1 | CAO | HAO2 | 109.5° | 109.5° |
| HAP1 | CAP | HAP2 | 109.5° | 110.6° |
| HAQ1 | CAQ | HAQ2 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAJ | CAV | HAJ | 180.0° | 179.6° |
| CAJ | CAH | CAU | HAH | 180.0° | 179.9° |
| CAJ | CAH | CAU | IAC | 178.9° | 180.0° |
| CAJ | CAH | CAU | CAI | 0.3° | 0.1° |
| CAH | CAJ | CAV | CAK | 0.1° | 0.1° |
| CAH | CAJ | CAV | OAS | 176.0° | 179.9° |
| CAV | CAJ | CAH | CAU | 0.3° | 0.1° |
| CAJ | CAV | CAK | CAI | 0.3° | 0.1° |
| CAJ | CAV | CAK | OAS | 176.2° | 180.0° |
| CAJ | CAV | OAS | CAL | 0.6° | 179.9° |
| CAV | CAJ | CAH | HAH | 179.7° | 180.0° |
| CAJ | CAV | CAK | HAK | 179.7° | 180.0° |
| CAH | CAU | IAC | CAI | 179.2° | 180.0° |
| CAH | CAU | CAI | CAK | 0.1° | 0.0° |
| CAU | CAH | CAJ | HAJ | 179.6° | 179.7° |
| CAH | CAU | CAI | HAI | 179.9° | 180.0° |
| IAC | CAU | CAI | CAK | 179.3° | 180.0° |
| IAC | CAU | CAH | HAH | 1.1° | 0.1° |
| IAC | CAU | CAI | HAI | 0.7° | 0.1° |
| CAU | CAI | CAK | HAI | 180.0° | 179.9° |
| CAU | CAI | CAK | CAV | 0.4° | 0.1° |
| CAI | CAU | CAH | HAH | 179.8° | 180.0° |
| CAU | CAI | CAK | HAK | 179.6° | 180.0° |
| CAI | CAK | CAV | HAK | 180.0° | 179.9° |
| CAI | CAK | CAV | OAS | 175.8° | 179.9° |
| CAK | CAV | OAS | CAL | 175.4° | 0.0° |
| CAK | CAV | CAJ | HAJ | 179.9° | 179.7° |
| CAV | CAK | CAI | HAI | 179.6° | 180.0° |
| CAV | OAS | CAL | CAM | 175.0° | 180.0° |
| OAS | CAV | CAJ | HAJ | 3.9° | 0.3° |
| OAS | CAV | CAK | HAK | 4.1° | 0.0° |
| CAV | OAS | CAL | HAL1 | 55.6° | 60.0° |
| CAV | OAS | CAL | HAL2 | 65.5° | 60.0° |
| OAS | CAL | CAM | HAL1 | 119.4° | 120.0° |
| OAS | CAL | CAM | HAL2 | 119.4° | 119.9° |
| OAS | CAL | CAM | CAX | 175.5° | 180.0° |
| OAS | CAL | HAL1 | HAL2 | 121.7° | 119.9° |
| OAS | CAL | CAM | HAM1 | 64.5° | 60.0° |
| OAS | CAL | CAM | HAM2 | 55.4° | 60.0° |
| CAL | CAM | CAX | HAM1 | 120.0° | 119.9° |
| CAL | CAM | CAX | HAM2 | 120.0° | 120.1° |
| CAL | CAM | CAX | CAA | 76.4° | 65.0° |
| CAL | CAM | CAX | CAN | 165.6° | 175.0° |
| CAM | CAL | HAL1 | HAL2 | 121.7° | 120.1° |
| CAL | CAM | HAM1 | HAM2 | 119.8° | 120.0° |
| CAL | CAM | CAX | HAX | 45.1° | 55.0° |
| CAM | CAX | CAA | CAN | 117.0° | 120.0° |
| CAM | CAX | CAA | HAX | 121.5° | 120.0° |
| CAM | CAX | CAN | HAX | 120.6° | 119.9° |
| CAM | CAX | CAN | CAO | 165.5° | 175.0° |
| CAX | CAM | CAL | HAL1 | 56.1° | 60.1° |
| CAX | CAM | CAL | HAL2 | 65.1° | 60.0° |
| CAX | CAM | HAM1 | HAM2 | 119.8° | 120.0° |
| CAM | CAX | CAA | HAA1 | 180.0° | 180.0° |
| CAM | CAX | CAA | HAA2 | 60.0° | 60.0° |
| CAM | CAX | CAA | HAA3 | 60.0° | 60.0° |
| CAM | CAX | CAN | HAN1 | 74.6° | 65.0° |
| CAM | CAX | CAN | HAN2 | 45.6° | 55.0° |
| CAA | CAX | CAN | HAX | 121.5° | 120.0° |
| CAA | CAX | CAN | CAO | 76.6° | 65.0° |
| CAA | CAX | CAM | HAM1 | 43.6° | 55.0° |
| CAA | CAX | CAM | HAM2 | 163.5° | 175.0° |
| CAX | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAX | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAX | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAX | CAN | HAN1 | 43.4° | 55.0° |
| CAA | CAX | CAN | HAN2 | 163.5° | 175.0° |
| CAX | CAN | CAO | HAN1 | 119.9° | 120.0° |
| CAX | CAN | CAO | HAN2 | 119.9° | 120.0° |
| CAX | CAN | CAO | NAY | 176.8° | 180.0° |
| CAN | CAX | CAM | HAM1 | 74.3° | 65.0° |
| CAN | CAX | CAM | HAM2 | 45.6° | 55.0° |
| CAN | CAX | CAA | HAA1 | 63.0° | 60.0° |
| CAN | CAX | CAA | HAA2 | 177.0° | 180.0° |
| CAN | CAX | CAA | HAA3 | 57.0° | 60.0° |
| CAX | CAN | HAN1 | HAN2 | 120.2° | 120.0° |
| CAX | CAN | CAO | HAO1 | 56.8° | 60.0° |
| CAX | CAN | CAO | HAO2 | 63.2° | 60.0° |
| CAN | CAO | NAY | HAO1 | 120.0° | 120.0° |
| CAN | CAO | NAY | HAO2 | 120.0° | 119.9° |
| CAN | CAO | NAY | CAT | 128.6° | 90.1° |
| CAN | CAO | NAY | CAP | 41.8° | 90.3° |
| CAO | CAN | CAX | HAX | 44.9° | 55.0° |
| CAO | CAN | HAN1 | HAN2 | 120.2° | 120.0° |
| CAN | CAO | HAO1 | HAO2 | 119.9° | 119.9° |
| CAO | NAY | CAT | CAP | 171.7° | 179.7° |
| CAO | NAY | CAT | OAB | 1.4° | 0.0° |
| CAO | NAY | CAT | NAZ | 177.9° | 180.0° |
| CAO | NAY | CAP | CAQ | 163.3° | 180.0° |
| NAY | CAO | CAN | HAN1 | 63.2° | 60.0° |
| NAY | CAO | CAN | HAN2 | 56.9° | 60.0° |
| NAY | CAO | HAO1 | HAO2 | 119.9° | 120.1° |
| CAO | NAY | CAP | HAP1 | 44.7° | 61.4° |
| CAO | NAY | CAP | HAP2 | 78.2° | 61.5° |
| NAY | CAT | OAB | NAZ | 179.2° | 180.0° |
| CAT | NAY | CAP | CAQ | 24.9° | 0.3° |
| NAY | CAT | NAZ | CAQ | 9.9° | 0.2° |
| NAY | CAT | NAZ | CAW | 178.2° | 180.0° |
| CAT | NAY | CAO | HAO1 | 8.5° | 29.9° |
| CAT | NAY | CAO | HAO2 | 111.4° | 150.0° |
| CAT | NAY | CAP | HAP1 | 143.5° | 118.3° |
| CAT | NAY | CAP | HAP2 | 93.7° | 118.8° |
| CAP | NAY | CAT | OAB | 170.3° | 179.6° |
| CAP | NAY | CAT | NAZ | 10.4° | 0.3° |
| NAY | CAP | CAQ | HAP1 | 118.5° | 118.7° |
| NAY | CAP | CAQ | HAP2 | 118.6° | 118.6° |
| NAY | CAP | CAQ | NAZ | 28.7° | 0.2° |
| CAP | NAY | CAO | HAO1 | 161.9° | 149.7° |
| CAP | NAY | CAO | HAO2 | 78.2° | 29.6° |
| NAY | CAP | HAP1 | HAP2 | 124.1° | 122.8° |
| NAY | CAP | CAQ | HAQ1 | 90.0° | 118.6° |
| NAY | CAP | CAQ | HAQ2 | 147.4° | 118.6° |
| OAB | CAT | NAZ | CAQ | 169.4° | 179.8° |
| OAB | CAT | NAZ | CAW | 2.5° | 0.0° |
| CAT | NAZ | CAQ | CAP | 24.7° | 0.0° |
| CAT | NAZ | CAQ | CAW | 172.2° | 179.8° |
| CAT | NAZ | CAW | CAF | 170.2° | 0.1° |
| CAT | NAZ | CAW | CAG | 0.8° | 179.8° |
| CAT | NAZ | CAQ | HAQ1 | 93.9° | 118.5° |
| CAT | NAZ | CAQ | HAQ2 | 143.5° | 118.6° |
| CAP | CAQ | NAZ | HAQ1 | 118.7° | 118.5° |
| CAP | CAQ | NAZ | HAQ2 | 118.7° | 118.7° |
| CAP | CAQ | NAZ | CAW | 163.0° | 179.8° |
| CAQ | CAP | HAP1 | HAP2 | 124.1° | 122.7° |
| CAP | CAQ | HAQ1 | HAQ2 | 123.7° | 122.8° |
| CAQ | NAZ | CAW | CAF | 0.4° | 179.8° |
| CAQ | NAZ | CAW | CAG | 171.4° | 0.0° |
| NAZ | CAQ | CAP | HAP1 | 147.2° | 118.5° |
| NAZ | CAQ | CAP | HAP2 | 89.9° | 118.8° |
| NAZ | CAQ | HAQ1 | HAQ2 | 123.7° | 122.9° |
| NAZ | CAW | CAF | CAG | 171.1° | 179.8° |
| NAZ | CAW | CAF | CAD | 171.9° | 180.0° |
| NAZ | CAW | CAG | CAE | 172.7° | 179.7° |
| CAW | NAZ | CAQ | HAQ1 | 78.3° | 61.3° |
| CAW | NAZ | CAQ | HAQ2 | 44.3° | 61.6° |
| NAZ | CAW | CAF | HAF | 8.1° | 0.0° |
| NAZ | CAW | CAG | HAG | 7.3° | 0.1° |
| CAW | CAF | CAD | HAF | 180.0° | 180.0° |
| CAW | CAF | CAD | NAR | 0.5° | 0.1° |
| CAF | CAW | CAG | CAE | 1.7° | 0.5° |
| CAF | CAW | CAG | HAG | 178.3° | 179.7° |
| CAW | CAF | CAD | HAD | 179.5° | 180.0° |
| CAG | CAW | CAF | CAD | 0.8° | 0.2° |
| CAW | CAG | CAE | NAR | 1.3° | 0.6° |
| CAW | CAG | CAE | HAG | 180.0° | 179.8° |
| CAG | CAW | CAF | HAF | 179.2° | 179.8° |
| CAW | CAG | CAE | HAE | 178.7° | 179.8° |
| CAF | CAD | NAR | HAD | 180.0° | 179.9° |
| CAF | CAD | NAR | CAE | 0.9° | 0.1° |
| CAD | NAR | CAE | CAG | 0.0° | 0.3° |
| NAR | CAD | CAF | HAF | 179.5° | 179.9° |
| CAD | NAR | CAE | HAE | 180.0° | 179.9° |
| NAR | CAE | CAG | HAE | 180.0° | 179.7° |
| NAR | CAE | CAG | HAG | 178.7° | 179.7° |
| CAE | NAR | CAD | HAD | 179.1° | 180.0° |
| HAJ | CAJ | CAH | HAH | 0.4° | 0.4° |
| HAI | CAI | CAK | HAK | 0.4° | 0.1° |
| HAL1 | CAL | CAM | HAM1 | 176.1° | 180.0° |
| HAL1 | CAL | CAM | HAM2 | 64.0° | 60.0° |
| HAL2 | CAL | CAM | HAM1 | 55.0° | 59.9° |
| HAL2 | CAL | CAM | HAM2 | 174.9° | 179.9° |
| HAM1 | CAM | CAX | HAX | 165.1° | 175.0° |
| HAM2 | CAM | CAX | HAX | 75.0° | 65.0° |
| HAX | CAX | CAA | HAA1 | 58.5° | 60.1° |
| HAX | CAX | CAA | HAA2 | 61.5° | 60.0° |
| HAX | CAX | CAA | HAA3 | 178.5° | 180.0° |
| HAX | CAX | CAN | HAN1 | 164.9° | 175.0° |
| HAX | CAX | CAN | HAN2 | 75.0° | 65.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAN1 | CAN | CAO | HAO1 | 176.7° | 180.0° |
| HAN1 | CAN | CAO | HAO2 | 56.8° | 60.0° |
| HAN2 | CAN | CAO | HAO1 | 63.2° | 60.0° |
| HAN2 | CAN | CAO | HAO2 | 176.9° | 180.0° |
| HAP1 | CAP | CAQ | HAQ1 | 28.5° | 0.0° |
| HAP1 | CAP | CAQ | HAQ2 | 94.1° | 122.8° |
| HAP2 | CAP | CAQ | HAQ1 | 151.5° | 122.8° |
| HAP2 | CAP | CAQ | HAQ2 | 28.8° | 0.0° |
| HAF | CAF | CAD | HAD | 0.5° | 0.0° |
| HAG | CAG | CAE | HAE | 1.3° | 0.0° |
