GVF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | PAH | sing | 1.62Å | 1.61Å | |
| PAH | OAG | sing | 1.62Å | 1.61Å | |
| PAH | OAI | doub | 1.50Å | 1.48Å | |
| PAH | OAM | sing | 1.62Å | 1.61Å | |
| OAM | CAL | sing | 1.36Å | 1.36Å | |
| CAL | CAP | sing | 1.39Å | 1.40Å | |
| CAP | OAQ | sing | 1.36Å | 1.36Å | |
| OAQ | PAT | sing | 1.62Å | 1.61Å | |
| PAT | OAS | sing | 1.62Å | 1.61Å | |
| PAT | OAY | sing | 1.62Å | 1.61Å | |
| PAT | OAU | doub | 1.50Å | 1.48Å | |
| CAP | CAO | doub | 1.39Å | 1.39Å | |
| CAO | OAR | sing | 1.36Å | 1.36Å | |
| OAR | PAW | sing | 1.62Å | 1.61Å | |
| PAW | OAV | sing | 1.62Å | 1.61Å | |
| PAW | OAZ | sing | 1.62Å | 1.61Å | |
| PAW | OAX | doub | 1.50Å | 1.48Å | |
| CAO | CAN | sing | 1.39Å | 1.39Å | |
| CAN | CAJ | doub | 1.39Å | 1.39Å | |
| CAL | CAK | doub | 1.40Å | 1.39Å | |
| CAJ | CAK | sing | 1.39Å | 1.39Å | |
| CAK | OAF | sing | 1.36Å | 1.36Å | |
| OAF | PAC | sing | 1.62Å | 1.61Å | |
| PAC | OAB | sing | 1.62Å | 1.61Å | |
| PAC | OAA | sing | 1.62Å | 1.61Å | |
| PAC | OAD | doub | 1.50Å | 1.48Å | |
| OAE | HAE | sing | 0.98Å | 0.95Å | |
| OAG | HAG | sing | 0.98Å | 0.95Å | |
| OAS | HAS | sing | 0.98Å | 0.95Å | |
| OAY | HAY | sing | 0.98Å | 0.95Å | |
| CAN | HAN | sing | 1.09Å | 1.08Å | |
| OAV | HAV | sing | 0.98Å | 0.95Å | |
| OAZ | HAZ | sing | 0.98Å | 0.95Å | |
| CAJ | HAJ | sing | 1.09Å | 1.08Å | |
| OAB | HAB | sing | 0.98Å | 0.95Å | |
| OAA | HAA | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | PAH | OAG | 105.2° | 102.9° |
| OAE | PAH | OAI | 110.9° | 115.7° |
| OAE | PAH | OAM | 106.1° | 104.2° |
| PAH | OAE | HAE | 109.5° | 118.9° |
| OAG | PAH | OAI | 112.2° | 114.4° |
| OAG | PAH | OAM | 109.4° | 102.7° |
| PAH | OAG | HAG | 109.5° | 118.9° |
| OAI | PAH | OAM | 112.6° | 115.3° |
| PAH | OAM | CAL | 116.1° | 125.1° |
| OAM | CAL | CAP | 122.1° | 120.1° |
| OAM | CAL | CAK | 117.2° | 119.9° |
| CAL | CAP | OAQ | 121.1° | 120.0° |
| CAL | CAP | CAO | 119.9° | 120.0° |
| CAP | CAL | CAK | 119.9° | 120.0° |
| CAP | OAQ | PAT | 114.9° | 125.2° |
| OAQ | CAP | CAO | 118.8° | 120.0° |
| OAQ | PAT | OAS | 108.7° | 104.2° |
| OAQ | PAT | OAY | 104.2° | 102.7° |
| OAQ | PAT | OAU | 112.9° | 115.3° |
| OAS | PAT | OAY | 107.4° | 102.9° |
| OAS | PAT | OAU | 112.6° | 115.7° |
| PAT | OAS | HAS | 109.5° | 118.9° |
| OAY | PAT | OAU | 110.6° | 114.4° |
| PAT | OAY | HAY | 109.5° | 118.9° |
| CAP | CAO | OAR | 120.3° | 120.6° |
| CAP | CAO | CAN | 119.8° | 120.0° |
| CAO | OAR | PAW | 116.6° | 125.2° |
| OAR | CAO | CAN | 119.0° | 119.4° |
| OAR | PAW | OAV | 107.8° | 104.2° |
| OAR | PAW | OAZ | 107.4° | 102.7° |
| OAR | PAW | OAX | 111.2° | 115.3° |
| OAV | PAW | OAZ | 105.7° | 102.9° |
| OAV | PAW | OAX | 111.0° | 115.7° |
| PAW | OAV | HAV | 109.5° | 118.9° |
| OAZ | PAW | OAX | 113.5° | 114.4° |
| PAW | OAZ | HAZ | 109.5° | 118.9° |
| CAO | CAN | CAJ | 120.6° | 120.0° |
| CAO | CAN | HAN | 119.7° | 120.3° |
| CAN | CAJ | CAK | 119.4° | 120.0° |
| CAJ | CAN | HAN | 119.7° | 119.6° |
| CAN | CAJ | HAJ | 120.3° | 119.6° |
| CAL | CAK | CAJ | 120.4° | 120.0° |
| CAL | CAK | OAF | 115.9° | 120.6° |
| CAJ | CAK | OAF | 123.6° | 119.4° |
| CAK | CAJ | HAJ | 120.3° | 120.4° |
| CAK | OAF | PAC | 118.3° | 125.1° |
| OAF | PAC | OAB | 107.5° | 104.2° |
| OAF | PAC | OAA | 102.8° | 102.7° |
| OAF | PAC | OAD | 113.6° | 115.3° |
| OAB | PAC | OAA | 107.7° | 102.9° |
| OAB | PAC | OAD | 113.0° | 115.7° |
| PAC | OAB | HAB | 109.5° | 118.9° |
| OAA | PAC | OAD | 111.6° | 114.4° |
| PAC | OAA | HAA | 109.5° | 118.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | PAH | OAG | OAI | 120.7° | 126.3° |
| OAE | PAH | OAG | OAM | 113.6° | 108.0° |
| OAE | PAH | OAI | OAM | 118.7° | 121.9° |
| OAE | PAH | OAM | CAL | 132.2° | 67.8° |
| OAE | PAH | OAG | HAG | 42.7° | 78.8° |
| OAG | PAH | OAI | OAM | 123.9° | 118.8° |
| OAG | PAH | OAM | CAL | 19.2° | 174.8° |
| OAG | PAH | OAE | HAE | 133.7° | 76.8° |
| OAI | PAH | OAM | CAL | 106.3° | 60.1° |
| OAI | PAH | OAE | HAE | 104.8° | 48.7° |
| OAI | PAH | OAG | HAG | 163.4° | 47.5° |
| PAH | OAM | CAL | CAP | 82.8° | 120.0° |
| PAH | OAM | CAL | CAK | 107.4° | 60.1° |
| OAM | PAH | OAE | HAE | 17.8° | 176.3° |
| OAM | PAH | OAG | HAG | 70.9° | 173.1° |
| OAM | CAL | CAP | CAK | 169.6° | 179.9° |
| OAM | CAL | CAP | OAQ | 17.7° | 0.0° |
| OAM | CAL | CAP | CAO | 167.7° | 180.0° |
| OAM | CAL | CAK | CAJ | 169.4° | 180.0° |
| OAM | CAL | CAK | OAF | 6.4° | 0.0° |
| CAL | CAP | OAQ | CAO | 174.7° | 180.0° |
| CAL | CAP | OAQ | PAT | 76.7° | 90.0° |
| CAL | CAP | CAO | OAR | 167.4° | 180.0° |
| CAL | CAP | CAO | CAN | 2.0° | 0.0° |
| CAP | CAL | CAK | CAJ | 0.6° | 0.0° |
| CAP | CAL | CAK | OAF | 176.5° | 180.0° |
| CAP | OAQ | PAT | OAS | 2.5° | 67.8° |
| CAP | OAQ | PAT | OAY | 111.8° | 174.9° |
| CAP | OAQ | PAT | OAU | 128.2° | 60.0° |
| OAQ | CAP | CAO | OAR | 17.9° | 0.1° |
| OAQ | CAP | CAO | CAN | 172.7° | 180.0° |
| OAQ | CAP | CAL | CAK | 172.8° | 180.0° |
| OAQ | PAT | OAS | OAY | 112.2° | 106.9° |
| OAQ | PAT | OAS | OAU | 125.8° | 127.6° |
| OAQ | PAT | OAY | OAU | 121.5° | 125.6° |
| PAT | OAQ | CAP | CAO | 108.7° | 90.0° |
| OAQ | PAT | OAS | HAS | 104.1° | 176.3° |
| OAQ | PAT | OAY | HAY | 123.5° | 173.1° |
| OAS | PAT | OAY | OAU | 123.3° | 126.4° |
| OAS | PAT | OAY | HAY | 8.3° | 78.8° |
| OAY | PAT | OAS | HAS | 143.7° | 76.8° |
| OAU | PAT | OAS | HAS | 21.7° | 48.7° |
| OAU | PAT | OAY | HAY | 115.0° | 47.5° |
| CAP | CAO | OAR | CAN | 169.5° | 180.0° |
| CAP | CAO | OAR | PAW | 79.5° | 180.0° |
| CAP | CAO | CAN | CAJ | 1.0° | 0.0° |
| CAO | CAP | CAL | CAK | 1.9° | 0.0° |
| CAP | CAO | CAN | HAN | 179.0° | 179.9° |
| CAO | OAR | PAW | OAV | 100.9° | 67.8° |
| CAO | OAR | PAW | OAZ | 12.7° | 174.9° |
| CAO | OAR | PAW | OAX | 137.3° | 60.0° |
| OAR | CAO | CAN | CAJ | 168.5° | 180.0° |
| OAR | CAO | CAN | HAN | 11.5° | 0.0° |
| OAR | PAW | OAV | OAZ | 114.6° | 106.9° |
| OAR | PAW | OAV | OAX | 121.9° | 127.6° |
| OAR | PAW | OAZ | OAX | 123.3° | 125.7° |
| PAW | OAR | CAO | CAN | 111.0° | 0.0° |
| OAR | PAW | OAV | HAV | 148.1° | 176.2° |
| OAR | PAW | OAZ | HAZ | 10.9° | 173.2° |
| OAV | PAW | OAZ | OAX | 121.9° | 126.3° |
| OAV | PAW | OAZ | HAZ | 104.0° | 78.8° |
| OAZ | PAW | OAV | HAV | 97.3° | 76.8° |
| OAX | PAW | OAV | HAV | 26.1° | 48.7° |
| OAX | PAW | OAZ | HAZ | 134.2° | 47.5° |
| CAO | CAN | CAJ | HAN | 180.0° | 179.9° |
| CAO | CAN | CAJ | CAK | 0.2° | 0.0° |
| CAO | CAN | CAJ | HAJ | 179.8° | 180.0° |
| CAN | CAJ | CAK | CAL | 0.4° | 0.0° |
| CAN | CAJ | CAK | HAJ | 180.0° | 180.0° |
| CAN | CAJ | CAK | OAF | 175.1° | 180.0° |
| CAL | CAK | CAJ | OAF | 175.5° | 180.0° |
| CAL | CAK | OAF | PAC | 158.3° | 180.0° |
| CAL | CAK | CAJ | HAJ | 179.6° | 180.0° |
| CAJ | CAK | OAF | PAC | 26.1° | 0.0° |
| CAK | CAJ | CAN | HAN | 179.8° | 179.9° |
| CAK | OAF | PAC | OAB | 66.4° | 67.9° |
| CAK | OAF | PAC | OAA | 179.8° | 174.9° |
| CAK | OAF | PAC | OAD | 59.4° | 60.0° |
| OAF | CAK | CAJ | HAJ | 4.9° | 0.0° |
| OAF | PAC | OAB | OAA | 110.2° | 106.9° |
| OAF | PAC | OAB | OAD | 126.2° | 127.6° |
| OAF | PAC | OAA | OAD | 122.1° | 125.7° |
| OAF | PAC | OAB | HAB | 65.5° | 176.3° |
| OAF | PAC | OAA | HAA | 83.0° | 173.2° |
| OAB | PAC | OAA | OAD | 124.5° | 126.3° |
| OAB | PAC | OAA | HAA | 30.3° | 78.8° |
| OAA | PAC | OAB | HAB | 175.7° | 76.8° |
| OAD | PAC | OAB | HAB | 60.6° | 48.7° |
| OAD | PAC | OAA | HAA | 154.8° | 47.4° |
| HAN | CAN | CAJ | HAJ | 0.2° | 0.1° |
