8VB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAZ | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CBA | doub | 1.39Å | 1.41Å | Aromatic |
| OAC | CAW | doub | 1.22Å | 1.24Å | |
| CAZ | CAR | sing | 1.51Å | 1.38Å | |
| CAZ | CAP | doub | 1.38Å | 1.38Å | Aromatic |
| CBA | CAP | sing | 1.39Å | 1.34Å | Aromatic |
| CBA | NAS | sing | 1.40Å | 1.33Å | |
| CAR | CBE | sing | 1.53Å | 1.59Å | |
| CAW | NAS | sing | 1.35Å | 1.32Å | |
| CAW | CBC | sing | 1.47Å | 1.32Å | |
| OAF | CAV | doub | 1.21Å | 1.25Å | |
| CBE | CAV | sing | 1.51Å | 1.52Å | |
| CBE | CAU | sing | 1.51Å | 1.57Å | |
| CAV | OAB | sing | 1.34Å | 1.25Å | |
| CAN | CBC | doub | 1.37Å | 1.30Å | Aromatic |
| CAN | CAO | sing | 1.37Å | 1.32Å | Aromatic |
| CBC | SAT | sing | 1.76Å | 1.61Å | Aromatic |
| OAA | CAU | doub | 1.21Å | 1.26Å | |
| CAU | OAE | sing | 1.34Å | 1.26Å | |
| CAO | CBD | doub | 1.37Å | 1.33Å | Aromatic |
| SAT | CBD | sing | 1.76Å | 1.56Å | Aromatic |
| CBD | CAX | sing | 1.47Å | 1.32Å | |
| CAX | OAD | doub | 1.22Å | 1.23Å | |
| CAX | CBB | sing | 1.48Å | 1.39Å | |
| CBB | CAQ | doub | 1.40Å | 1.39Å | Aromatic |
| CBB | CAM | sing | 1.40Å | 1.37Å | Aromatic |
| CAQ | CAY | sing | 1.38Å | 1.37Å | Aromatic |
| IAG | CAY | sing | 2.10Å | 2.12Å | |
| CAM | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAY | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| OAE | H1 | sing | 0.97Å | 0.95Å | |
| CBE | H2 | sing | 1.09Å | 1.10Å | |
| OAB | H3 | sing | 0.97Å | 0.95Å | |
| CAR | H4 | sing | 1.09Å | 1.10Å | |
| CAR | H5 | sing | 1.09Å | 1.10Å | |
| CAP | H6 | sing | 1.08Å | 1.08Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| NAS | H10 | sing | 0.97Å | 1.00Å | |
| CAN | H12 | sing | 1.08Å | 1.08Å | |
| CAO | H14 | sing | 1.08Å | 1.08Å | |
| CAQ | H15 | sing | 1.08Å | 1.08Å | |
| CAJ | H16 | sing | 1.08Å | 1.08Å | |
| CAI | H17 | sing | 1.08Å | 1.08Å | |
| CAM | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAH | CAL | 119.9° | 120.0° |
| CAH | CAK | CAZ | 118.7° | 120.1° |
| CAH | CAK | H7 | 120.6° | 119.9° |
| CAK | CAH | H8 | 120.1° | 120.0° |
| CAH | CAL | CBA | 121.1° | 119.9° |
| CAL | CAH | H8 | 120.1° | 119.9° |
| CAH | CAL | H9 | 119.5° | 120.0° |
| CAK | CAZ | CAR | 120.8° | 119.9° |
| CAK | CAZ | CAP | 117.8° | 120.1° |
| CAZ | CAK | H7 | 120.7° | 120.0° |
| CAL | CBA | CAP | 114.8° | 119.8° |
| CAL | CBA | NAS | 123.1° | 120.1° |
| CBA | CAL | H9 | 119.5° | 120.0° |
| OAC | CAW | NAS | 125.3° | 120.0° |
| OAC | CAW | CBC | 116.1° | 120.0° |
| CAR | CAZ | CAP | 121.4° | 119.9° |
| CAZ | CAR | CBE | 106.0° | 109.5° |
| CAZ | CAR | H4 | 110.4° | 109.5° |
| CAZ | CAR | H5 | 110.3° | 109.5° |
| CAZ | CAP | CBA | 123.4° | 119.9° |
| CAZ | CAP | H6 | 118.3° | 120.1° |
| CAP | CBA | NAS | 117.5° | 120.1° |
| CBA | CAP | H6 | 118.3° | 120.0° |
| CBA | NAS | CAW | 117.1° | 120.0° |
| CBA | NAS | H10 | 121.5° | 120.0° |
| CAR | CBE | CAV | 113.2° | 109.5° |
| CAR | CBE | CAU | 115.6° | 109.4° |
| CAR | CBE | H2 | 105.6° | 109.5° |
| CBE | CAR | H4 | 110.3° | 109.4° |
| CBE | CAR | H5 | 110.3° | 109.5° |
| NAS | CAW | CBC | 112.0° | 120.0° |
| CAW | NAS | H10 | 121.5° | 120.0° |
| CAW | CBC | CAN | 121.8° | 125.2° |
| CAW | CBC | SAT | 127.7° | 125.2° |
| OAF | CAV | CBE | 117.0° | 120.0° |
| OAF | CAV | OAB | 126.7° | 120.0° |
| CAV | CBE | CAU | 109.6° | 109.5° |
| CBE | CAV | OAB | 116.2° | 120.0° |
| CAV | CBE | H2 | 106.3° | 109.5° |
| CBE | CAU | OAA | 119.3° | 120.0° |
| CBE | CAU | OAE | 115.1° | 120.0° |
| CAU | CBE | H2 | 105.8° | 109.5° |
| CAV | OAB | H3 | 109.5° | 117.0° |
| CBC | CAN | CAO | 109.7° | 114.8° |
| CAN | CBC | SAT | 108.5° | 109.7° |
| CBC | CAN | H12 | 125.1° | 122.6° |
| CAN | CAO | CBD | 117.1° | 114.7° |
| CAO | CAN | H12 | 125.1° | 122.6° |
| CAN | CAO | H14 | 121.4° | 122.7° |
| CBC | SAT | CBD | 96.5° | 91.2° |
| OAA | CAU | OAE | 125.6° | 120.0° |
| CAU | OAE | H1 | 109.5° | 117.0° |
| CAO | CBD | SAT | 104.6° | 109.7° |
| CAO | CBD | CAX | 115.5° | 125.2° |
| CBD | CAO | H14 | 121.4° | 122.6° |
| SAT | CBD | CAX | 134.3° | 125.2° |
| CBD | CAX | OAD | 122.3° | 119.9° |
| CBD | CAX | CBB | 115.3° | 120.0° |
| OAD | CAX | CBB | 122.4° | 120.1° |
| CAX | CBB | CAQ | 116.4° | 120.2° |
| CAX | CBB | CAM | 124.6° | 120.1° |
| CAQ | CBB | CAM | 116.1° | 119.7° |
| CBB | CAQ | CAY | 125.0° | 119.8° |
| CBB | CAQ | H15 | 117.5° | 120.0° |
| CBB | CAM | CAI | 120.2° | 119.9° |
| CBB | CAM | H18 | 119.9° | 120.1° |
| CAQ | CAY | IAG | 112.0° | 119.9° |
| CAQ | CAY | CAJ | 118.2° | 120.2° |
| CAY | CAQ | H15 | 117.5° | 120.1° |
| IAG | CAY | CAJ | 129.8° | 119.9° |
| CAM | CAI | CAJ | 121.9° | 120.1° |
| CAM | CAI | H17 | 119.0° | 119.9° |
| CAI | CAM | H18 | 119.9° | 120.0° |
| CAY | CAJ | CAI | 117.3° | 120.3° |
| CAY | CAJ | H16 | 121.4° | 119.9° |
| CAI | CAJ | H16 | 121.3° | 119.8° |
| CAJ | CAI | H17 | 119.0° | 120.0° |
| H4 | CAR | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAH | CAL | H8 | 180.0° | 180.0° |
| CAH | CAK | CAZ | H7 | 180.0° | 179.9° |
| CAK | CAH | CAL | CBA | 6.8° | 0.2° |
| CAH | CAK | CAZ | CAR | 176.8° | 180.0° |
| CAH | CAK | CAZ | CAP | 4.6° | 0.3° |
| CAK | CAH | CAL | H9 | 173.3° | 180.0° |
| CAL | CAH | CAK | CAZ | 0.7° | 0.0° |
| CAH | CAL | CBA | H9 | 180.0° | 179.8° |
| CAH | CAL | CBA | CAP | 19.2° | 0.1° |
| CAH | CAL | CBA | NAS | 174.5° | 180.0° |
| CAL | CAH | CAK | H7 | 179.3° | 179.9° |
| CAK | CAZ | CAR | CAP | 178.6° | 179.7° |
| CAK | CAZ | CAP | CBA | 18.9° | 0.3° |
| CAK | CAZ | CAR | CBE | 113.6° | 90.3° |
| CAK | CAZ | CAR | H4 | 5.9° | 149.8° |
| CAK | CAZ | CAR | H5 | 126.9° | 29.7° |
| CAK | CAZ | CAP | H6 | 161.0° | 179.8° |
| CAZ | CAK | CAH | H8 | 179.3° | 180.0° |
| CAL | CBA | CAP | CAZ | 25.6° | 0.1° |
| CAL | CBA | CAP | NAS | 156.7° | 179.8° |
| CAL | CBA | NAS | CAW | 26.0° | 143.6° |
| CAL | CBA | CAP | H6 | 154.4° | 180.0° |
| CBA | CAL | CAH | H8 | 173.2° | 179.8° |
| CAL | CBA | NAS | H10 | 154.0° | 36.4° |
| OAC | CAW | NAS | CBA | 30.0° | 4.9° |
| OAC | CAW | NAS | CBC | 150.1° | 180.0° |
| OAC | CAW | CBC | CAN | 6.4° | 0.3° |
| OAC | CAW | CBC | SAT | 168.5° | 180.0° |
| OAC | CAW | NAS | H10 | 150.0° | 175.2° |
| CAR | CAZ | CAP | CBA | 162.4° | 180.0° |
| CAZ | CAR | CBE | H4 | 119.5° | 120.0° |
| CAZ | CAR | CBE | H5 | 119.4° | 120.0° |
| CAZ | CAR | CBE | CAV | 165.4° | 175.0° |
| CAZ | CAR | CBE | CAU | 67.1° | 65.0° |
| CAZ | CAR | CBE | H2 | 49.5° | 55.0° |
| CAZ | CAR | H4 | H5 | 121.6° | 120.0° |
| CAR | CAZ | CAP | H6 | 17.6° | 0.0° |
| CAR | CAZ | CAK | H7 | 3.2° | 0.0° |
| CAZ | CAP | CBA | H6 | 180.0° | 179.9° |
| CAZ | CAP | CBA | NAS | 177.6° | 179.7° |
| CAP | CAZ | CAR | CBE | 67.8° | 90.0° |
| CAP | CAZ | CAR | H4 | 172.7° | 29.9° |
| CAP | CAZ | CAR | H5 | 51.6° | 150.0° |
| CAP | CAZ | CAK | H7 | 175.4° | 179.7° |
| CAP | CBA | NAS | CAW | 179.3° | 36.6° |
| CAP | CBA | CAL | H9 | 160.9° | 179.9° |
| CAP | CBA | NAS | H10 | 0.7° | 143.4° |
| CBA | NAS | CAW | H10 | 180.0° | 180.0° |
| CBA | NAS | CAW | CBC | 179.9° | 175.2° |
| NAS | CBA | CAP | H6 | 2.4° | 0.2° |
| NAS | CBA | CAL | H9 | 5.6° | 0.2° |
| CAR | CBE | CAV | OAF | 136.8° | 0.1° |
| CAR | CBE | CAV | CAU | 130.6° | 120.0° |
| CAR | CBE | CAV | H2 | 115.5° | 120.1° |
| CAR | CBE | CAU | H2 | 116.4° | 120.0° |
| CAR | CBE | CAV | OAB | 44.9° | 180.0° |
| CAR | CBE | CAU | OAA | 112.9° | 120.0° |
| CAR | CBE | CAU | OAE | 65.1° | 60.3° |
| CBE | CAR | H4 | H5 | 121.6° | 120.0° |
| NAS | CAW | CBC | CAN | 159.4° | 179.7° |
| NAS | CAW | CBC | SAT | 38.5° | 0.0° |
| CAW | CBC | CAN | SAT | 165.1° | 179.7° |
| CAW | CBC | CAN | CAO | 178.4° | 180.0° |
| CAW | CBC | SAT | CBD | 178.2° | 180.0° |
| CBC | CAW | NAS | H10 | 0.1° | 4.8° |
| CAW | CBC | CAN | H12 | 1.5° | 0.0° |
| OAF | CAV | CBE | OAB | 178.3° | 179.9° |
| OAF | CAV | CBE | CAU | 92.5° | 120.0° |
| OAF | CAV | CBE | H2 | 21.4° | 120.0° |
| OAF | CAV | OAB | H3 | 0.0° | 0.1° |
| CAV | CBE | CAU | H2 | 114.2° | 120.0° |
| CAV | CBE | CAU | OAA | 117.8° | 0.0° |
| CAV | CBE | CAU | OAE | 64.2° | 179.7° |
| CBE | CAV | OAB | H3 | 178.1° | 180.0° |
| CAV | CBE | CAR | H4 | 45.9° | 55.0° |
| CAV | CBE | CAR | H5 | 75.2° | 64.9° |
| CAU | CBE | CAV | OAB | 85.7° | 60.0° |
| CBE | CAU | OAA | OAE | 177.8° | 179.7° |
| CBE | CAU | OAE | H1 | 177.9° | 179.7° |
| CAU | CBE | CAR | H4 | 173.5° | 175.0° |
| CAU | CBE | CAR | H5 | 52.4° | 55.0° |
| OAB | CAV | CBE | H2 | 160.3° | 59.9° |
| CBC | CAN | CAO | H12 | 180.0° | 180.0° |
| CBC | CAN | CAO | CBD | 1.8° | 0.1° |
| CAN | CBC | SAT | CBD | 17.7° | 0.3° |
| CBC | CAN | CAO | H14 | 178.2° | 180.0° |
| CAO | CAN | CBC | SAT | 13.3° | 0.3° |
| CAN | CAO | CBD | H14 | 180.0° | 179.9° |
| CAN | CAO | CBD | SAT | 10.7° | 0.1° |
| CAN | CAO | CBD | CAX | 168.4° | 179.9° |
| CBC | SAT | CBD | CAO | 15.7° | 0.2° |
| CBC | SAT | CBD | CAX | 167.1° | 180.0° |
| SAT | CBC | CAN | H12 | 166.7° | 179.7° |
| OAA | CAU | OAE | H1 | 0.0° | 0.1° |
| OAA | CAU | CBE | H2 | 3.5° | 120.0° |
| OAE | CAU | CBE | H2 | 178.4° | 59.7° |
| CAO | CBD | SAT | CAX | 151.4° | 179.8° |
| CAO | CBD | CAX | OAD | 121.5° | 6.7° |
| CAO | CBD | CAX | CBB | 57.5° | 173.3° |
| CBD | CAO | CAN | H12 | 178.1° | 179.9° |
| SAT | CBD | CAX | OAD | 27.6° | 173.0° |
| SAT | CBD | CAX | CBB | 153.4° | 7.0° |
| SAT | CBD | CAO | H14 | 169.3° | 179.8° |
| CBD | CAX | OAD | CBB | 179.0° | 180.0° |
| CBD | CAX | CBB | CAQ | 34.9° | 151.7° |
| CBD | CAX | CBB | CAM | 165.4° | 28.5° |
| CAX | CBD | CAO | H14 | 11.6° | 0.0° |
| OAD | CAX | CBB | CAQ | 146.1° | 28.3° |
| OAD | CAX | CBB | CAM | 13.6° | 151.5° |
| CAX | CBB | CAQ | CAM | 161.4° | 179.7° |
| CAX | CBB | CAQ | CAY | 173.2° | 180.0° |
| CAX | CBB | CAM | CAI | 173.3° | 179.7° |
| CAX | CBB | CAQ | H15 | 6.8° | 0.0° |
| CAX | CBB | CAM | H18 | 6.6° | 0.0° |
| CBB | CAQ | CAY | H15 | 180.0° | 180.0° |
| CBB | CAQ | CAY | IAG | 175.2° | 180.0° |
| CAQ | CBB | CAM | CAI | 13.6° | 0.6° |
| CBB | CAQ | CAY | CAJ | 4.7° | 0.0° |
| CAQ | CBB | CAM | H18 | 166.3° | 179.8° |
| CAM | CBB | CAQ | CAY | 11.8° | 0.3° |
| CBB | CAM | CAI | H18 | 180.0° | 179.7° |
| CBB | CAM | CAI | CAJ | 9.3° | 0.6° |
| CAM | CBB | CAQ | H15 | 168.2° | 179.8° |
| CBB | CAM | CAI | H17 | 170.7° | 179.7° |
| CAQ | CAY | IAG | CAJ | 179.9° | 180.0° |
| CAQ | CAY | CAJ | CAI | 0.5° | 0.0° |
| CAQ | CAY | CAJ | H16 | 179.5° | 180.0° |
| IAG | CAY | CAJ | CAI | 179.6° | 180.0° |
| IAG | CAY | CAQ | H15 | 4.8° | 0.1° |
| IAG | CAY | CAJ | H16 | 0.4° | 0.1° |
| CAM | CAI | CAJ | CAY | 1.9° | 0.3° |
| CAM | CAI | CAJ | H17 | 180.0° | 179.7° |
| CAM | CAI | CAJ | H16 | 178.1° | 179.8° |
| CAY | CAJ | CAI | H16 | 180.0° | 180.0° |
| CAJ | CAY | CAQ | H15 | 175.3° | 180.0° |
| CAY | CAJ | CAI | H17 | 178.1° | 180.0° |
| CAJ | CAI | CAM | H18 | 170.6° | 179.7° |
| H2 | CBE | CAR | H4 | 70.0° | 65.0° |
| H2 | CBE | CAR | H5 | 169.0° | 175.0° |
| H7 | CAK | CAH | H8 | 0.7° | 0.1° |
| H8 | CAH | CAL | H9 | 6.7° | 0.0° |
| H12 | CAN | CAO | H14 | 1.9° | 0.0° |
| H16 | CAJ | CAI | H17 | 1.9° | 0.0° |
| H17 | CAI | CAM | H18 | 9.4° | 0.0° |
