3O8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAH | doub | 1.38Å | 1.32Å | Aromatic |
| CAG | CAW | sing | 1.39Å | 1.34Å | Aromatic |
| CAH | CAX | sing | 1.39Å | 1.34Å | Aromatic |
| CAW | OAE | sing | 1.36Å | 1.36Å | |
| CAW | CBC | doub | 1.40Å | 1.35Å | Aromatic |
| CAX | OAF | sing | 1.36Å | 1.40Å | |
| CAX | CBD | doub | 1.40Å | 1.37Å | Aromatic |
| CBC | CBD | sing | 1.41Å | 1.37Å | Aromatic |
| CBC | CBA | sing | 1.48Å | 1.49Å | |
| CBD | CBB | sing | 1.48Å | 1.46Å | |
| OAB | CBB | doub | 1.22Å | 1.37Å | |
| OAA | CBA | doub | 1.22Å | 1.35Å | |
| CBB | CBF | sing | 1.47Å | 1.46Å | |
| CBA | CBE | sing | 1.47Å | 1.50Å | |
| CBF | CBE | doub | 1.41Å | 1.44Å | Aromatic |
| CBF | CAZ | sing | 1.40Å | 1.41Å | Aromatic |
| CBE | CAY | sing | 1.40Å | 1.46Å | Aromatic |
| NAV | CAZ | sing | 1.39Å | 1.42Å | |
| CAZ | CAJ | doub | 1.40Å | 1.37Å | Aromatic |
| CAY | NAU | sing | 1.39Å | 1.48Å | |
| CAY | CAI | doub | 1.40Å | 1.36Å | Aromatic |
| NAU | CAQ | sing | 1.47Å | 1.51Å | |
| CAJ | CAI | sing | 1.37Å | 1.36Å | Aromatic |
| CAQ | CAO | sing | 1.53Å | 1.56Å | |
| CAO | NAS | sing | 1.47Å | 1.50Å | |
| NAS | CAM | sing | 1.47Å | 1.50Å | |
| OAC | CAK | sing | 1.43Å | 1.42Å | |
| CAM | CAK | sing | 1.53Å | 1.54Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| NAS | H6 | sing | 1.01Å | 1.00Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAQ | H10 | sing | 1.09Å | 1.10Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| NAV | H15 | sing | 0.97Å | 1.00Å | |
| NAV | H16 | sing | 0.97Å | 1.00Å | |
| OAE | H17 | sing | 0.97Å | 0.95Å | |
| CAG | H18 | sing | 1.08Å | 1.08Å | |
| CAH | H19 | sing | 1.08Å | 1.08Å | |
| OAF | H20 | sing | 0.97Å | 0.95Å | |
| CAQ | H7 | sing | 1.09Å | 1.10Å | |
| NAU | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAG | CAW | 121.3° | 120.5° |
| CAG | CAH | CAX | 121.0° | 120.5° |
| CAH | CAG | H18 | 119.4° | 119.8° |
| CAG | CAH | H19 | 119.5° | 119.7° |
| CAG | CAW | OAE | 124.6° | 120.1° |
| CAG | CAW | CBC | 120.0° | 119.8° |
| CAW | CAG | H18 | 119.3° | 119.7° |
| CAH | CAX | OAF | 128.6° | 120.1° |
| CAH | CAX | CBD | 118.5° | 119.8° |
| CAX | CAH | H19 | 119.5° | 119.8° |
| OAE | CAW | CBC | 115.3° | 120.1° |
| CAW | OAE | H17 | 109.5° | 114.0° |
| CAW | CBC | CBD | 118.5° | 119.7° |
| CAW | CBC | CBA | 121.9° | 120.6° |
| OAF | CAX | CBD | 112.9° | 120.1° |
| CAX | OAF | H20 | 109.5° | 114.1° |
| CAX | CBD | CBC | 120.6° | 119.7° |
| CAX | CBD | CBB | 117.6° | 120.6° |
| CBD | CBC | CBA | 119.5° | 119.7° |
| CBC | CBD | CBB | 121.7° | 119.7° |
| CBC | CBA | OAA | 117.8° | 120.4° |
| CBC | CBA | CBE | 120.8° | 119.2° |
| CBD | CBB | OAB | 118.6° | 120.4° |
| CBD | CBB | CBF | 119.7° | 119.2° |
| OAB | CBB | CBF | 121.7° | 120.4° |
| OAA | CBA | CBE | 121.5° | 120.5° |
| CBB | CBF | CBE | 121.4° | 119.7° |
| CBB | CBF | CAZ | 118.1° | 120.6° |
| CBA | CBE | CBF | 116.8° | 119.7° |
| CBA | CBE | CAY | 123.6° | 120.6° |
| CBE | CBF | CAZ | 120.5° | 119.7° |
| CBF | CBE | CAY | 119.6° | 119.7° |
| CBF | CAZ | NAV | 122.3° | 120.1° |
| CBF | CAZ | CAJ | 116.1° | 119.7° |
| CBE | CAY | NAU | 125.4° | 120.1° |
| CBE | CAY | CAI | 116.5° | 119.8° |
| NAV | CAZ | CAJ | 121.6° | 120.2° |
| CAZ | NAV | H15 | 109.5° | 120.0° |
| CAZ | NAV | H16 | 109.5° | 120.0° |
| CAZ | CAJ | CAI | 125.0° | 120.6° |
| CAZ | CAJ | H12 | 117.5° | 119.7° |
| NAU | CAY | CAI | 118.0° | 120.1° |
| CAY | NAU | CAQ | 122.1° | 120.0° |
| CAY | NAU | H21 | 106.2° | 120.0° |
| CAY | CAI | CAJ | 122.3° | 120.5° |
| CAY | CAI | H11 | 118.8° | 119.7° |
| NAU | CAQ | CAO | 116.9° | 109.5° |
| NAU | CAQ | H10 | 107.6° | 109.5° |
| NAU | CAQ | H7 | 107.6° | 109.5° |
| CAQ | NAU | H21 | 106.2° | 120.0° |
| CAJ | CAI | H11 | 118.8° | 119.7° |
| CAI | CAJ | H12 | 117.5° | 119.7° |
| CAQ | CAO | NAS | 112.5° | 109.4° |
| CAQ | CAO | H8 | 108.7° | 109.4° |
| CAQ | CAO | H9 | 108.7° | 109.5° |
| CAO | CAQ | H10 | 107.6° | 109.5° |
| CAO | CAQ | H7 | 107.6° | 109.5° |
| CAO | NAS | CAM | 115.5° | 111.0° |
| CAO | NAS | H6 | 107.9° | 111.0° |
| NAS | CAO | H8 | 108.7° | 109.5° |
| NAS | CAO | H9 | 108.7° | 109.5° |
| NAS | CAM | CAK | 115.9° | 109.5° |
| NAS | CAM | H4 | 107.8° | 109.5° |
| NAS | CAM | H5 | 107.8° | 109.5° |
| CAM | NAS | H6 | 107.9° | 111.0° |
| OAC | CAK | CAM | 114.9° | 109.5° |
| CAK | OAC | H1 | 109.5° | 114.0° |
| OAC | CAK | H2 | 108.1° | 109.5° |
| OAC | CAK | H3 | 108.1° | 109.5° |
| CAM | CAK | H2 | 108.1° | 109.5° |
| CAM | CAK | H3 | 108.1° | 109.5° |
| CAK | CAM | H4 | 107.8° | 109.4° |
| CAK | CAM | H5 | 107.8° | 109.5° |
| H2 | CAK | H3 | 109.5° | 109.4° |
| H4 | CAM | H5 | 109.4° | 109.5° |
| H8 | CAO | H9 | 109.5° | 109.5° |
| H10 | CAQ | H7 | 109.5° | 109.4° |
| H15 | NAV | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAG | CAW | H18 | 180.0° | 180.0° |
| CAG | CAH | CAX | H19 | 180.0° | 179.9° |
| CAH | CAG | CAW | OAE | 176.6° | 180.0° |
| CAH | CAG | CAW | CBC | 0.8° | 0.0° |
| CAG | CAH | CAX | OAF | 179.7° | 179.9° |
| CAG | CAH | CAX | CBD | 0.2° | 0.1° |
| CAW | CAG | CAH | CAX | 0.6° | 0.0° |
| CAG | CAW | OAE | CBC | 176.0° | 180.0° |
| CAG | CAW | CBC | CBD | 0.2° | 0.1° |
| CAG | CAW | CBC | CBA | 176.7° | 180.0° |
| CAG | CAW | OAE | H17 | 176.6° | 90.0° |
| CAW | CAG | CAH | H19 | 179.4° | 179.9° |
| CAH | CAX | OAF | CBD | 179.9° | 179.9° |
| CAH | CAX | CBD | CBC | 0.8° | 0.1° |
| CAH | CAX | CBD | CBB | 179.6° | 179.9° |
| CAX | CAH | CAG | H18 | 179.4° | 180.0° |
| CAH | CAX | OAF | H20 | 180.0° | 89.9° |
| OAE | CAW | CBC | CBD | 176.4° | 180.0° |
| OAE | CAW | CBC | CBA | 0.5° | 0.1° |
| OAE | CAW | CAG | H18 | 3.4° | 0.0° |
| CAW | CBC | CBD | CAX | 0.5° | 0.1° |
| CAW | CBC | CBD | CBA | 177.0° | 179.9° |
| CAW | CBC | CBD | CBB | 179.4° | 179.9° |
| CAW | CBC | CBA | OAA | 0.1° | 13.8° |
| CAW | CBC | CBA | CBE | 179.5° | 166.3° |
| CBC | CAW | OAE | H17 | 0.6° | 90.0° |
| CBC | CAW | CAG | H18 | 179.2° | 180.0° |
| OAF | CAX | CBD | CBC | 179.2° | 180.0° |
| OAF | CAX | CBD | CBB | 0.3° | 0.0° |
| OAF | CAX | CAH | H19 | 0.3° | 0.1° |
| CAX | CBD | CBC | CBB | 178.8° | 180.0° |
| CAX | CBD | CBC | CBA | 177.5° | 180.0° |
| CAX | CBD | CBB | OAB | 0.7° | 13.7° |
| CAX | CBD | CBB | CBF | 178.9° | 166.3° |
| CBD | CAX | CAH | H19 | 179.8° | 180.0° |
| CBD | CAX | OAF | H20 | 0.1° | 89.9° |
| CBC | CBD | CBB | OAB | 179.5° | 166.3° |
| CBD | CBC | CBA | OAA | 177.0° | 166.3° |
| CBC | CBD | CBB | CBF | 2.3° | 13.6° |
| CBD | CBC | CBA | CBE | 2.6° | 13.6° |
| CBA | CBC | CBD | CBB | 3.6° | 0.0° |
| CBC | CBA | OAA | CBE | 179.6° | 179.9° |
| CBC | CBA | CBE | CBF | 0.1° | 13.6° |
| CBC | CBA | CBE | CAY | 179.4° | 166.3° |
| CBD | CBB | OAB | CBF | 178.1° | 179.9° |
| CBD | CBB | CBF | CBE | 0.3° | 13.7° |
| CBD | CBB | CBF | CAZ | 178.4° | 166.3° |
| OAB | CBB | CBF | CBE | 177.8° | 166.3° |
| OAB | CBB | CBF | CAZ | 0.2° | 13.8° |
| OAA | CBA | CBE | CBF | 179.5° | 166.4° |
| OAA | CBA | CBE | CAY | 0.2° | 13.7° |
| CBB | CBF | CBE | CBA | 1.2° | 0.1° |
| CBB | CBF | CBE | CAZ | 178.0° | 180.0° |
| CBB | CBF | CBE | CAY | 178.1° | 180.0° |
| CBB | CBF | CAZ | NAV | 0.5° | 0.1° |
| CBB | CBF | CAZ | CAJ | 179.2° | 179.7° |
| CBA | CBE | CBF | CAY | 179.3° | 179.9° |
| CBA | CBE | CBF | CAZ | 179.3° | 179.9° |
| CBA | CBE | CAY | NAU | 2.4° | 0.1° |
| CBA | CBE | CAY | CAI | 179.7° | 179.8° |
| CBE | CBF | CAZ | NAV | 177.6° | 179.9° |
| CBE | CBF | CAZ | CAJ | 1.1° | 0.3° |
| CBF | CBE | CAY | NAU | 178.4° | 180.0° |
| CBF | CBE | CAY | CAI | 1.1° | 0.3° |
| CAZ | CBF | CBE | CAY | 0.0° | 0.0° |
| CBF | CAZ | NAV | CAJ | 178.7° | 179.6° |
| CBF | CAZ | CAJ | CAI | 1.1° | 0.3° |
| CBF | CAZ | CAJ | H12 | 178.9° | 179.8° |
| CBF | CAZ | NAV | H15 | 180.0° | 18.0° |
| CBF | CAZ | NAV | H16 | 60.0° | 162.2° |
| CBE | CAY | NAU | CAI | 177.3° | 179.7° |
| CBE | CAY | NAU | CAQ | 150.0° | 173.4° |
| CBE | CAY | CAI | CAJ | 1.1° | 0.2° |
| CBE | CAY | CAI | H11 | 178.8° | 179.8° |
| CBE | CAY | NAU | H21 | 28.3° | 6.6° |
| NAV | CAZ | CAJ | CAI | 177.6° | 180.0° |
| NAV | CAZ | CAJ | H12 | 2.3° | 0.2° |
| CAZ | NAV | H15 | H16 | 120.0° | 179.8° |
| CAZ | CAJ | CAI | CAY | 0.0° | 0.1° |
| CAZ | CAJ | CAI | H12 | 180.0° | 179.9° |
| CAZ | CAJ | CAI | H11 | 179.9° | 179.9° |
| CAJ | CAZ | NAV | H15 | 1.3° | 162.4° |
| CAJ | CAZ | NAV | H16 | 118.7° | 17.5° |
| CAY | NAU | CAQ | H21 | 121.8° | 180.0° |
| NAU | CAY | CAI | CAJ | 178.6° | 180.0° |
| CAY | NAU | CAQ | CAO | 168.6° | 180.0° |
| CAY | NAU | CAQ | H10 | 47.5° | 60.0° |
| NAU | CAY | CAI | H11 | 1.3° | 0.1° |
| CAY | NAU | CAQ | H7 | 70.4° | 60.0° |
| CAI | CAY | NAU | CAQ | 27.3° | 6.3° |
| CAY | CAI | CAJ | H11 | 180.0° | 180.0° |
| CAY | CAI | CAJ | H12 | 179.9° | 179.9° |
| CAI | CAY | NAU | H21 | 149.0° | 173.7° |
| NAU | CAQ | CAO | H10 | 121.1° | 120.0° |
| NAU | CAQ | CAO | H7 | 121.1° | 120.0° |
| NAU | CAQ | CAO | NAS | 141.4° | 180.0° |
| NAU | CAQ | CAO | H8 | 98.2° | 60.0° |
| NAU | CAQ | CAO | H9 | 20.9° | 60.0° |
| NAU | CAQ | H10 | H7 | 116.6° | 120.0° |
| CAQ | CAO | NAS | H8 | 120.4° | 119.9° |
| CAQ | CAO | NAS | H9 | 120.5° | 120.0° |
| CAQ | CAO | NAS | CAM | 78.3° | 180.0° |
| CAQ | CAO | NAS | H6 | 42.6° | 56.0° |
| CAQ | CAO | H8 | H9 | 118.6° | 120.0° |
| CAO | CAQ | H10 | H7 | 116.6° | 120.0° |
| CAO | CAQ | NAU | H21 | 69.7° | 0.0° |
| CAO | NAS | CAM | H6 | 120.9° | 124.0° |
| CAO | NAS | CAM | CAK | 88.2° | 180.0° |
| CAO | NAS | CAM | H4 | 150.8° | 60.1° |
| CAO | NAS | CAM | H5 | 32.7° | 60.0° |
| NAS | CAO | H8 | H9 | 118.6° | 120.1° |
| NAS | CAO | CAQ | H10 | 20.3° | 60.0° |
| NAS | CAO | CAQ | H7 | 97.6° | 60.0° |
| NAS | CAM | CAK | OAC | 118.0° | 65.0° |
| NAS | CAM | CAK | H4 | 121.0° | 120.0° |
| NAS | CAM | CAK | H5 | 120.9° | 120.0° |
| NAS | CAM | CAK | H2 | 121.2° | 55.0° |
| NAS | CAM | CAK | H3 | 2.8° | 175.0° |
| NAS | CAM | H4 | H5 | 117.0° | 120.0° |
| CAM | NAS | CAO | H8 | 161.2° | 60.1° |
| CAM | NAS | CAO | H9 | 42.2° | 60.0° |
| OAC | CAK | CAM | H2 | 120.8° | 120.0° |
| OAC | CAK | CAM | H3 | 120.8° | 120.0° |
| OAC | CAK | H2 | H3 | 117.5° | 119.9° |
| OAC | CAK | CAM | H4 | 121.0° | 175.0° |
| OAC | CAK | CAM | H5 | 2.9° | 55.0° |
| CAM | CAK | OAC | H1 | 180.0° | 180.0° |
| CAM | CAK | H2 | H3 | 117.5° | 120.0° |
| CAK | CAM | H4 | H5 | 117.1° | 120.0° |
| CAK | CAM | NAS | H6 | 32.7° | 56.0° |
| H1 | OAC | CAK | H2 | 59.2° | 59.9° |
| H1 | OAC | CAK | H3 | 59.2° | 60.0° |
| H2 | CAK | CAM | H4 | 0.2° | 65.0° |
| H2 | CAK | CAM | H5 | 117.9° | 175.0° |
| H3 | CAK | CAM | H4 | 118.2° | 55.0° |
| H3 | CAK | CAM | H5 | 123.7° | 65.0° |
| H4 | CAM | NAS | H6 | 88.3° | 63.9° |
| H5 | CAM | NAS | H6 | 153.7° | 176.0° |
| H6 | NAS | CAO | H8 | 77.9° | 63.9° |
| H6 | NAS | CAO | H9 | 163.0° | 176.0° |
| H8 | CAO | CAQ | H10 | 140.7° | 179.9° |
| H8 | CAO | CAQ | H7 | 22.9° | 60.0° |
| H9 | CAO | CAQ | H10 | 100.2° | 60.0° |
| H9 | CAO | CAQ | H7 | 142.0° | 180.0° |
| H10 | CAQ | NAU | H21 | 169.3° | 120.0° |
| H11 | CAI | CAJ | H12 | 0.1° | 0.0° |
| H18 | CAG | CAH | H19 | 0.6° | 0.1° |
| H7 | CAQ | NAU | H21 | 51.4° | 120.0° |
