4B8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAN | sing | 1.36Å | 1.39Å | |
| CAN | CAE | doub | 1.39Å | 1.25Å | Aromatic |
| CAN | CAF | sing | 1.39Å | 1.52Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAQ | doub | 1.40Å | 1.51Å | Aromatic |
| CAH | CAQ | sing | 1.40Å | 1.26Å | Aromatic |
| CAQ | CAT | sing | 1.48Å | 1.36Å | |
| CAT | NAK | doub | 1.31Å | 1.33Å | Aromatic |
| CAT | OAM | sing | 1.35Å | 1.33Å | Aromatic |
| NAK | NAL | sing | 1.29Å | 1.19Å | Aromatic |
| OAM | CAU | sing | 1.35Å | 1.29Å | Aromatic |
| NAL | CAU | doub | 1.31Å | 1.36Å | Aromatic |
| CAU | CAR | sing | 1.48Å | 1.31Å | |
| CAR | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAR | CAJ | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | CAO | sing | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CLAC | sing | 1.74Å | 1.68Å | |
| CAO | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CLAD | sing | 1.74Å | 1.74Å | |
| CAS | OAB | sing | 1.36Å | 1.36Å | |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| OAB | H2 | sing | 0.97Å | 0.95Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| OAA | H6 | sing | 0.97Å | 0.95Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAN | CAE | 129.1° | 119.9° |
| OAA | CAN | CAF | 110.1° | 119.9° |
| CAN | OAA | H6 | 109.5° | 114.0° |
| CAE | CAN | CAF | 120.6° | 120.2° |
| CAN | CAE | CAG | 122.5° | 120.1° |
| CAN | CAE | H5 | 118.8° | 119.9° |
| CAN | CAF | CAH | 117.0° | 120.1° |
| CAN | CAF | H7 | 121.5° | 119.9° |
| CAE | CAG | CAQ | 117.0° | 119.9° |
| CAE | CAG | H4 | 121.5° | 120.1° |
| CAG | CAE | H5 | 118.8° | 120.0° |
| CAF | CAH | CAQ | 121.8° | 119.9° |
| CAH | CAF | H7 | 121.5° | 120.0° |
| CAF | CAH | H8 | 119.1° | 120.1° |
| CAG | CAQ | CAH | 120.6° | 119.8° |
| CAG | CAQ | CAT | 109.7° | 120.1° |
| CAQ | CAG | H4 | 121.5° | 120.0° |
| CAH | CAQ | CAT | 128.8° | 120.1° |
| CAQ | CAH | H8 | 119.1° | 120.0° |
| CAQ | CAT | NAK | 131.4° | 126.2° |
| CAQ | CAT | OAM | 118.4° | 126.3° |
| NAK | CAT | OAM | 110.2° | 107.4° |
| CAT | NAK | NAL | 108.4° | 109.4° |
| CAT | OAM | CAU | 102.8° | 106.3° |
| NAK | NAL | CAU | 108.7° | 109.4° |
| OAM | CAU | NAL | 109.9° | 107.4° |
| OAM | CAU | CAR | 126.5° | 126.3° |
| NAL | CAU | CAR | 123.4° | 126.3° |
| CAU | CAR | CAI | 117.7° | 120.1° |
| CAU | CAR | CAJ | 121.0° | 120.1° |
| CAI | CAR | CAJ | 121.4° | 119.8° |
| CAR | CAI | CAO | 119.7° | 120.0° |
| CAR | CAI | H1 | 120.2° | 120.0° |
| CAR | CAJ | CAP | 119.4° | 119.9° |
| CAR | CAJ | H3 | 120.3° | 120.0° |
| CAI | CAO | CLAC | 119.8° | 120.0° |
| CAI | CAO | CAS | 118.8° | 120.1° |
| CAO | CAI | H1 | 120.2° | 120.0° |
| CAJ | CAP | CAS | 118.4° | 120.1° |
| CAJ | CAP | CLAD | 120.9° | 120.0° |
| CAP | CAJ | H3 | 120.3° | 120.0° |
| CLAC | CAO | CAS | 121.4° | 119.9° |
| CAO | CAS | CAP | 122.4° | 120.2° |
| CAO | CAS | OAB | 118.8° | 119.9° |
| CAS | CAP | CLAD | 120.7° | 120.0° |
| CAP | CAS | OAB | 118.8° | 119.9° |
| CAS | OAB | H2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAN | CAE | CAF | 174.3° | 180.0° |
| OAA | CAN | CAE | CAG | 177.9° | 180.0° |
| OAA | CAN | CAF | CAH | 178.7° | 179.7° |
| OAA | CAN | CAE | H5 | 2.1° | 0.0° |
| OAA | CAN | CAF | H7 | 1.3° | 0.0° |
| CAN | CAE | CAG | H5 | 180.0° | 180.0° |
| CAE | CAN | CAF | CAH | 3.4° | 0.3° |
| CAN | CAE | CAG | CAQ | 5.0° | 0.0° |
| CAN | CAE | CAG | H4 | 175.0° | 180.0° |
| CAE | CAN | OAA | H6 | 180.0° | 90.0° |
| CAE | CAN | CAF | H7 | 176.7° | 180.0° |
| CAF | CAN | CAE | CAG | 3.5° | 0.0° |
| CAN | CAF | CAH | H7 | 180.0° | 179.8° |
| CAN | CAF | CAH | CAQ | 5.4° | 0.5° |
| CAF | CAN | CAE | H5 | 176.5° | 180.0° |
| CAF | CAN | OAA | H6 | 5.2° | 90.0° |
| CAN | CAF | CAH | H8 | 174.6° | 180.0° |
| CAE | CAG | CAQ | H4 | 180.0° | 179.9° |
| CAE | CAG | CAQ | CAH | 6.8° | 0.2° |
| CAE | CAG | CAQ | CAT | 177.2° | 180.0° |
| CAF | CAH | CAQ | CAG | 7.1° | 0.5° |
| CAF | CAH | CAQ | H8 | 180.0° | 179.5° |
| CAF | CAH | CAQ | CAT | 175.5° | 179.7° |
| CAG | CAQ | CAH | CAT | 168.4° | 179.8° |
| CAG | CAQ | CAT | NAK | 19.2° | 0.1° |
| CAG | CAQ | CAT | OAM | 160.8° | 180.0° |
| CAQ | CAG | CAE | H5 | 175.0° | 180.0° |
| CAG | CAQ | CAH | H8 | 172.8° | 180.0° |
| CAH | CAQ | CAT | NAK | 150.1° | 179.7° |
| CAH | CAQ | CAT | OAM | 29.8° | 0.2° |
| CAH | CAQ | CAG | H4 | 173.2° | 179.7° |
| CAQ | CAH | CAF | H7 | 174.7° | 179.7° |
| CAQ | CAT | NAK | OAM | 180.0° | 179.9° |
| CAQ | CAT | NAK | NAL | 179.8° | 179.9° |
| CAQ | CAT | OAM | CAU | 178.9° | 179.8° |
| CAT | CAQ | CAG | H4 | 2.8° | 0.1° |
| CAT | CAQ | CAH | H8 | 4.5° | 0.2° |
| NAK | CAT | OAM | CAU | 1.1° | 0.1° |
| CAT | NAK | NAL | CAU | 1.5° | 0.1° |
| OAM | CAT | NAK | NAL | 0.3° | 0.0° |
| CAT | OAM | CAU | NAL | 2.0° | 0.2° |
| CAT | OAM | CAU | CAR | 176.9° | 180.0° |
| NAK | NAL | CAU | OAM | 2.3° | 0.2° |
| NAK | NAL | CAU | CAR | 177.4° | 180.0° |
| OAM | CAU | NAL | CAR | 175.1° | 179.8° |
| OAM | CAU | CAR | CAI | 0.4° | 180.0° |
| OAM | CAU | CAR | CAJ | 179.9° | 0.5° |
| NAL | CAU | CAR | CAI | 174.7° | 0.2° |
| NAL | CAU | CAR | CAJ | 5.6° | 179.8° |
| CAU | CAR | CAI | CAJ | 179.7° | 179.5° |
| CAU | CAR | CAI | CAO | 178.7° | 180.0° |
| CAU | CAR | CAJ | CAP | 178.9° | 180.0° |
| CAU | CAR | CAI | H1 | 1.3° | 0.2° |
| CAU | CAR | CAJ | H3 | 1.1° | 0.2° |
| CAR | CAI | CAO | H1 | 180.0° | 179.8° |
| CAI | CAR | CAJ | CAP | 0.8° | 0.5° |
| CAR | CAI | CAO | CLAC | 179.8° | 179.7° |
| CAR | CAI | CAO | CAS | 0.8° | 0.2° |
| CAI | CAR | CAJ | H3 | 179.2° | 179.7° |
| CAJ | CAR | CAI | CAO | 1.0° | 0.5° |
| CAR | CAJ | CAP | H3 | 180.0° | 179.8° |
| CAR | CAJ | CAP | CAS | 0.3° | 0.2° |
| CAR | CAJ | CAP | CLAD | 179.8° | 179.8° |
| CAJ | CAR | CAI | H1 | 178.9° | 179.7° |
| CAI | CAO | CLAC | CAS | 179.5° | 179.9° |
| CAI | CAO | CAS | CAP | 0.3° | 0.1° |
| CAI | CAO | CAS | OAB | 179.8° | 180.0° |
| CAJ | CAP | CAS | CAO | 0.0° | 0.1° |
| CAJ | CAP | CAS | CLAD | 179.9° | 180.0° |
| CAJ | CAP | CAS | OAB | 180.0° | 180.0° |
| CLAC | CAO | CAS | CAP | 179.7° | 180.0° |
| CLAC | CAO | CAS | OAB | 0.3° | 0.1° |
| CLAC | CAO | CAI | H1 | 0.2° | 0.1° |
| CAO | CAS | CAP | OAB | 180.0° | 180.0° |
| CAO | CAS | CAP | CLAD | 180.0° | 180.0° |
| CAS | CAO | CAI | H1 | 179.2° | 180.0° |
| CAO | CAS | OAB | H2 | 180.0° | 90.0° |
| CAP | CAS | OAB | H2 | 0.0° | 90.0° |
| CAS | CAP | CAJ | H3 | 179.7° | 180.0° |
| CLAD | CAP | CAS | OAB | 0.0° | 0.0° |
| CLAD | CAP | CAJ | H3 | 0.3° | 0.0° |
| H4 | CAG | CAE | H5 | 5.0° | 0.1° |
| H7 | CAF | CAH | H8 | 5.3° | 0.2° |
