4P9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | CAE | sing | 1.36Å | 1.37Å | |
| CAD | CAE | doub | 1.39Å | 1.40Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAB | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | OAH | sing | 1.36Å | 1.37Å | |
| CAF | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAA | sing | 1.40Å | 1.41Å | Aromatic |
| CAB | CAJ | sing | 1.47Å | 1.39Å | |
| CAA | OAI | sing | 1.36Å | 1.37Å | |
| CAJ | NAK | doub | 1.30Å | 1.33Å | |
| NAK | NAL | sing | 1.40Å | 1.15Å | |
| CAO | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| NAL | CAM | sing | 1.40Å | 1.34Å | |
| CAR | CLS | sing | 1.74Å | 1.72Å | |
| CAR | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAN | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | CAP | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | H1 | sing | 1.08Å | 1.08Å | |
| CAP | H2 | sing | 1.08Å | 1.08Å | |
| CAQ | H3 | sing | 1.08Å | 1.08Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| NAL | H5 | sing | 0.97Å | 1.00Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| CAC | H9 | sing | 1.08Å | 1.08Å | |
| CAD | H10 | sing | 1.08Å | 1.08Å | |
| OAG | H11 | sing | 0.97Å | 0.95Å | |
| OAH | H12 | sing | 0.97Å | 0.95Å | |
| OAI | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAG | CAE | CAD | 124.7° | 120.0° |
| OAG | CAE | CAF | 116.1° | 119.8° |
| CAE | OAG | H11 | 109.5° | 114.0° |
| CAE | CAD | CAC | 119.7° | 120.3° |
| CAD | CAE | CAF | 119.2° | 120.2° |
| CAE | CAD | H10 | 120.1° | 119.8° |
| CAD | CAC | CAB | 121.3° | 120.0° |
| CAD | CAC | H9 | 119.4° | 119.9° |
| CAC | CAD | H10 | 120.2° | 119.9° |
| CAE | CAF | OAH | 118.2° | 120.0° |
| CAE | CAF | CAA | 121.2° | 120.0° |
| CAC | CAB | CAA | 118.0° | 119.8° |
| CAC | CAB | CAJ | 117.5° | 120.2° |
| CAB | CAC | H9 | 119.3° | 120.0° |
| OAH | CAF | CAA | 120.6° | 120.0° |
| CAF | OAH | H12 | 109.5° | 113.9° |
| CAF | CAA | CAB | 120.6° | 119.7° |
| CAF | CAA | OAI | 117.6° | 120.1° |
| CAA | CAB | CAJ | 124.3° | 120.1° |
| CAB | CAA | OAI | 121.7° | 120.2° |
| CAB | CAJ | NAK | 118.6° | 120.0° |
| CAB | CAJ | H7 | 120.7° | 119.9° |
| CAA | OAI | H13 | 109.5° | 114.0° |
| CAJ | NAK | NAL | 113.5° | 120.0° |
| NAK | CAJ | H7 | 120.7° | 120.0° |
| NAK | NAL | CAM | 121.0° | 120.0° |
| NAK | NAL | H5 | 119.5° | 120.0° |
| CAQ | CAO | CAM | 120.9° | 120.0° |
| CAO | CAQ | CAR | 117.4° | 120.1° |
| CAO | CAQ | H3 | 121.3° | 120.0° |
| CAQ | CAO | H4 | 119.6° | 120.0° |
| CAO | CAM | NAL | 116.3° | 120.1° |
| CAO | CAM | CAN | 120.8° | 119.9° |
| CAM | CAO | H4 | 119.6° | 120.0° |
| CAQ | CAR | CLS | 117.8° | 119.9° |
| CAQ | CAR | CAP | 121.9° | 120.1° |
| CAR | CAQ | H3 | 121.3° | 120.0° |
| NAL | CAM | CAN | 122.5° | 120.1° |
| CAM | NAL | H5 | 119.5° | 120.0° |
| CLS | CAR | CAP | 120.2° | 119.9° |
| CAR | CAP | CAN | 120.4° | 120.1° |
| CAR | CAP | H2 | 119.8° | 120.0° |
| CAM | CAN | CAP | 118.5° | 119.9° |
| CAM | CAN | H1 | 120.7° | 120.0° |
| CAP | CAN | H1 | 120.8° | 120.1° |
| CAN | CAP | H2 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | CAE | CAD | CAF | 179.9° | 180.0° |
| OAG | CAE | CAD | CAC | 179.6° | 180.0° |
| OAG | CAE | CAF | OAH | 0.3° | 0.1° |
| OAG | CAE | CAF | CAA | 179.7° | 180.0° |
| OAG | CAE | CAD | H10 | 0.4° | 0.1° |
| CAE | CAD | CAC | H10 | 180.0° | 179.9° |
| CAE | CAD | CAC | CAB | 1.1° | 0.0° |
| CAD | CAE | CAF | OAH | 179.6° | 179.9° |
| CAD | CAE | CAF | CAA | 0.3° | 0.0° |
| CAE | CAD | CAC | H9 | 178.9° | 180.0° |
| CAD | CAE | OAG | H11 | 180.0° | 90.0° |
| CAC | CAD | CAE | CAF | 0.3° | 0.0° |
| CAD | CAC | CAB | H9 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 3.1° | 0.0° |
| CAD | CAC | CAB | CAJ | 177.8° | 179.7° |
| CAE | CAF | OAH | CAA | 180.0° | 179.9° |
| CAE | CAF | CAA | CAB | 2.4° | 0.0° |
| CAE | CAF | CAA | OAI | 178.9° | 179.8° |
| CAF | CAE | CAD | H10 | 179.7° | 179.9° |
| CAF | CAE | OAG | H11 | 0.0° | 90.0° |
| CAE | CAF | OAH | H12 | 180.0° | 90.1° |
| CAC | CAB | CAA | CAF | 3.8° | 0.0° |
| CAC | CAB | CAA | CAJ | 174.2° | 179.7° |
| CAC | CAB | CAA | OAI | 179.9° | 179.8° |
| CAC | CAB | CAJ | NAK | 171.7° | 179.8° |
| CAC | CAB | CAJ | H7 | 8.3° | 0.3° |
| CAB | CAC | CAD | H10 | 178.9° | 180.0° |
| OAH | CAF | CAA | CAB | 177.5° | 179.9° |
| OAH | CAF | CAA | OAI | 1.1° | 0.3° |
| CAF | CAA | CAB | OAI | 176.3° | 179.8° |
| CAF | CAA | CAB | CAJ | 178.0° | 179.7° |
| CAA | CAF | OAH | H12 | 0.0° | 90.0° |
| CAF | CAA | OAI | H13 | 180.0° | 90.3° |
| CAA | CAB | CAJ | NAK | 2.5° | 0.1° |
| CAA | CAB | CAJ | H7 | 177.5° | 180.0° |
| CAA | CAB | CAC | H9 | 176.9° | 180.0° |
| CAB | CAA | OAI | H13 | 3.6° | 90.0° |
| CAJ | CAB | CAA | OAI | 5.7° | 0.1° |
| CAB | CAJ | NAK | H7 | 180.0° | 179.9° |
| CAB | CAJ | NAK | NAL | 179.7° | 180.0° |
| CAJ | CAB | CAC | H9 | 2.2° | 0.3° |
| CAJ | NAK | NAL | CAM | 179.4° | 180.0° |
| CAJ | NAK | NAL | H5 | 0.5° | 0.1° |
| NAK | NAL | CAM | CAO | 171.7° | 180.0° |
| NAK | NAL | CAM | H5 | 180.0° | 179.9° |
| NAK | NAL | CAM | CAN | 0.5° | 0.5° |
| NAL | NAK | CAJ | H7 | 0.3° | 0.1° |
| CAQ | CAO | CAM | H4 | 180.0° | 179.7° |
| CAO | CAQ | CAR | H3 | 180.0° | 180.0° |
| CAQ | CAO | CAM | NAL | 176.9° | 180.0° |
| CAO | CAQ | CAR | CLS | 180.0° | 180.0° |
| CAO | CAQ | CAR | CAP | 0.8° | 0.0° |
| CAQ | CAO | CAM | CAN | 4.6° | 0.6° |
| CAM | CAO | CAQ | CAR | 1.8° | 0.3° |
| CAO | CAM | NAL | CAN | 172.1° | 179.5° |
| CAO | CAM | CAN | CAP | 4.8° | 0.6° |
| CAO | CAM | CAN | H1 | 175.2° | 179.7° |
| CAM | CAO | CAQ | H3 | 178.2° | 179.7° |
| CAO | CAM | NAL | H5 | 8.3° | 0.1° |
| CAQ | CAR | CLS | CAP | 179.2° | 180.0° |
| CAQ | CAR | CAP | CAN | 0.5° | 0.0° |
| CAQ | CAR | CAP | H2 | 179.5° | 180.0° |
| CAR | CAQ | CAO | H4 | 178.2° | 180.0° |
| NAL | CAM | CAN | CAP | 176.6° | 180.0° |
| NAL | CAM | CAN | H1 | 3.5° | 0.2° |
| NAL | CAM | CAO | H4 | 3.1° | 0.3° |
| CLS | CAR | CAP | CAN | 179.7° | 180.0° |
| CLS | CAR | CAP | H2 | 0.3° | 0.0° |
| CLS | CAR | CAQ | H3 | 0.0° | 0.0° |
| CAR | CAP | CAN | CAM | 2.2° | 0.3° |
| CAR | CAP | CAN | H2 | 180.0° | 180.0° |
| CAR | CAP | CAN | H1 | 177.8° | 180.0° |
| CAP | CAR | CAQ | H3 | 179.2° | 180.0° |
| CAM | CAN | CAP | H1 | 180.0° | 179.7° |
| CAM | CAN | CAP | H2 | 177.8° | 179.7° |
| CAN | CAM | CAO | H4 | 175.4° | 179.8° |
| CAN | CAM | NAL | H5 | 179.5° | 179.4° |
| H1 | CAN | CAP | H2 | 2.2° | 0.0° |
| H3 | CAQ | CAO | H4 | 1.8° | 0.0° |
| H9 | CAC | CAD | H10 | 1.1° | 0.0° |
