2PW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAM | sing | 1.36Å | 1.36Å | |
| CAH | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAA | CAK | sing | 1.53Å | 1.53Å | |
| CAJ | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| OAC | CAO | doub | 1.22Å | 1.23Å | |
| CAK | CAR | sing | 1.53Å | 1.54Å | |
| CAI | CAN | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | CAF | sing | 1.47Å | 1.41Å | |
| CAO | CAQ | sing | 1.47Å | 1.36Å | |
| CAO | NAS | sing | 1.32Å | 1.36Å | |
| CAB | CAR | sing | 1.53Å | 1.53Å | |
| CAF | CAQ | doub | 1.36Å | 1.35Å | |
| CAR | NAS | sing | 1.47Å | 1.51Å | |
| CAQ | SAL | sing | 1.77Å | 1.63Å | |
| NAS | CAP | sing | 1.34Å | 1.34Å | |
| CAP | SAL | sing | 1.77Å | 1.60Å | |
| CAP | SAE | doub | 1.71Å | 1.72Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAR | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAG | H13 | sing | 1.08Å | 1.08Å | |
| OAD | H14 | sing | 0.97Å | 0.95Å | |
| CAH | H15 | sing | 1.08Å | 1.08Å | |
| CAJ | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAM | CAH | 120.3° | 119.9° |
| OAD | CAM | CAG | 120.2° | 119.9° |
| CAM | OAD | H14 | 109.5° | 114.0° |
| CAM | CAH | CAJ | 119.8° | 120.1° |
| CAH | CAM | CAG | 119.6° | 120.2° |
| CAM | CAH | H15 | 120.1° | 120.0° |
| CAH | CAJ | CAN | 121.7° | 119.8° |
| CAJ | CAH | H15 | 120.1° | 119.9° |
| CAH | CAJ | H16 | 119.1° | 120.1° |
| CAM | CAG | CAI | 119.9° | 120.1° |
| CAM | CAG | H13 | 120.1° | 119.9° |
| CAA | CAK | CAR | 111.9° | 109.5° |
| CAK | CAA | H1 | 109.5° | 109.4° |
| CAK | CAA | H2 | 109.5° | 109.5° |
| CAK | CAA | H3 | 109.5° | 109.5° |
| CAA | CAK | H4 | 108.9° | 109.5° |
| CAA | CAK | H5 | 108.9° | 109.5° |
| CAJ | CAN | CAI | 117.6° | 119.8° |
| CAJ | CAN | CAF | 127.3° | 120.1° |
| CAN | CAJ | H16 | 119.2° | 120.1° |
| CAG | CAI | CAN | 121.5° | 119.9° |
| CAG | CAI | H12 | 119.2° | 120.1° |
| CAI | CAG | H13 | 120.0° | 119.9° |
| OAC | CAO | CAQ | 125.2° | 122.6° |
| OAC | CAO | NAS | 120.3° | 122.4° |
| CAK | CAR | CAB | 109.7° | 109.5° |
| CAK | CAR | NAS | 113.7° | 109.4° |
| CAR | CAK | H4 | 108.9° | 109.4° |
| CAR | CAK | H5 | 108.9° | 109.4° |
| CAK | CAR | H6 | 106.5° | 109.5° |
| CAI | CAN | CAF | 115.1° | 120.1° |
| CAN | CAI | H12 | 119.2° | 120.1° |
| CAN | CAF | CAQ | 129.0° | 120.1° |
| CAN | CAF | H10 | 115.5° | 120.0° |
| CAQ | CAO | NAS | 114.5° | 115.0° |
| CAO | CAQ | CAF | 135.9° | 127.9° |
| CAO | CAQ | SAL | 106.8° | 104.1° |
| CAO | NAS | CAR | 131.9° | 120.3° |
| CAO | NAS | CAP | 111.9° | 119.5° |
| CAB | CAR | NAS | 113.0° | 109.5° |
| CAB | CAR | H6 | 106.6° | 109.5° |
| CAR | CAB | H7 | 109.5° | 109.5° |
| CAR | CAB | H8 | 109.5° | 109.4° |
| CAR | CAB | H9 | 109.4° | 109.5° |
| CAF | CAQ | SAL | 117.3° | 128.0° |
| CAQ | CAF | H10 | 115.5° | 119.9° |
| CAR | NAS | CAP | 116.3° | 120.2° |
| NAS | CAR | H6 | 106.9° | 109.4° |
| CAQ | SAL | CAP | 96.7° | 94.6° |
| NAS | CAP | SAL | 110.2° | 106.9° |
| NAS | CAP | SAE | 125.3° | 126.6° |
| SAL | CAP | SAE | 124.5° | 126.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAK | H5 | 109.4° | 109.5° |
| H7 | CAB | H8 | 109.4° | 109.5° |
| H7 | CAB | H9 | 109.4° | 109.5° |
| H8 | CAB | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAM | CAH | CAG | 180.0° | 180.0° |
| OAD | CAM | CAH | CAJ | 179.9° | 179.7° |
| OAD | CAM | CAG | CAI | 179.9° | 180.0° |
| OAD | CAM | CAG | H13 | 0.1° | 0.1° |
| OAD | CAM | CAH | H15 | 0.1° | 0.0° |
| CAM | CAH | CAJ | H15 | 180.0° | 179.7° |
| CAM | CAH | CAJ | CAN | 0.4° | 0.5° |
| CAH | CAM | CAG | CAI | 0.0° | 0.0° |
| CAH | CAM | CAG | H13 | 179.9° | 179.9° |
| CAH | CAM | OAD | H14 | 180.0° | 90.0° |
| CAM | CAH | CAJ | H16 | 179.6° | 179.9° |
| CAJ | CAH | CAM | CAG | 0.1° | 0.2° |
| CAH | CAJ | CAN | H16 | 180.0° | 179.6° |
| CAH | CAJ | CAN | CAI | 0.5° | 0.5° |
| CAH | CAJ | CAN | CAF | 179.9° | 179.8° |
| CAM | CAG | CAI | H13 | 180.0° | 180.0° |
| CAM | CAG | CAI | CAN | 0.1° | 0.0° |
| CAM | CAG | CAI | H12 | 179.9° | 179.9° |
| CAG | CAM | OAD | H14 | 0.0° | 90.0° |
| CAG | CAM | CAH | H15 | 179.9° | 180.0° |
| CAA | CAK | CAR | H4 | 120.4° | 120.0° |
| CAA | CAK | CAR | H5 | 120.4° | 120.0° |
| CAA | CAK | CAR | CAB | 66.4° | 175.0° |
| CAA | CAK | CAR | NAS | 61.2° | 65.0° |
| CAK | CAA | H1 | H2 | 120.0° | 120.0° |
| CAK | CAA | H1 | H3 | 120.0° | 120.0° |
| CAK | CAA | H2 | H3 | 120.0° | 120.1° |
| CAA | CAK | H4 | H5 | 118.9° | 120.1° |
| CAA | CAK | CAR | H6 | 178.6° | 54.9° |
| CAJ | CAN | CAI | CAG | 0.4° | 0.3° |
| CAJ | CAN | CAI | CAF | 179.4° | 179.7° |
| CAJ | CAN | CAF | CAQ | 0.4° | 139.5° |
| CAJ | CAN | CAF | H10 | 179.6° | 40.5° |
| CAJ | CAN | CAI | H12 | 179.7° | 179.8° |
| CAN | CAJ | CAH | H15 | 179.6° | 179.8° |
| CAG | CAI | CAN | H12 | 180.0° | 179.9° |
| CAG | CAI | CAN | CAF | 179.8° | 180.0° |
| OAC | CAO | CAQ | NAS | 179.5° | 179.9° |
| OAC | CAO | CAQ | CAF | 0.1° | 0.0° |
| OAC | CAO | NAS | CAR | 0.6° | 0.0° |
| OAC | CAO | CAQ | SAL | 179.7° | 179.8° |
| OAC | CAO | NAS | CAP | 179.8° | 179.7° |
| CAK | CAR | NAS | CAO | 83.3° | 120.2° |
| CAK | CAR | CAB | NAS | 128.0° | 120.0° |
| CAK | CAR | CAB | H6 | 114.9° | 120.0° |
| CAK | CAR | NAS | H6 | 117.2° | 119.9° |
| CAK | CAR | NAS | CAP | 97.2° | 60.0° |
| CAR | CAK | CAA | H1 | 180.0° | 180.0° |
| CAR | CAK | CAA | H2 | 60.0° | 60.0° |
| CAR | CAK | CAA | H3 | 60.0° | 60.0° |
| CAR | CAK | H4 | H5 | 118.9° | 119.9° |
| CAK | CAR | CAB | H7 | 180.0° | 60.0° |
| CAK | CAR | CAB | H8 | 60.0° | 180.0° |
| CAK | CAR | CAB | H9 | 60.0° | 60.1° |
| CAI | CAN | CAF | CAQ | 178.9° | 40.8° |
| CAI | CAN | CAF | H10 | 1.1° | 139.2° |
| CAN | CAI | CAG | H13 | 179.9° | 179.9° |
| CAI | CAN | CAJ | H16 | 179.5° | 179.9° |
| CAN | CAF | CAQ | CAO | 0.1° | 8.1° |
| CAN | CAF | CAQ | H10 | 180.0° | 180.0° |
| CAN | CAF | CAQ | SAL | 179.9° | 171.7° |
| CAF | CAN | CAI | H12 | 0.2° | 0.1° |
| CAF | CAN | CAJ | H16 | 0.2° | 0.2° |
| CAO | CAQ | CAF | SAL | 179.8° | 179.8° |
| CAQ | CAO | NAS | CAR | 179.9° | 180.0° |
| CAQ | CAO | NAS | CAP | 0.3° | 0.3° |
| CAO | CAQ | SAL | CAP | 0.1° | 0.0° |
| CAO | CAQ | CAF | H10 | 179.9° | 171.9° |
| CAO | NAS | CAR | CAB | 42.6° | 119.8° |
| NAS | CAO | CAQ | CAF | 179.6° | 180.0° |
| CAO | NAS | CAR | CAP | 179.5° | 179.7° |
| NAS | CAO | CAQ | SAL | 0.2° | 0.1° |
| CAO | NAS | CAP | SAL | 0.2° | 0.3° |
| CAO | NAS | CAP | SAE | 179.8° | 179.8° |
| CAO | NAS | CAR | H6 | 159.5° | 0.3° |
| CAB | CAR | NAS | H6 | 116.9° | 120.1° |
| CAB | CAR | NAS | CAP | 136.9° | 59.9° |
| CAB | CAR | CAK | H4 | 173.2° | 55.0° |
| CAB | CAR | CAK | H5 | 54.0° | 65.0° |
| CAR | CAB | H7 | H8 | 120.0° | 120.0° |
| CAR | CAB | H7 | H9 | 120.0° | 120.0° |
| CAR | CAB | H8 | H9 | 120.0° | 120.0° |
| CAF | CAQ | SAL | CAP | 179.8° | 179.8° |
| CAR | NAS | CAP | SAL | 179.9° | 180.0° |
| CAR | NAS | CAP | SAE | 0.2° | 0.1° |
| NAS | CAR | CAK | H4 | 59.2° | 175.0° |
| NAS | CAR | CAK | H5 | 178.4° | 55.0° |
| NAS | CAR | CAB | H7 | 52.0° | 60.0° |
| NAS | CAR | CAB | H8 | 172.0° | 60.0° |
| NAS | CAR | CAB | H9 | 68.0° | 180.0° |
| CAQ | SAL | CAP | NAS | 0.1° | 0.2° |
| CAQ | SAL | CAP | SAE | 179.9° | 179.9° |
| SAL | CAQ | CAF | H10 | 0.0° | 8.3° |
| NAS | CAP | SAL | SAE | 180.0° | 179.9° |
| CAP | NAS | CAR | H6 | 20.0° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAK | H4 | 59.6° | 60.0° |
| H1 | CAA | CAK | H5 | 59.6° | 60.0° |
| H2 | CAA | CAK | H4 | 60.4° | 59.9° |
| H2 | CAA | CAK | H5 | 179.6° | 180.0° |
| H3 | CAA | CAK | H4 | 179.6° | 180.0° |
| H3 | CAA | CAK | H5 | 60.4° | 59.9° |
| H4 | CAK | CAR | H6 | 58.3° | 65.1° |
| H5 | CAK | CAR | H6 | 61.0° | 174.9° |
| H6 | CAR | CAB | H7 | 65.1° | 180.0° |
| H6 | CAR | CAB | H8 | 54.9° | 60.0° |
| H6 | CAR | CAB | H9 | 174.9° | 60.0° |
| H7 | CAB | H8 | H9 | 120.0° | 120.1° |
| H12 | CAI | CAG | H13 | 0.0° | 0.1° |
| H15 | CAH | CAJ | H16 | 0.4° | 0.2° |
