38B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | NAJ | sing | 1.21Å | 1.47Å | Aromatic |
| OAE | CAD | sing | 1.34Å | 1.33Å | Aromatic |
| NAJ | CAI | doub | 1.31Å | 1.34Å | Aromatic |
| OAR | CAS | sing | 1.43Å | 1.48Å | |
| OAR | CAO | sing | 1.36Å | 1.38Å | |
| CAD | NAC | sing | 1.34Å | 1.36Å | |
| CAD | CAH | doub | 1.40Å | 1.44Å | Aromatic |
| NAC | CAB | doub | 1.31Å | 1.34Å | |
| CAI | CAH | sing | 1.47Å | 1.43Å | Aromatic |
| CAI | CAL | sing | 1.48Å | 1.38Å | |
| CAO | CAL | doub | 1.40Å | 1.42Å | Aromatic |
| CAO | CAP | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | CAG | sing | 1.41Å | 1.41Å | |
| CAL | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.51Å | 1.53Å | |
| CAB | NAF | sing | 1.36Å | 1.40Å | |
| CAP | CAQ | doub | 1.38Å | 1.41Å | Aromatic |
| CAM | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | NAF | sing | 1.35Å | 1.42Å | |
| CAG | OAK | doub | 1.22Å | 1.25Å | |
| CAQ | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| NAF | H4 | sing | 0.97Å | 1.00Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAN | H6 | sing | 1.08Å | 1.08Å | |
| CAQ | H7 | sing | 1.08Å | 1.08Å | |
| CAP | H8 | sing | 1.08Å | 1.08Å | |
| CAS | H9 | sing | 1.09Å | 1.10Å | |
| CAS | H10 | sing | 1.09Å | 1.10Å | |
| CAS | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAJ | OAE | CAD | 108.9° | 113.3° |
| OAE | NAJ | CAI | 108.3° | 113.0° |
| OAE | CAD | NAC | 128.4° | 135.6° |
| OAE | CAD | CAH | 107.2° | 105.5° |
| NAJ | CAI | CAH | 107.5° | 105.0° |
| NAJ | CAI | CAL | 127.1° | 127.5° |
| CAS | OAR | CAO | 117.0° | 117.0° |
| OAR | CAS | H9 | 109.5° | 109.5° |
| OAR | CAS | H10 | 109.4° | 109.5° |
| OAR | CAS | H11 | 109.4° | 109.5° |
| OAR | CAO | CAL | 122.0° | 120.1° |
| OAR | CAO | CAP | 119.3° | 120.1° |
| NAC | CAD | CAH | 124.4° | 118.8° |
| CAD | NAC | CAB | 117.1° | 121.3° |
| CAD | CAH | CAI | 108.2° | 103.3° |
| CAD | CAH | CAG | 118.3° | 119.3° |
| NAC | CAB | CAA | 119.1° | 118.7° |
| NAC | CAB | NAF | 121.9° | 122.6° |
| CAH | CAI | CAL | 125.3° | 127.5° |
| CAI | CAH | CAG | 133.5° | 137.4° |
| CAI | CAL | CAO | 121.0° | 120.2° |
| CAI | CAL | CAM | 117.9° | 120.1° |
| CAL | CAO | CAP | 118.7° | 119.8° |
| CAO | CAL | CAM | 121.0° | 119.7° |
| CAO | CAP | CAQ | 119.4° | 120.0° |
| CAO | CAP | H8 | 120.3° | 120.0° |
| CAH | CAG | NAF | 115.4° | 117.9° |
| CAH | CAG | OAK | 122.9° | 121.0° |
| CAL | CAM | CAN | 119.6° | 119.9° |
| CAL | CAM | H5 | 120.2° | 120.0° |
| CAA | CAB | NAF | 118.8° | 118.7° |
| CAB | CAA | H1 | 109.5° | 109.5° |
| CAB | CAA | H2 | 109.5° | 109.5° |
| CAB | CAA | H3 | 109.5° | 109.4° |
| CAB | NAF | CAG | 122.8° | 120.1° |
| CAB | NAF | H4 | 118.6° | 119.9° |
| CAP | CAQ | CAN | 121.3° | 120.3° |
| CAP | CAQ | H7 | 119.4° | 119.8° |
| CAQ | CAP | H8 | 120.3° | 120.0° |
| CAM | CAN | CAQ | 120.0° | 120.3° |
| CAN | CAM | H5 | 120.2° | 120.1° |
| CAM | CAN | H6 | 120.0° | 119.8° |
| NAF | CAG | OAK | 121.7° | 121.1° |
| CAG | NAF | H4 | 118.6° | 120.0° |
| CAQ | CAN | H6 | 120.0° | 119.9° |
| CAN | CAQ | H7 | 119.4° | 119.8° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H9 | CAS | H10 | 109.4° | 109.5° |
| H9 | CAS | H11 | 109.5° | 109.5° |
| H10 | CAS | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAJ | OAE | CAD | NAC | 179.5° | 179.9° |
| NAJ | OAE | CAD | CAH | 1.7° | 0.0° |
| OAE | NAJ | CAI | CAH | 1.2° | 0.2° |
| OAE | NAJ | CAI | CAL | 178.1° | 179.9° |
| CAD | OAE | NAJ | CAI | 0.3° | 0.1° |
| OAE | CAD | NAC | CAH | 178.6° | 179.9° |
| OAE | CAD | NAC | CAB | 176.3° | 180.0° |
| OAE | CAD | CAH | CAI | 2.4° | 0.1° |
| OAE | CAD | CAH | CAG | 178.4° | 179.7° |
| NAJ | CAI | CAH | CAD | 2.2° | 0.2° |
| NAJ | CAI | CAH | CAL | 176.9° | 179.7° |
| NAJ | CAI | CAL | CAO | 59.4° | 46.7° |
| NAJ | CAI | CAH | CAG | 178.7° | 179.6° |
| NAJ | CAI | CAL | CAM | 122.0° | 133.0° |
| CAS | OAR | CAO | CAL | 146.7° | 180.0° |
| CAS | OAR | CAO | CAP | 32.1° | 0.3° |
| OAR | CAS | H9 | H10 | 120.0° | 120.0° |
| OAR | CAS | H9 | H11 | 120.0° | 120.0° |
| OAR | CAS | H10 | H11 | 120.0° | 120.0° |
| OAR | CAO | CAL | CAI | 0.2° | 0.0° |
| OAR | CAO | CAL | CAP | 178.8° | 179.7° |
| OAR | CAO | CAL | CAM | 178.7° | 179.7° |
| OAR | CAO | CAP | CAQ | 178.4° | 179.7° |
| OAR | CAO | CAP | H8 | 1.6° | 0.0° |
| CAO | OAR | CAS | H9 | 180.0° | 60.0° |
| CAO | OAR | CAS | H10 | 60.0° | 60.1° |
| CAO | OAR | CAS | H11 | 60.0° | 180.0° |
| NAC | CAD | CAH | CAI | 178.7° | 179.8° |
| NAC | CAD | CAH | CAG | 0.5° | 0.3° |
| CAD | NAC | CAB | CAA | 179.0° | 179.9° |
| CAD | NAC | CAB | NAF | 3.4° | 0.2° |
| CAH | CAD | NAC | CAB | 2.3° | 0.1° |
| CAD | CAH | CAI | CAG | 179.0° | 179.8° |
| CAD | CAH | CAI | CAL | 179.2° | 179.9° |
| CAD | CAH | CAG | NAF | 0.2° | 0.3° |
| CAD | CAH | CAG | OAK | 177.4° | 179.8° |
| NAC | CAB | CAA | NAF | 175.7° | 179.7° |
| NAC | CAB | NAF | CAG | 2.9° | 0.2° |
| NAC | CAB | CAA | H1 | 0.0° | 89.8° |
| NAC | CAB | CAA | H2 | 120.0° | 30.3° |
| NAC | CAB | CAA | H3 | 120.0° | 150.3° |
| NAC | CAB | NAF | H4 | 177.2° | 179.7° |
| CAH | CAI | CAL | CAO | 116.9° | 132.9° |
| CAH | CAI | CAL | CAM | 61.7° | 47.4° |
| CAI | CAH | CAG | NAF | 179.2° | 179.9° |
| CAI | CAH | CAG | OAK | 1.5° | 0.0° |
| CAI | CAL | CAO | CAM | 178.6° | 179.7° |
| CAI | CAL | CAO | CAP | 178.7° | 179.7° |
| CAL | CAI | CAH | CAG | 1.8° | 0.1° |
| CAI | CAL | CAM | CAN | 178.8° | 179.9° |
| CAI | CAL | CAM | H5 | 1.2° | 0.0° |
| CAL | CAO | CAP | CAQ | 0.5° | 0.6° |
| CAO | CAL | CAM | CAN | 0.2° | 0.2° |
| CAO | CAL | CAM | H5 | 179.8° | 179.7° |
| CAL | CAO | CAP | H8 | 179.6° | 179.7° |
| CAP | CAO | CAL | CAM | 0.1° | 0.6° |
| CAO | CAP | CAQ | H8 | 180.0° | 179.7° |
| CAO | CAP | CAQ | CAN | 1.0° | 0.3° |
| CAO | CAP | CAQ | H7 | 179.1° | 179.7° |
| CAH | CAG | NAF | CAB | 0.9° | 0.0° |
| CAH | CAG | NAF | OAK | 177.7° | 179.9° |
| CAH | CAG | NAF | H4 | 179.1° | 180.0° |
| CAL | CAM | CAN | H5 | 180.0° | 180.0° |
| CAL | CAM | CAN | CAQ | 0.7° | 0.0° |
| CAL | CAM | CAN | H6 | 179.3° | 180.0° |
| CAA | CAB | NAF | CAG | 178.5° | 179.9° |
| CAB | CAA | H1 | H2 | 120.0° | 120.1° |
| CAB | CAA | H1 | H3 | 120.0° | 120.0° |
| CAB | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAB | NAF | H4 | 1.5° | 0.0° |
| CAB | NAF | CAG | H4 | 180.0° | 179.9° |
| CAB | NAF | CAG | OAK | 178.6° | 180.0° |
| NAF | CAB | CAA | H1 | 175.8° | 89.9° |
| NAF | CAB | CAA | H2 | 64.2° | 150.0° |
| NAF | CAB | CAA | H3 | 55.8° | 30.0° |
| CAP | CAQ | CAN | CAM | 1.1° | 0.0° |
| CAP | CAQ | CAN | H7 | 180.0° | 179.9° |
| CAP | CAQ | CAN | H6 | 178.9° | 180.0° |
| CAM | CAN | CAQ | H6 | 180.0° | 180.0° |
| CAM | CAN | CAQ | H7 | 178.9° | 179.9° |
| OAK | CAG | NAF | H4 | 1.5° | 0.1° |
| CAQ | CAN | CAM | H5 | 179.3° | 180.0° |
| CAN | CAQ | CAP | H8 | 179.1° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H5 | CAM | CAN | H6 | 0.7° | 0.0° |
| H6 | CAN | CAQ | H7 | 1.1° | 0.0° |
| H7 | CAQ | CAP | H8 | 0.9° | 0.0° |
| H9 | CAS | H10 | H11 | 120.0° | 120.0° |
