8DW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | NAH | sing | 1.46Å | 1.47Å | |
| NAH | CAI | sing | 1.47Å | 1.44Å | |
| NAH | CAG | sing | 1.35Å | 1.44Å | |
| NAN | CAM | doub | 1.31Å | 1.32Å | Aromatic |
| NAN | CAO | sing | 1.33Å | 1.36Å | Aromatic |
| CAM | CAL | sing | 1.40Å | 1.41Å | Aromatic |
| CAO | NAR | sing | 1.38Å | 1.35Å | Aromatic |
| CAO | CAP | doub | 1.41Å | 1.40Å | Aromatic |
| NAR | CAS | sing | 1.37Å | 1.32Å | Aromatic |
| CAG | CAA | sing | 1.48Å | 1.54Å | |
| CAG | OAK | doub | 1.21Å | 1.24Å | |
| CAF | CAA | doub | 1.40Å | 1.41Å | Aromatic |
| CAF | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | CAE | sing | 1.48Å | 1.53Å | |
| CAL | CAQ | doub | 1.39Å | 1.43Å | Aromatic |
| CAA | CAB | sing | 1.40Å | 1.40Å | Aromatic |
| CAE | CAD | doub | 1.39Å | 1.41Å | Aromatic |
| CAB | NAC | doub | 1.32Å | 1.32Å | Aromatic |
| CAD | NAC | sing | 1.32Å | 1.32Å | Aromatic |
| CAP | CAQ | sing | 1.39Å | 1.42Å | Aromatic |
| CAP | CAT | sing | 1.47Å | 1.44Å | Aromatic |
| CAS | CAT | doub | 1.36Å | 1.41Å | Aromatic |
| CAT | CAU | sing | 1.48Å | 1.53Å | |
| OBA | CBB | sing | 1.43Å | 1.45Å | |
| OBA | CAZ | sing | 1.36Å | 1.43Å | |
| CAU | CAZ | doub | 1.40Å | 1.41Å | Aromatic |
| CAU | CAV | sing | 1.39Å | 1.38Å | Aromatic |
| CAZ | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CAV | CAW | doub | 1.38Å | 1.41Å | Aromatic |
| CAY | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| OBG | SBD | doub | 1.42Å | 1.52Å | |
| FBE | SBD | sing | 1.61Å | 1.55Å | |
| CAW | CAX | sing | 1.39Å | 1.38Å | Aromatic |
| CAW | OBC | sing | 1.36Å | 1.41Å | |
| SBD | OBC | sing | 1.52Å | 1.52Å | |
| SBD | OBF | doub | 1.42Å | 1.49Å | |
| CBB | H1 | sing | 1.09Å | 1.10Å | |
| CBB | H2 | sing | 1.09Å | 1.10Å | |
| CBB | H3 | sing | 1.09Å | 1.10Å | |
| CAY | H4 | sing | 1.08Å | 1.08Å | |
| CAX | H5 | sing | 1.08Å | 1.08Å | |
| CAV | H6 | sing | 1.08Å | 1.08Å | |
| CAQ | H7 | sing | 1.08Å | 1.08Å | |
| CAS | H8 | sing | 1.08Å | 1.08Å | |
| NAR | H9 | sing | 0.97Å | 1.00Å | |
| CAM | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAD | H12 | sing | 1.08Å | 1.08Å | |
| CAB | H13 | sing | 1.08Å | 1.08Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å | |
| CAJ | H15 | sing | 1.09Å | 1.10Å | |
| CAJ | H16 | sing | 1.09Å | 1.10Å | |
| CAI | H17 | sing | 1.09Å | 1.10Å | |
| CAI | H18 | sing | 1.09Å | 1.10Å | |
| CAI | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | NAH | CAI | 118.8° | 120.0° |
| CAJ | NAH | CAG | 122.8° | 120.0° |
| NAH | CAJ | H14 | 109.5° | 109.5° |
| NAH | CAJ | H15 | 109.5° | 109.5° |
| NAH | CAJ | H16 | 109.5° | 109.5° |
| CAI | NAH | CAG | 118.4° | 120.0° |
| NAH | CAI | H17 | 109.5° | 109.4° |
| NAH | CAI | H18 | 109.5° | 109.5° |
| NAH | CAI | H19 | 109.5° | 109.5° |
| NAH | CAG | CAA | 124.2° | 120.0° |
| NAH | CAG | OAK | 120.7° | 120.0° |
| CAM | NAN | CAO | 121.4° | 121.8° |
| NAN | CAM | CAL | 119.6° | 121.4° |
| NAN | CAM | H10 | 120.2° | 119.3° |
| NAN | CAO | NAR | 128.2° | 132.8° |
| NAN | CAO | CAP | 122.9° | 120.0° |
| CAM | CAL | CAE | 120.0° | 120.5° |
| CAM | CAL | CAQ | 121.6° | 119.1° |
| CAL | CAM | H10 | 120.2° | 119.3° |
| NAR | CAO | CAP | 108.9° | 107.2° |
| CAO | NAR | CAS | 110.2° | 110.3° |
| CAO | NAR | H9 | 124.9° | 124.9° |
| CAO | CAP | CAQ | 118.0° | 119.6° |
| CAO | CAP | CAT | 105.9° | 106.2° |
| NAR | CAS | CAT | 109.6° | 109.7° |
| NAR | CAS | H8 | 125.2° | 125.2° |
| CAS | NAR | H9 | 124.9° | 124.8° |
| CAA | CAG | OAK | 115.1° | 120.0° |
| CAG | CAA | CAF | 120.7° | 120.5° |
| CAG | CAA | CAB | 119.0° | 120.6° |
| CAA | CAF | CAE | 115.4° | 118.2° |
| CAF | CAA | CAB | 120.3° | 119.0° |
| CAA | CAF | H11 | 122.3° | 120.9° |
| CAF | CAE | CAL | 119.4° | 120.4° |
| CAF | CAE | CAD | 121.0° | 119.1° |
| CAE | CAF | H11 | 122.3° | 120.9° |
| CAE | CAL | CAQ | 118.4° | 120.4° |
| CAL | CAE | CAD | 119.6° | 120.5° |
| CAL | CAQ | CAP | 116.5° | 117.9° |
| CAL | CAQ | H7 | 121.7° | 121.0° |
| CAA | CAB | NAC | 122.4° | 120.8° |
| CAA | CAB | H13 | 118.8° | 119.5° |
| CAE | CAD | NAC | 121.5° | 120.9° |
| CAE | CAD | H12 | 119.3° | 119.6° |
| CAB | NAC | CAD | 119.5° | 122.0° |
| NAC | CAB | H13 | 118.8° | 119.6° |
| NAC | CAD | H12 | 119.3° | 119.5° |
| CAQ | CAP | CAT | 136.2° | 134.2° |
| CAP | CAQ | H7 | 121.7° | 121.0° |
| CAP | CAT | CAS | 105.4° | 106.6° |
| CAP | CAT | CAU | 129.4° | 126.7° |
| CAS | CAT | CAU | 125.2° | 126.7° |
| CAT | CAS | H8 | 125.2° | 125.1° |
| CAT | CAU | CAZ | 123.5° | 120.1° |
| CAT | CAU | CAV | 117.1° | 120.1° |
| CBB | OBA | CAZ | 114.1° | 117.1° |
| OBA | CBB | H1 | 109.5° | 109.5° |
| OBA | CBB | H2 | 109.5° | 109.5° |
| OBA | CBB | H3 | 109.5° | 109.5° |
| OBA | CAZ | CAU | 121.5° | 120.1° |
| OBA | CAZ | CAY | 118.4° | 120.0° |
| CAZ | CAU | CAV | 119.4° | 119.8° |
| CAU | CAZ | CAY | 120.1° | 119.9° |
| CAU | CAV | CAW | 120.1° | 119.8° |
| CAU | CAV | H6 | 119.9° | 120.1° |
| CAZ | CAY | CAX | 120.2° | 120.1° |
| CAZ | CAY | H4 | 119.9° | 120.0° |
| CAV | CAW | CAX | 120.7° | 120.1° |
| CAV | CAW | OBC | 119.5° | 119.9° |
| CAW | CAV | H6 | 120.0° | 120.1° |
| CAY | CAX | CAW | 119.5° | 120.3° |
| CAX | CAY | H4 | 119.9° | 119.9° |
| CAY | CAX | H5 | 120.3° | 119.8° |
| OBG | SBD | FBE | 108.7° | 106.4° |
| OBG | SBD | OBC | 113.0° | 106.4° |
| OBG | SBD | OBF | 108.8° | 123.1° |
| FBE | SBD | OBC | 107.0° | 107.3° |
| FBE | SBD | OBF | 109.8° | 106.4° |
| CAX | CAW | OBC | 119.7° | 119.9° |
| CAW | CAX | H5 | 120.2° | 119.9° |
| CAW | OBC | SBD | 116.2° | 114.1° |
| OBC | SBD | OBF | 109.4° | 106.5° |
| H1 | CBB | H2 | 109.5° | 109.5° |
| H1 | CBB | H3 | 109.5° | 109.5° |
| H2 | CBB | H3 | 109.5° | 109.4° |
| H14 | CAJ | H15 | 109.5° | 109.5° |
| H14 | CAJ | H16 | 109.5° | 109.4° |
| H15 | CAJ | H16 | 109.5° | 109.4° |
| H17 | CAI | H18 | 109.4° | 109.4° |
| H17 | CAI | H19 | 109.4° | 109.5° |
| H18 | CAI | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | NAH | CAI | CAG | 179.4° | 180.0° |
| CAJ | NAH | CAG | CAA | 1.0° | 8.1° |
| CAJ | NAH | CAG | OAK | 179.6° | 171.9° |
| NAH | CAJ | H14 | H15 | 120.0° | 120.1° |
| NAH | CAJ | H14 | H16 | 120.0° | 120.0° |
| NAH | CAJ | H15 | H16 | 120.0° | 120.0° |
| CAJ | NAH | CAI | H17 | 180.0° | 89.9° |
| CAJ | NAH | CAI | H18 | 60.0° | 30.0° |
| CAJ | NAH | CAI | H19 | 60.0° | 150.0° |
| CAI | NAH | CAG | CAA | 179.6° | 171.9° |
| CAI | NAH | CAG | OAK | 0.2° | 8.0° |
| CAI | NAH | CAJ | H14 | 180.0° | 7.5° |
| CAI | NAH | CAJ | H15 | 60.0° | 127.5° |
| CAI | NAH | CAJ | H16 | 60.0° | 112.5° |
| NAH | CAI | H17 | H18 | 120.0° | 119.9° |
| NAH | CAI | H17 | H19 | 120.0° | 120.0° |
| NAH | CAI | H18 | H19 | 120.0° | 120.0° |
| NAH | CAG | CAA | OAK | 179.4° | 179.9° |
| NAH | CAG | CAA | CAF | 55.0° | 163.5° |
| NAH | CAG | CAA | CAB | 127.8° | 16.6° |
| CAG | NAH | CAJ | H14 | 0.7° | 172.6° |
| CAG | NAH | CAJ | H15 | 119.3° | 52.5° |
| CAG | NAH | CAJ | H16 | 120.6° | 67.5° |
| CAG | NAH | CAI | H17 | 0.6° | 90.1° |
| CAG | NAH | CAI | H18 | 120.6° | 150.0° |
| CAG | NAH | CAI | H19 | 119.3° | 30.0° |
| NAN | CAM | CAL | H10 | 180.0° | 179.7° |
| CAM | NAN | CAO | NAR | 179.3° | 180.0° |
| CAM | NAN | CAO | CAP | 0.2° | 0.0° |
| NAN | CAM | CAL | CAE | 179.8° | 180.0° |
| NAN | CAM | CAL | CAQ | 0.5° | 0.4° |
| CAO | NAN | CAM | CAL | 0.4° | 0.3° |
| NAN | CAO | NAR | CAP | 179.6° | 180.0° |
| NAN | CAO | NAR | CAS | 179.7° | 180.0° |
| NAN | CAO | CAP | CAQ | 0.0° | 0.1° |
| NAN | CAO | CAP | CAT | 179.4° | 179.9° |
| NAN | CAO | NAR | H9 | 0.4° | 0.2° |
| CAO | NAN | CAM | H10 | 179.6° | 180.0° |
| CAM | CAL | CAE | CAF | 46.5° | 0.3° |
| CAM | CAL | CAE | CAQ | 179.4° | 179.6° |
| CAM | CAL | CAE | CAD | 132.9° | 180.0° |
| CAM | CAL | CAQ | CAP | 0.3° | 0.3° |
| CAM | CAL | CAQ | H7 | 179.6° | 179.7° |
| CAO | NAR | CAS | H9 | 180.0° | 179.9° |
| NAR | CAO | CAP | CAQ | 179.5° | 179.9° |
| NAR | CAO | CAP | CAT | 1.0° | 0.2° |
| CAO | NAR | CAS | CAT | 0.2° | 0.1° |
| CAO | NAR | CAS | H8 | 179.8° | 179.9° |
| CAP | CAO | NAR | CAS | 0.8° | 0.1° |
| CAO | CAP | CAQ | CAL | 0.1° | 0.0° |
| CAO | CAP | CAQ | CAT | 179.2° | 180.0° |
| CAO | CAP | CAT | CAS | 0.8° | 0.2° |
| CAO | CAP | CAT | CAU | 179.7° | 180.0° |
| CAO | CAP | CAQ | H7 | 179.9° | 180.0° |
| CAP | CAO | NAR | H9 | 179.2° | 179.8° |
| NAR | CAS | CAT | CAP | 0.4° | 0.2° |
| NAR | CAS | CAT | H8 | 180.0° | 179.9° |
| NAR | CAS | CAT | CAU | 179.4° | 180.0° |
| CAG | CAA | CAF | CAB | 177.1° | 179.9° |
| CAG | CAA | CAF | CAE | 178.4° | 180.0° |
| CAG | CAA | CAB | NAC | 178.9° | 179.8° |
| CAG | CAA | CAF | H11 | 1.6° | 0.1° |
| CAG | CAA | CAB | H13 | 1.1° | 0.1° |
| OAK | CAG | CAA | CAF | 124.4° | 16.4° |
| OAK | CAG | CAA | CAB | 52.8° | 163.4° |
| CAA | CAF | CAE | H11 | 180.0° | 179.9° |
| CAA | CAF | CAE | CAL | 179.4° | 179.9° |
| CAA | CAF | CAE | CAD | 0.0° | 0.2° |
| CAF | CAA | CAB | NAC | 1.7° | 0.4° |
| CAF | CAA | CAB | H13 | 178.3° | 180.0° |
| CAF | CAE | CAL | CAD | 179.4° | 179.7° |
| CAF | CAE | CAL | CAQ | 134.1° | 179.3° |
| CAE | CAF | CAA | CAB | 1.2° | 0.1° |
| CAF | CAE | CAD | NAC | 0.9° | 0.3° |
| CAF | CAE | CAD | H12 | 179.0° | 179.7° |
| CAL | CAE | CAD | NAC | 179.6° | 180.0° |
| CAE | CAL | CAQ | CAP | 179.7° | 179.8° |
| CAE | CAL | CAQ | H7 | 0.3° | 0.2° |
| CAE | CAL | CAM | H10 | 0.1° | 0.3° |
| CAL | CAE | CAF | H11 | 0.6° | 0.0° |
| CAL | CAE | CAD | H12 | 0.4° | 0.0° |
| CAQ | CAL | CAE | CAD | 46.4° | 0.4° |
| CAL | CAQ | CAP | H7 | 180.0° | 180.0° |
| CAL | CAQ | CAP | CAT | 179.1° | 180.0° |
| CAQ | CAL | CAM | H10 | 179.5° | 179.9° |
| CAA | CAB | NAC | H13 | 180.0° | 179.6° |
| CAA | CAB | NAC | CAD | 0.8° | 0.3° |
| CAB | CAA | CAF | H11 | 178.8° | 180.0° |
| CAE | CAD | NAC | CAB | 0.5° | 0.0° |
| CAE | CAD | NAC | H12 | 180.0° | 180.0° |
| CAD | CAE | CAF | H11 | 180.0° | 179.7° |
| CAB | NAC | CAD | H12 | 179.4° | 180.0° |
| CAD | NAC | CAB | H13 | 179.2° | 179.9° |
| CAQ | CAP | CAT | CAS | 179.8° | 179.8° |
| CAQ | CAP | CAT | CAU | 1.0° | 0.0° |
| CAP | CAT | CAS | CAU | 178.9° | 179.8° |
| CAP | CAT | CAU | CAZ | 42.6° | 65.0° |
| CAP | CAT | CAU | CAV | 139.0° | 114.8° |
| CAT | CAP | CAQ | H7 | 0.9° | 0.0° |
| CAP | CAT | CAS | H8 | 179.6° | 179.8° |
| CAS | CAT | CAU | CAZ | 136.1° | 115.3° |
| CAS | CAT | CAU | CAV | 42.3° | 65.0° |
| CAT | CAS | NAR | H9 | 179.8° | 180.0° |
| CAT | CAU | CAZ | OBA | 0.9° | 0.1° |
| CAT | CAU | CAZ | CAV | 178.4° | 179.7° |
| CAT | CAU | CAZ | CAY | 179.3° | 179.7° |
| CAT | CAU | CAV | CAW | 179.2° | 179.8° |
| CAT | CAU | CAV | H6 | 0.8° | 0.0° |
| CAU | CAT | CAS | H8 | 0.7° | 0.0° |
| CBB | OBA | CAZ | CAU | 151.6° | 179.7° |
| CBB | OBA | CAZ | CAY | 28.6° | 0.0° |
| OBA | CBB | H1 | H2 | 120.0° | 120.1° |
| OBA | CBB | H1 | H3 | 120.0° | 120.0° |
| OBA | CBB | H2 | H3 | 120.0° | 120.0° |
| OBA | CAZ | CAU | CAY | 179.9° | 179.7° |
| OBA | CAZ | CAU | CAV | 179.2° | 179.8° |
| OBA | CAZ | CAY | CAX | 179.4° | 180.0° |
| CAZ | OBA | CBB | H1 | 180.0° | 60.0° |
| CAZ | OBA | CBB | H2 | 60.0° | 180.0° |
| CAZ | OBA | CBB | H3 | 60.0° | 60.0° |
| OBA | CAZ | CAY | H4 | 0.6° | 0.1° |
| CAZ | CAU | CAV | CAW | 0.7° | 0.5° |
| CAU | CAZ | CAY | CAX | 0.7° | 0.3° |
| CAU | CAZ | CAY | H4 | 179.3° | 179.8° |
| CAZ | CAU | CAV | H6 | 179.3° | 179.7° |
| CAV | CAU | CAZ | CAY | 0.9° | 0.5° |
| CAU | CAV | CAW | H6 | 180.0° | 179.8° |
| CAU | CAV | CAW | CAX | 0.3° | 0.2° |
| CAU | CAV | CAW | OBC | 179.3° | 179.7° |
| CAZ | CAY | CAX | H4 | 180.0° | 180.0° |
| CAZ | CAY | CAX | CAW | 0.3° | 0.0° |
| CAZ | CAY | CAX | H5 | 179.6° | 179.9° |
| CAV | CAW | CAX | CAY | 0.1° | 0.1° |
| CAV | CAW | CAX | OBC | 178.9° | 179.9° |
| CAV | CAW | OBC | SBD | 52.8° | 90.0° |
| CAV | CAW | CAX | H5 | 179.8° | 180.0° |
| CAY | CAX | CAW | H5 | 180.0° | 179.9° |
| CAY | CAX | CAW | OBC | 179.1° | 179.9° |
| OBG | SBD | FBE | OBC | 122.3° | 113.5° |
| OBG | SBD | FBE | OBF | 119.0° | 132.9° |
| OBG | SBD | OBC | CAW | 33.2° | 32.1° |
| OBG | SBD | OBC | OBF | 121.4° | 132.9° |
| FBE | SBD | OBC | CAW | 86.4° | 81.4° |
| FBE | SBD | OBC | OBF | 119.0° | 113.6° |
| CAX | CAW | OBC | SBD | 126.1° | 89.9° |
| CAW | CAX | CAY | H4 | 179.7° | 179.9° |
| CAX | CAW | CAV | H6 | 179.7° | 180.0° |
| CAW | OBC | SBD | OBF | 154.6° | 165.0° |
| OBC | CAW | CAX | H5 | 0.9° | 0.1° |
| OBC | CAW | CAV | H6 | 0.7° | 0.1° |
| H1 | CBB | H2 | H3 | 120.0° | 120.0° |
| H4 | CAY | CAX | H5 | 0.4° | 0.0° |
| H8 | CAS | NAR | H9 | 0.3° | 0.0° |
| H14 | CAJ | H15 | H16 | 120.0° | 119.9° |
| H17 | CAI | H18 | H19 | 120.0° | 120.1° |
