5M5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAW | CAV | sing | 1.37Å | 1.47Å | |
| CAV | OAU | sing | 1.35Å | 1.33Å | |
| CAV | CAX | doub | 1.35Å | 1.50Å | |
| OAU | CAT | sing | 1.36Å | 1.35Å | |
| NAZ | CAY | trip | 1.14Å | 1.13Å | |
| CAY | CAX | sing | 1.43Å | 1.52Å | |
| CAX | CAN | sing | 1.51Å | 1.54Å | |
| CAT | NAS | sing | 1.34Å | 1.43Å | Aromatic |
| CAT | CAO | doub | 1.37Å | 1.49Å | Aromatic |
| NAS | NAR | sing | 1.40Å | 1.38Å | Aromatic |
| CBC | CBA | sing | 1.53Å | 1.53Å | |
| CAN | CAO | sing | 1.51Å | 1.56Å | |
| CAN | CBA | sing | 1.53Å | 1.56Å | |
| CAN | CAM | sing | 1.51Å | 1.50Å | |
| CAO | CAP | sing | 1.39Å | 1.32Å | Aromatic |
| CBA | CBB | sing | 1.53Å | 1.53Å | |
| NAR | CAP | doub | 1.31Å | 1.31Å | Aromatic |
| CAM | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CBD | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAH | doub | 1.38Å | 1.53Å | Aromatic |
| CAG | CAF | sing | 1.39Å | 1.31Å | Aromatic |
| CAP | CAQ | sing | 1.51Å | 1.54Å | |
| CAH | CAI | sing | 1.38Å | 1.31Å | Aromatic |
| CBD | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | CAF | sing | 1.48Å | 1.53Å | |
| CAE | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAK | doub | 1.39Å | 1.52Å | Aromatic |
| CAI | CAJ | doub | 1.38Å | 1.52Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CAC | CAB | sing | 1.51Å | 1.53Å | |
| CAK | CAJ | sing | 1.38Å | 1.32Å | Aromatic |
| CAB | OAA | sing | 1.43Å | 1.39Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CBA | H4 | sing | 1.09Å | 1.10Å | |
| CBB | H5 | sing | 1.09Å | 1.10Å | |
| CBB | H6 | sing | 1.09Å | 1.10Å | |
| CBB | H7 | sing | 1.09Å | 1.10Å | |
| CBC | H8 | sing | 1.09Å | 1.10Å | |
| CBC | H9 | sing | 1.09Å | 1.10Å | |
| CBC | H10 | sing | 1.09Å | 1.10Å | |
| CBD | H11 | sing | 1.08Å | 1.08Å | |
| CAG | H12 | sing | 1.08Å | 1.08Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| CAJ | H15 | sing | 1.08Å | 1.08Å | |
| CAK | H16 | sing | 1.08Å | 1.08Å | |
| CAL | H17 | sing | 1.08Å | 1.08Å | |
| CAQ | H18 | sing | 1.09Å | 1.10Å | |
| CAQ | H19 | sing | 1.09Å | 1.10Å | |
| CAQ | H20 | sing | 1.09Å | 1.10Å | |
| NAW | H24 | sing | 0.97Å | 1.00Å | |
| NAW | H25 | sing | 0.97Å | 1.00Å | |
| OAA | H27 | sing | 0.97Å | 0.95Å | |
| NAS | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAW | CAV | OAU | 113.2° | 118.1° |
| NAW | CAV | CAX | 117.9° | 118.0° |
| CAV | NAW | H24 | 109.5° | 119.9° |
| CAV | NAW | H25 | 109.4° | 120.0° |
| OAU | CAV | CAX | 116.2° | 123.9° |
| CAV | OAU | CAT | 121.6° | 117.6° |
| CAV | CAX | CAY | 118.2° | 118.8° |
| CAV | CAX | CAN | 122.5° | 122.4° |
| OAU | CAT | NAS | 127.8° | 129.7° |
| OAU | CAT | CAO | 127.1° | 122.7° |
| NAZ | CAY | CAX | 177.6° | 180.0° |
| CAY | CAX | CAN | 119.2° | 118.8° |
| CAX | CAN | CAO | 108.7° | 108.2° |
| CAX | CAN | CBA | 107.0° | 109.7° |
| CAX | CAN | CAM | 105.8° | 109.8° |
| NAS | CAT | CAO | 105.1° | 107.6° |
| CAT | NAS | NAR | 105.3° | 107.8° |
| CAT | NAS | H21 | 127.3° | 126.0° |
| CAT | CAO | CAN | 116.2° | 122.7° |
| CAT | CAO | CAP | 106.0° | 108.0° |
| NAS | NAR | CAP | 112.0° | 108.4° |
| NAR | NAS | H21 | 127.3° | 126.1° |
| CBC | CBA | CAN | 113.9° | 109.5° |
| CBC | CBA | CBB | 104.7° | 109.5° |
| CBC | CBA | H4 | 107.4° | 109.5° |
| CBA | CBC | H8 | 109.5° | 109.5° |
| CBA | CBC | H9 | 109.5° | 109.5° |
| CBA | CBC | H10 | 109.5° | 109.5° |
| CAO | CAN | CBA | 111.6° | 109.7° |
| CAO | CAN | CAM | 110.0° | 109.7° |
| CAN | CAO | CAP | 137.8° | 129.3° |
| CBA | CAN | CAM | 113.5° | 109.8° |
| CAN | CBA | CBB | 116.1° | 109.5° |
| CAN | CBA | H4 | 107.0° | 109.5° |
| CAN | CAM | CAL | 120.2° | 119.9° |
| CAN | CAM | CBD | 121.5° | 120.0° |
| CAO | CAP | NAR | 111.6° | 108.1° |
| CAO | CAP | CAQ | 127.8° | 125.9° |
| CBB | CBA | H4 | 107.3° | 109.4° |
| CBA | CBB | H5 | 109.5° | 109.5° |
| CBA | CBB | H6 | 109.5° | 109.5° |
| CBA | CBB | H7 | 109.5° | 109.5° |
| NAR | CAP | CAQ | 120.5° | 126.0° |
| CAL | CAM | CBD | 118.3° | 120.1° |
| CAM | CAL | CAE | 119.7° | 119.9° |
| CAM | CAL | H17 | 120.1° | 120.0° |
| CAM | CBD | CAC | 122.1° | 120.3° |
| CAM | CBD | H11 | 119.0° | 119.9° |
| CAL | CAE | CAF | 119.8° | 120.1° |
| CAL | CAE | CAD | 121.1° | 119.8° |
| CAE | CAL | H17 | 120.2° | 120.1° |
| CAH | CAG | CAF | 120.8° | 119.9° |
| CAG | CAH | CAI | 120.1° | 120.1° |
| CAH | CAG | H12 | 119.6° | 120.0° |
| CAG | CAH | H13 | 119.9° | 119.9° |
| CAG | CAF | CAE | 119.6° | 120.2° |
| CAG | CAF | CAK | 119.0° | 119.7° |
| CAF | CAG | H12 | 119.6° | 120.0° |
| CAP | CAQ | H18 | 109.5° | 109.4° |
| CAP | CAQ | H19 | 109.5° | 109.5° |
| CAP | CAQ | H20 | 109.4° | 109.5° |
| CAH | CAI | CAJ | 119.1° | 120.3° |
| CAI | CAH | H13 | 119.9° | 120.0° |
| CAH | CAI | H14 | 120.4° | 119.8° |
| CBD | CAC | CAD | 119.6° | 120.1° |
| CBD | CAC | CAB | 118.9° | 119.9° |
| CAC | CBD | H11 | 118.9° | 119.9° |
| CAF | CAE | CAD | 118.8° | 120.1° |
| CAE | CAF | CAK | 121.2° | 120.1° |
| CAE | CAD | CAC | 119.1° | 119.9° |
| CAE | CAD | H3 | 120.5° | 120.1° |
| CAF | CAK | CAJ | 120.0° | 119.9° |
| CAF | CAK | H16 | 120.0° | 120.1° |
| CAI | CAJ | CAK | 120.8° | 120.1° |
| CAJ | CAI | H14 | 120.5° | 119.9° |
| CAI | CAJ | H15 | 119.6° | 119.9° |
| CAD | CAC | CAB | 121.5° | 120.0° |
| CAC | CAD | H3 | 120.4° | 120.0° |
| CAC | CAB | OAA | 108.9° | 109.5° |
| CAC | CAB | H1 | 109.6° | 109.5° |
| CAC | CAB | H2 | 109.6° | 109.5° |
| CAK | CAJ | H15 | 119.6° | 120.0° |
| CAJ | CAK | H16 | 120.0° | 120.0° |
| OAA | CAB | H1 | 109.6° | 109.5° |
| OAA | CAB | H2 | 109.6° | 109.4° |
| CAB | OAA | H27 | 109.5° | 114.0° |
| H1 | CAB | H2 | 109.5° | 109.4° |
| H5 | CBB | H6 | 109.5° | 109.5° |
| H5 | CBB | H7 | 109.4° | 109.5° |
| H6 | CBB | H7 | 109.4° | 109.4° |
| H8 | CBC | H9 | 109.5° | 109.4° |
| H8 | CBC | H10 | 109.5° | 109.4° |
| H9 | CBC | H10 | 109.5° | 109.5° |
| H18 | CAQ | H19 | 109.4° | 109.5° |
| H18 | CAQ | H20 | 109.5° | 109.5° |
| H19 | CAQ | H20 | 109.5° | 109.5° |
| H24 | NAW | H25 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAW | CAV | OAU | CAX | 141.1° | 179.9° |
| NAW | CAV | OAU | CAT | 158.7° | 166.5° |
| NAW | CAV | CAX | CAY | 1.8° | 0.2° |
| NAW | CAV | CAX | CAN | 173.4° | 179.8° |
| CAV | NAW | H24 | H25 | 120.0° | 180.0° |
| OAU | CAV | CAX | CAY | 141.1° | 179.8° |
| OAU | CAV | CAX | CAN | 34.1° | 0.2° |
| CAV | OAU | CAT | NAS | 177.7° | 166.5° |
| CAV | OAU | CAT | CAO | 0.9° | 13.4° |
| OAU | CAV | NAW | H24 | 0.0° | 0.0° |
| OAU | CAV | NAW | H25 | 120.0° | 180.0° |
| CAX | CAV | OAU | CAT | 17.6° | 13.5° |
| CAV | CAX | CAY | NAZ | 172.8° | 108.0° |
| CAV | CAX | CAY | CAN | 175.4° | 180.0° |
| CAV | CAX | CAN | CAO | 29.7° | 12.2° |
| CAV | CAX | CAN | CBA | 91.0° | 131.8° |
| CAV | CAX | CAN | CAM | 147.7° | 107.5° |
| CAX | CAV | NAW | H24 | 140.4° | 180.0° |
| CAX | CAV | NAW | H25 | 99.6° | 0.0° |
| OAU | CAT | NAS | CAO | 178.9° | 180.0° |
| OAU | CAT | NAS | NAR | 179.5° | 179.8° |
| OAU | CAT | CAO | CAN | 1.5° | 0.2° |
| OAU | CAT | CAO | CAP | 179.6° | 179.8° |
| OAU | CAT | NAS | H21 | 0.5° | 0.1° |
| NAZ | CAY | CAX | CAN | 2.5° | 72.0° |
| CAY | CAX | CAN | CAO | 145.5° | 167.8° |
| CAY | CAX | CAN | CBA | 93.9° | 48.2° |
| CAY | CAX | CAN | CAM | 27.4° | 72.5° |
| CAX | CAN | CAO | CAT | 11.9° | 12.1° |
| CAX | CAN | CBA | CBC | 58.0° | 62.5° |
| CAX | CAN | CAO | CBA | 117.7° | 119.6° |
| CAX | CAN | CAO | CAM | 115.4° | 119.7° |
| CAX | CAN | CBA | CAM | 116.3° | 120.7° |
| CAX | CAN | CAO | CAP | 166.5° | 167.9° |
| CAX | CAN | CBA | CBB | 179.8° | 57.6° |
| CAX | CAN | CAM | CAL | 79.3° | 51.2° |
| CAX | CAN | CAM | CBD | 99.0° | 127.9° |
| CAX | CAN | CBA | H4 | 60.5° | 177.5° |
| CAT | NAS | NAR | H21 | 180.0° | 179.9° |
| NAS | CAT | CAO | CAN | 179.6° | 179.9° |
| NAS | CAT | CAO | CAP | 0.6° | 0.1° |
| CAT | NAS | NAR | CAP | 0.3° | 0.1° |
| CAO | CAT | NAS | NAR | 0.5° | 0.1° |
| CAT | CAO | CAN | CAP | 178.5° | 180.0° |
| CAT | CAO | CAN | CBA | 105.8° | 131.7° |
| CAT | CAO | CAN | CAM | 127.3° | 107.6° |
| CAT | CAO | CAP | NAR | 0.5° | 0.1° |
| CAT | CAO | CAP | CAQ | 178.8° | 180.0° |
| CAO | CAT | NAS | H21 | 179.4° | 179.9° |
| NAS | NAR | CAP | CAO | 0.1° | 0.0° |
| NAS | NAR | CAP | CAQ | 179.2° | 180.0° |
| CBC | CBA | CAN | CAO | 60.7° | 56.2° |
| CBC | CBA | CAN | CBB | 121.8° | 120.1° |
| CBC | CBA | CAN | H4 | 118.5° | 120.0° |
| CBC | CBA | CAN | CAM | 174.3° | 176.8° |
| CBC | CBA | CBB | H4 | 113.9° | 120.0° |
| CBC | CBA | CBB | H5 | 180.0° | 81.2° |
| CBC | CBA | CBB | H6 | 60.0° | 158.8° |
| CBC | CBA | CBB | H7 | 60.0° | 38.8° |
| CBA | CBC | H8 | H9 | 120.0° | 120.0° |
| CBA | CBC | H8 | H10 | 120.0° | 120.0° |
| CBA | CBC | H9 | H10 | 120.0° | 120.1° |
| CAO | CAN | CBA | CAM | 124.9° | 120.6° |
| CAO | CAN | CBA | CBB | 61.0° | 176.3° |
| CAN | CAO | CAP | NAR | 179.0° | 179.9° |
| CAO | CAN | CAM | CAL | 37.8° | 67.5° |
| CAO | CAN | CAM | CBD | 143.8° | 113.3° |
| CAN | CAO | CAP | CAQ | 0.3° | 0.0° |
| CAO | CAN | CBA | H4 | 179.2° | 63.8° |
| CBA | CAN | CAO | CAP | 75.7° | 48.2° |
| CAN | CBA | CBB | H4 | 119.6° | 119.9° |
| CBA | CAN | CAM | CAL | 163.7° | 171.9° |
| CBA | CAN | CAM | CBD | 17.9° | 7.3° |
| CAN | CBA | CBB | H5 | 53.5° | 158.7° |
| CAN | CBA | CBB | H6 | 173.5° | 38.7° |
| CAN | CBA | CBB | H7 | 66.5° | 81.3° |
| CAN | CBA | CBC | H8 | 180.0° | 60.0° |
| CAN | CBA | CBC | H9 | 60.0° | 60.0° |
| CAN | CBA | CBC | H10 | 60.0° | 180.0° |
| CAM | CAN | CAO | CAP | 51.1° | 72.4° |
| CAM | CAN | CBA | CBB | 63.9° | 63.1° |
| CAN | CAM | CAL | CBD | 178.4° | 179.2° |
| CAN | CAM | CAL | CAE | 179.3° | 180.0° |
| CAN | CAM | CBD | CAC | 179.4° | 179.7° |
| CAM | CAN | CBA | H4 | 55.9° | 56.8° |
| CAN | CAM | CBD | H11 | 0.6° | 0.3° |
| CAN | CAM | CAL | H17 | 0.7° | 0.5° |
| CAO | CAP | NAR | CAQ | 179.4° | 180.0° |
| CAO | CAP | CAQ | H18 | 179.3° | 90.0° |
| CAO | CAP | CAQ | H19 | 59.3° | 150.0° |
| CAO | CAP | CAQ | H20 | 60.7° | 29.9° |
| CBA | CBB | H5 | H6 | 120.0° | 120.0° |
| CBA | CBB | H5 | H7 | 120.0° | 120.0° |
| CBA | CBB | H6 | H7 | 120.0° | 120.0° |
| CBB | CBA | CBC | H8 | 52.1° | 60.1° |
| CBB | CBA | CBC | H9 | 172.1° | 180.0° |
| CBB | CBA | CBC | H10 | 67.9° | 59.9° |
| NAR | CAP | CAQ | H18 | 0.0° | 90.0° |
| NAR | CAP | CAQ | H19 | 120.0° | 30.0° |
| NAR | CAP | CAQ | H20 | 120.0° | 150.0° |
| CAP | NAR | NAS | H21 | 179.7° | 180.0° |
| CAM | CAL | CAE | H17 | 180.0° | 179.4° |
| CAL | CAM | CBD | CAC | 1.0° | 0.6° |
| CAM | CAL | CAE | CAF | 178.1° | 179.4° |
| CAM | CAL | CAE | CAD | 3.0° | 0.6° |
| CAL | CAM | CBD | H11 | 179.0° | 179.5° |
| CBD | CAM | CAL | CAE | 2.3° | 0.8° |
| CAM | CBD | CAC | H11 | 180.0° | 180.0° |
| CAM | CBD | CAC | CAD | 0.3° | 0.0° |
| CAM | CBD | CAC | CAB | 179.2° | 179.8° |
| CBD | CAM | CAL | H17 | 177.7° | 179.7° |
| CAL | CAE | CAF | CAG | 6.5° | 0.4° |
| CAL | CAE | CAF | CAD | 175.2° | 180.0° |
| CAL | CAE | CAF | CAK | 178.7° | 180.0° |
| CAL | CAE | CAD | CAC | 2.4° | 0.0° |
| CAL | CAE | CAD | H3 | 177.6° | 180.0° |
| CAH | CAG | CAF | H12 | 180.0° | 179.8° |
| CAG | CAH | CAI | H13 | 180.0° | 180.0° |
| CAH | CAG | CAF | CAE | 177.7° | 180.0° |
| CAH | CAG | CAF | CAK | 2.7° | 0.3° |
| CAG | CAH | CAI | CAJ | 0.8° | 0.1° |
| CAG | CAH | CAI | H14 | 179.2° | 180.0° |
| CAF | CAG | CAH | CAI | 0.9° | 0.1° |
| CAG | CAF | CAE | CAK | 174.9° | 179.7° |
| CAG | CAF | CAE | CAD | 168.7° | 179.7° |
| CAG | CAF | CAK | CAJ | 2.9° | 0.6° |
| CAF | CAG | CAH | H13 | 179.0° | 179.9° |
| CAG | CAF | CAK | H16 | 177.1° | 179.7° |
| CAP | CAQ | H18 | H19 | 120.0° | 120.0° |
| CAP | CAQ | H18 | H20 | 120.0° | 119.9° |
| CAP | CAQ | H19 | H20 | 120.0° | 120.0° |
| CAH | CAI | CAJ | H14 | 180.0° | 180.0° |
| CAH | CAI | CAJ | CAK | 0.6° | 0.3° |
| CAI | CAH | CAG | H12 | 179.1° | 179.9° |
| CAH | CAI | CAJ | H15 | 179.4° | 180.0° |
| CBD | CAC | CAD | CAE | 1.0° | 0.2° |
| CBD | CAC | CAD | CAB | 179.6° | 179.8° |
| CBD | CAC | CAB | OAA | 179.2° | 90.3° |
| CBD | CAC | CAB | H1 | 59.3° | 29.8° |
| CBD | CAC | CAB | H2 | 60.9° | 149.7° |
| CBD | CAC | CAD | H3 | 179.0° | 179.7° |
| CAF | CAE | CAD | CAC | 177.5° | 179.9° |
| CAE | CAF | CAK | CAJ | 177.8° | 179.8° |
| CAF | CAE | CAD | H3 | 2.5° | 0.0° |
| CAE | CAF | CAG | H12 | 2.3° | 0.2° |
| CAE | CAF | CAK | H16 | 2.2° | 0.0° |
| CAF | CAE | CAL | H17 | 1.9° | 0.0° |
| CAD | CAE | CAF | CAK | 6.1° | 0.0° |
| CAE | CAD | CAC | H3 | 180.0° | 180.0° |
| CAE | CAD | CAC | CAB | 178.6° | 180.0° |
| CAD | CAE | CAL | H17 | 177.0° | 180.0° |
| CAF | CAK | CAJ | CAI | 1.2° | 0.6° |
| CAF | CAK | CAJ | H16 | 180.0° | 179.8° |
| CAK | CAF | CAG | H12 | 177.3° | 179.8° |
| CAF | CAK | CAJ | H15 | 178.8° | 179.7° |
| CAI | CAJ | CAK | H15 | 180.0° | 179.7° |
| CAJ | CAI | CAH | H13 | 179.2° | 180.0° |
| CAI | CAJ | CAK | H16 | 178.8° | 179.7° |
| CAD | CAC | CAB | OAA | 1.3° | 89.9° |
| CAD | CAC | CAB | H1 | 121.1° | 150.0° |
| CAD | CAC | CAB | H2 | 118.6° | 30.1° |
| CAD | CAC | CBD | H11 | 179.7° | 180.0° |
| CAC | CAB | OAA | H1 | 119.9° | 120.1° |
| CAC | CAB | OAA | H2 | 119.9° | 120.0° |
| CAC | CAB | H1 | H2 | 120.3° | 120.0° |
| CAB | CAC | CAD | H3 | 1.4° | 0.1° |
| CAB | CAC | CBD | H11 | 0.8° | 0.2° |
| CAC | CAB | OAA | H27 | 180.0° | 180.0° |
| CAK | CAJ | CAI | H14 | 179.4° | 179.7° |
| OAA | CAB | H1 | H2 | 120.2° | 119.9° |
| H1 | CAB | OAA | H27 | 60.1° | 59.9° |
| H2 | CAB | OAA | H27 | 60.1° | 60.0° |
| H4 | CBA | CBB | H5 | 66.1° | 38.7° |
| H4 | CBA | CBB | H6 | 53.9° | 81.3° |
| H4 | CBA | CBB | H7 | 173.9° | 158.8° |
| H4 | CBA | CBC | H8 | 61.8° | NaN° |
| H4 | CBA | CBC | H9 | 58.2° | 60.1° |
| H4 | CBA | CBC | H10 | 178.2° | 60.0° |
| H5 | CBB | H6 | H7 | 120.0° | 120.0° |
| H8 | CBC | H9 | H10 | 120.0° | 119.9° |
| H12 | CAG | CAH | H13 | 1.0° | 0.1° |
| H13 | CAH | CAI | H14 | 0.8° | 0.0° |
| H14 | CAI | CAJ | H15 | 0.6° | 0.0° |
| H15 | CAJ | CAK | H16 | 1.2° | 0.1° |
| H18 | CAQ | H19 | H20 | 120.0° | 120.1° |
